smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N(C)Cc3cccnc3)C[C@H]2C(C)C)cc1 ZINC000030881883 291535058 /nfs/dbraw/zinc/53/50/58/291535058.db2.gz YDEKQHYVZALAIT-KLJDGLGGSA-N 0 0 490.648 4.673 40 0 biogenic,in-vitro JJABRN CC(=O)Nc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1 ZINC000030883603 291535064 /nfs/dbraw/zinc/53/50/64/291535064.db2.gz NQJSLJSQVFBDAG-FUDKSRODSA-N 0 0 460.582 4.994 40 0 biogenic,in-vitro JJABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000253408287 291545806 /nfs/dbraw/zinc/54/58/06/291545806.db2.gz XKQKSLTYKRGNNC-KRWDZBQOSA-N 0 0 450.535 4.507 40 0 biogenic,in-vitro JJABRN COc1ccc(CNC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)CC[C@H](NC(=O)C4CCCCC4)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000067898911 291546301 /nfs/dbraw/zinc/54/63/01/291546301.db2.gz OODMYDSXJFVCON-OGAHGUBHSA-N 0 0 498.708 4.836 40 0 biogenic,in-vitro JJABRN O=C(N[C@H](NC(=S)Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl)c1ccco1 ZINC000000855849 193928973 /nfs/dbraw/zinc/92/89/73/193928973.db2.gz DTZAUUNNCZGYGD-GFCCVEGCSA-N 0 0 461.585 4.999 40 0 JJABRN COc1ccc(NC(=S)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000875004 193938603 /nfs/dbraw/zinc/93/86/03/193938603.db2.gz FDGISFMSQJECEX-UHFFFAOYSA-N 0 0 487.581 4.973 40 0 JJABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2cc(OCC)ccc2nc1Cl ZINC000000870414 193935709 /nfs/dbraw/zinc/93/57/09/193935709.db2.gz INFXWMDKPYDZQV-UHFFFAOYSA-N 0 0 458.942 4.648 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1ccc(OC)cc1 ZINC000000871496 193936869 /nfs/dbraw/zinc/93/68/69/193936869.db2.gz HKGLTGVDGVLVOO-UHFFFAOYSA-N 0 0 452.532 4.973 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000000885063 193947788 /nfs/dbraw/zinc/94/77/88/193947788.db2.gz PHGZLRMDBDNKQI-OAQYLSRUSA-N 0 0 451.592 4.532 40 0 JJABRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2Cl)cc1 ZINC000000913593 193962871 /nfs/dbraw/zinc/96/28/71/193962871.db2.gz MRHVDRILJJJPLS-UHFFFAOYSA-N 0 0 482.989 4.890 40 0 JJABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000913539 193963043 /nfs/dbraw/zinc/96/30/43/193963043.db2.gz KQLFJRALNSPASQ-UHFFFAOYSA-N 0 0 478.545 4.569 40 0 JJABRN CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000000916684 193967171 /nfs/dbraw/zinc/96/71/71/193967171.db2.gz UBYIIIUCRYDTBW-GASCZTMLSA-N 0 0 467.433 4.521 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000914444 193964276 /nfs/dbraw/zinc/96/42/76/193964276.db2.gz DYHCAZPGVDSKKS-UHFFFAOYSA-N 0 0 490.581 4.573 40 0 JJABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1C ZINC000000914412 193964339 /nfs/dbraw/zinc/96/43/39/193964339.db2.gz AEQTWKPGFPJNID-FQEVSTJZSA-N 0 0 494.535 4.534 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 ZINC000000924043 193975284 /nfs/dbraw/zinc/97/52/84/193975284.db2.gz IDVFQQHCNWHATD-UHFFFAOYSA-N 0 0 456.951 4.782 40 0 JJABRN Cc1cc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000923880 193975373 /nfs/dbraw/zinc/97/53/73/193975373.db2.gz PDUCCBHLYIUSBB-UHFFFAOYSA-N 0 0 464.562 4.718 40 0 JJABRN COc1cc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000000918675 193969177 /nfs/dbraw/zinc/96/91/77/193969177.db2.gz DMNLJVMQUAMWPH-UHFFFAOYSA-N 0 0 491.009 4.722 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000000925590 193977559 /nfs/dbraw/zinc/97/75/59/193977559.db2.gz GJTZQIBNFSXCML-HSZRJFAPSA-N 0 0 482.646 4.812 40 0 JJABRN CC(=O)c1ccc(NC(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 ZINC000001223973 194075592 /nfs/dbraw/zinc/07/55/92/194075592.db2.gz VGCSKHWBGYEPAA-UHFFFAOYSA-N 0 0 451.573 4.693 40 0 JJABRN COc1ccc2cc(CN(Cc3cccnc3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000001224591 194075930 /nfs/dbraw/zinc/07/59/30/194075930.db2.gz OCXRVINCAYTKQA-GOSISDBHSA-N 0 0 458.587 4.570 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc12 ZINC000001225016 194076293 /nfs/dbraw/zinc/07/62/93/194076293.db2.gz NRMGCBUVMUVLDO-UHFFFAOYSA-N 0 0 492.582 4.719 40 0 JJABRN COc1cc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001224980 194076302 /nfs/dbraw/zinc/07/63/02/194076302.db2.gz JTBGMDHNGYWDLN-UHFFFAOYSA-N 0 0 465.619 4.755 40 0 JJABRN CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001225124 194076367 /nfs/dbraw/zinc/07/63/67/194076367.db2.gz VOVUPYJCIIFSKZ-UHFFFAOYSA-N 0 0 498.674 4.813 40 0 JJABRN CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001329227 194088711 /nfs/dbraw/zinc/08/87/11/194088711.db2.gz KAGSLZBIFJBPNS-UHFFFAOYSA-N 0 0 494.569 4.538 40 0 JJABRN O=C(CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1)c1ccc(F)cc1 ZINC000001328996 194088818 /nfs/dbraw/zinc/08/88/18/194088818.db2.gz PYBLPCVAUXTKOK-UHFFFAOYSA-N 0 0 469.519 4.652 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc3n(CC(=O)N4[C@H](C)CCC[C@H]4C)c4ccccc4n23)cc1 ZINC000001325889 194086996 /nfs/dbraw/zinc/08/69/96/194086996.db2.gz KMTCYHSEOKPPDP-RTBURBONSA-N 0 0 490.633 4.513 40 0 JJABRN Cc1cccc(NC(=O)CSc2nnc3n(CC(=O)N4[C@@H](C)CCC[C@@H]4C)c4ccccc4n23)c1 ZINC000001325881 194087008 /nfs/dbraw/zinc/08/70/08/194087008.db2.gz GPPQEKPRBSHPFO-OALUTQOASA-N 0 0 490.633 4.513 40 0 JJABRN O=C(Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000001331988 194090221 /nfs/dbraw/zinc/09/02/21/194090221.db2.gz POOCXQNNOQBBRM-QFIPXVFZSA-N 0 0 464.497 4.839 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000001327590 194088053 /nfs/dbraw/zinc/08/80/53/194088053.db2.gz ZVPNNMXTIBEZHQ-UHFFFAOYSA-N 0 0 487.512 4.508 40 0 JJABRN COc1ccc2cc(CN(Cc3ccccc3OC)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001327610 194088083 /nfs/dbraw/zinc/08/80/83/194088083.db2.gz JVXGUFMWMOYNFU-UHFFFAOYSA-N 0 0 461.493 4.919 40 0 JJABRN O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000001335187 194093673 /nfs/dbraw/zinc/09/36/73/194093673.db2.gz CJMFQZOOQWYQQB-UHFFFAOYSA-N 0 0 469.632 4.537 40 0 JJABRN Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001335215 194093812 /nfs/dbraw/zinc/09/38/12/194093812.db2.gz UVOWJXHTBUWZMV-UHFFFAOYSA-N 0 0 464.562 4.984 40 0 JJABRN Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2F)cc1 ZINC000001335286 194093908 /nfs/dbraw/zinc/09/39/08/194093908.db2.gz CIDPSVMOGLPDMA-UHFFFAOYSA-N 0 0 464.562 4.984 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)NCc3ccccc3)cc2c1 ZINC000001335652 194094136 /nfs/dbraw/zinc/09/41/36/194094136.db2.gz WQYQDNDSOGENRA-UHFFFAOYSA-N 0 0 471.557 4.847 40 0 JJABRN COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000001352916 194099991 /nfs/dbraw/zinc/09/99/91/194099991.db2.gz DKOBKRNYNMFAFC-UHFFFAOYSA-N 0 0 471.513 4.808 40 0 JJABRN COc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335929 194094936 /nfs/dbraw/zinc/09/49/36/194094936.db2.gz OANSWARGGOYDPZ-UHFFFAOYSA-N 0 0 485.540 4.585 40 0 JJABRN O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335941 194094946 /nfs/dbraw/zinc/09/49/46/194094946.db2.gz FZRMOFANJTWLQM-UHFFFAOYSA-N 0 0 477.467 4.812 40 0 JJABRN Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=O)Nc2ccc(F)cc2)cc1 ZINC000001335916 194094952 /nfs/dbraw/zinc/09/49/52/194094952.db2.gz ZSZWXVGZTIDFGI-UHFFFAOYSA-N 0 0 473.504 4.981 40 0 JJABRN COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=O)Nc2ccccc2F)cc1 ZINC000001335967 194094988 /nfs/dbraw/zinc/09/49/88/194094988.db2.gz MIZZPUYTWBBOHH-UHFFFAOYSA-N 0 0 489.503 4.681 40 0 JJABRN O=C(Nc1cccc(Cl)c1)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335971 194094990 /nfs/dbraw/zinc/09/49/90/194094990.db2.gz VSHCTOIZASUXPF-UHFFFAOYSA-N 0 0 476.920 4.582 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000001339104 194095857 /nfs/dbraw/zinc/09/58/57/194095857.db2.gz SBJVGNXWWPURTQ-AREMUKBSSA-N 0 0 489.547 4.782 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)o1 ZINC000001339199 194095884 /nfs/dbraw/zinc/09/58/84/194095884.db2.gz JMSSBZFTZICROM-MHZLTWQESA-N 0 0 497.555 4.633 40 0 JJABRN COc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)cc(OC)c1 ZINC000001339563 194096824 /nfs/dbraw/zinc/09/68/24/194096824.db2.gz GJIMIAYEDXKKSA-UHFFFAOYSA-N 0 0 495.630 4.843 40 0 JJABRN C[C@@H]1CCCCN1C(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@@H](C)CC4 ZINC000001339666 194097048 /nfs/dbraw/zinc/09/70/48/194097048.db2.gz OPMAKZAKFPATFI-UONOGXRCSA-N 0 0 455.653 4.834 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N([C@@H](C)C(=O)NC3CCCCC3)C3CC3)cc12 ZINC000001339740 194097303 /nfs/dbraw/zinc/09/73/03/194097303.db2.gz LKEXOPCNRHDNFY-KRWDZBQOSA-N 0 0 450.608 4.837 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccccc1 ZINC000001340127 194097462 /nfs/dbraw/zinc/09/74/62/194097462.db2.gz YUSPVBFJRTZXAF-UHFFFAOYSA-N 0 0 450.593 4.764 40 0 JJABRN Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000001340116 194097546 /nfs/dbraw/zinc/09/75/46/194097546.db2.gz RNIMSCHKSDSGHL-UHFFFAOYSA-N 0 0 476.631 4.622 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000001340422 194097712 /nfs/dbraw/zinc/09/77/12/194097712.db2.gz JDRJHTFPYIPZBV-WOJBJXKFSA-N 0 0 464.635 4.888 40 0 JJABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCc1ccc(OC)c(OC)c1 ZINC000001341152 194097895 /nfs/dbraw/zinc/09/78/95/194097895.db2.gz FTDXNKJUBLMPKV-UHFFFAOYSA-N 0 0 476.577 4.956 40 0 JJABRN COc1ccc(C(=O)Nc2ccc3nc(C4CC4)n(Cc4ccc(C)cc4)c(=O)c3c2)cc1OC ZINC000001347235 194099428 /nfs/dbraw/zinc/09/94/28/194099428.db2.gz FCKLEMHIXZJMIR-UHFFFAOYSA-N 0 0 469.541 4.900 40 0 JJABRN COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001352912 194099881 /nfs/dbraw/zinc/09/98/81/194099881.db2.gz NQMCXXDDXWRVDU-UHFFFAOYSA-N 0 0 471.513 4.808 40 0 JJABRN COc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C(=O)c2cnccn2)cc1 ZINC000001333145 194091555 /nfs/dbraw/zinc/09/15/55/194091555.db2.gz LSPRHGPLVLGNNL-AREMUKBSSA-N 0 0 484.531 4.955 40 0 JJABRN COc1ccc(CN(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000001333200 194091807 /nfs/dbraw/zinc/09/18/07/194091807.db2.gz BFAWYJXSVHKLAL-RUZDIDTESA-N 0 0 470.504 4.647 40 0 JJABRN CC[C@@H](C)N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1 ZINC000001333590 194092122 /nfs/dbraw/zinc/09/21/22/194092122.db2.gz PGDPKPHJJQYCML-DWXRJYCRSA-N 0 0 489.551 4.586 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc3c(c2)OCO3)cc1 ZINC000001333791 194092685 /nfs/dbraw/zinc/09/26/85/194092685.db2.gz WBXOXKLUJSQHBA-AREMUKBSSA-N 0 0 492.597 4.861 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000001365297 194103663 /nfs/dbraw/zinc/10/36/63/194103663.db2.gz NTGHCCQHVXICSC-GOSISDBHSA-N 0 0 454.470 4.562 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375432 194110052 /nfs/dbraw/zinc/11/00/52/194110052.db2.gz PRWBXAUWZVKXSL-VWLOTQADSA-N 0 0 482.588 4.926 40 0 JJABRN CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21 ZINC000001366106 194104114 /nfs/dbraw/zinc/10/41/14/194104114.db2.gz OMSDFTMUMHMVJH-UHFFFAOYSA-N 0 0 489.622 4.903 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)s1 ZINC000001366343 194104132 /nfs/dbraw/zinc/10/41/32/194104132.db2.gz DSWGSMVHEQDPGA-UHFFFAOYSA-N 0 0 463.559 4.687 40 0 JJABRN COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001372711 194106482 /nfs/dbraw/zinc/10/64/82/194106482.db2.gz SELIAHAXTLYHCB-UHFFFAOYSA-N 0 0 469.545 4.781 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)Cc3ccccc3)cc12 ZINC000001372852 194106685 /nfs/dbraw/zinc/10/66/85/194106685.db2.gz DPSTZUFDHKVVPY-UHFFFAOYSA-N 0 0 482.563 4.521 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001372947 194106746 /nfs/dbraw/zinc/10/67/46/194106746.db2.gz YTGCPEWRIFRBBA-UHFFFAOYSA-N 0 0 488.592 4.528 40 0 JJABRN Cc1cc(C)c2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001372991 194106916 /nfs/dbraw/zinc/10/69/16/194106916.db2.gz UEGONXPARRTITK-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3nnnn3CCc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001373209 194107108 /nfs/dbraw/zinc/10/71/08/194107108.db2.gz COEYXJHNIXFUFM-UHFFFAOYSA-N 0 0 496.590 4.716 40 0 JJABRN Cc1ccc(CN(Cc2nnnn2Cc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000001373463 194107369 /nfs/dbraw/zinc/10/73/69/194107369.db2.gz XKIFBXUBZHBSBH-UHFFFAOYSA-N 0 0 478.600 4.691 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375596 194110260 /nfs/dbraw/zinc/11/02/60/194110260.db2.gz XCPQBCQAPXRQJR-RUZDIDTESA-N 0 0 482.588 4.926 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374341 194108563 /nfs/dbraw/zinc/10/85/63/194108563.db2.gz WCXLHKXLWQUQSS-AREMUKBSSA-N 0 0 482.588 4.812 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccccc2)N(C(=O)Cc2cccs2)c2cccnc2)cc1 ZINC000001354009 194100381 /nfs/dbraw/zinc/10/03/81/194100381.db2.gz ORAWVWXQKMVXOV-SANMLTNESA-N 0 0 471.582 4.785 40 0 JJABRN Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000001354572 194100889 /nfs/dbraw/zinc/10/08/89/194100889.db2.gz DQPHYQHKABRMLW-UHFFFAOYSA-N 0 0 459.506 4.503 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000001362250 194102241 /nfs/dbraw/zinc/10/22/41/194102241.db2.gz ULPWKRLDBDAHTF-NDEPHWFRSA-N 0 0 490.611 4.522 40 0 JJABRN CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2c(F)cccc2Cl)C1=O ZINC000001362296 194102533 /nfs/dbraw/zinc/10/25/33/194102533.db2.gz OTGGEZIPNHTVID-QHCPKHFHSA-N 0 0 481.955 4.916 40 0 JJABRN COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1OC ZINC000001362999 194102601 /nfs/dbraw/zinc/10/26/01/194102601.db2.gz 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MXJFLTWPSJXAEP-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN O=C(COc1ccccc1F)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000021577737 195316159 /nfs/dbraw/zinc/31/61/59/195316159.db2.gz MJZSDZZAVUQKPB-UHFFFAOYSA-N 0 0 473.504 4.552 40 0 JJABRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1C ZINC000058856553 195385397 /nfs/dbraw/zinc/38/53/97/195385397.db2.gz BBVMSIHSWSJOFU-RGFRMHDHSA-N 0 0 494.616 4.644 40 0 JJABRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)ccc1C ZINC000058856557 195385409 /nfs/dbraw/zinc/38/54/09/195385409.db2.gz BBVMSIHSWSJOFU-XQNWCSQWSA-N 0 0 494.616 4.644 40 0 JJABRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 ZINC000059176186 195393356 /nfs/dbraw/zinc/39/33/56/195393356.db2.gz DDSDBKFJQOTIHJ-UHFFFAOYSA-N 0 0 455.536 4.563 40 0 JJABRN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000059238532 195395634 /nfs/dbraw/zinc/39/56/34/195395634.db2.gz WNRIRXVFOOZFRY-AREMUKBSSA-N 0 0 497.555 4.802 40 0 JJABRN O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc2nsnc2c1 ZINC000059294257 195396896 /nfs/dbraw/zinc/39/68/96/195396896.db2.gz FUZKTKFQZMBZNY-UHFFFAOYSA-N 0 0 481.566 4.705 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(C)C)cc2)cc1OC ZINC000059444207 195402555 /nfs/dbraw/zinc/40/25/55/195402555.db2.gz JVPOYVHVDWXXAN-UHFFFAOYSA-N 0 0 496.629 4.699 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224845195 195466619 /nfs/dbraw/zinc/46/66/19/195466619.db2.gz VNDKLBLNAROODU-RUZDIDTESA-N 0 0 462.565 4.678 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 ZINC000224845567 195466651 /nfs/dbraw/zinc/46/66/51/195466651.db2.gz JMZRAKAUDZMLJP-NRFANRHFSA-N 0 0 451.394 4.952 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000224871861 195471798 /nfs/dbraw/zinc/47/17/98/195471798.db2.gz CJIJZGMGCWDRFY-UHFFFAOYSA-N 0 0 482.455 4.943 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000224874279 195472177 /nfs/dbraw/zinc/47/21/77/195472177.db2.gz JPBMCAJQJPFMES-LJQANCHMSA-N 0 0 475.564 4.663 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409382881 195516415 /nfs/dbraw/zinc/51/64/15/195516415.db2.gz WZYOOWHYEHXKTI-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1cc(C=O)c(Br)cc1OCc1ccc(I)cc1 ZINC000408852635 195493639 /nfs/dbraw/zinc/49/36/39/195493639.db2.gz MHMWLIDNIGDRET-UHFFFAOYSA-N 0 0 461.093 4.844 40 0 JJABRN COc1ccc(Br)cc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000409051903 195503333 /nfs/dbraw/zinc/50/33/33/195503333.db2.gz OMSXNIUWJGGFCX-BOPFTXTBSA-N 0 0 452.301 4.712 40 0 JJABRN CCC(C)(C)c1ccccc1OCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000096305852 130055541 /nfs/dbraw/zinc/05/55/41/130055541.db2.gz OJSKSNIWLLETBB-UHFFFAOYSA-N 0 0 452.595 4.606 40 0 JJABRN CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000004896677 518211589 /nfs/dbraw/zinc/21/15/89/518211589.db2.gz 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CC(C)CCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013030930 519661140 /nfs/dbraw/zinc/66/11/40/519661140.db2.gz COOZACQNPMVVOP-NDEPHWFRSA-N 0 0 498.631 4.887 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448650 519725605 /nfs/dbraw/zinc/72/56/05/519725605.db2.gz SQIAJLUYHFYGNH-HNNXBMFYSA-N 0 0 483.977 4.691 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000044844006 519779561 /nfs/dbraw/zinc/77/95/61/519779561.db2.gz CJRRNBPIFUBXHY-IBGZPJMESA-N 0 0 499.460 4.639 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000022524677 519779599 /nfs/dbraw/zinc/77/95/99/519779599.db2.gz PJJMXDQCCGUVRR-UHFFFAOYSA-N 0 0 472.994 4.882 40 0 JJABRN CC(C)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000012487412 519836527 /nfs/dbraw/zinc/83/65/27/519836527.db2.gz KMDQCMLUMXDBBJ-HHHXNRCGSA-N 0 0 499.567 4.817 40 0 JJABRN CC(C)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)cc1 ZINC000004222879 519837603 /nfs/dbraw/zinc/83/76/03/519837603.db2.gz MWFWBCODKUCMOV-DOIPELPJSA-N 0 0 493.482 4.734 40 0 biogenic,in-vitro JJABRN CC(C)c1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc54)CO[C@H]23)cc1 ZINC000004235420 519837656 /nfs/dbraw/zinc/83/76/56/519837656.db2.gz LOPVBABWZROKCI-ZYQDXHPFSA-N 0 0 475.545 4.868 40 0 biogenic,in-vitro JJABRN CCOCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006195313 519896300 /nfs/dbraw/zinc/89/63/00/519896300.db2.gz FQCFDFNVQZEAOZ-UHFFFAOYSA-N 0 0 455.599 4.587 40 0 JJABRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000036351148 520295762 /nfs/dbraw/zinc/29/57/62/520295762.db2.gz LRWBTXAARMIUTB-QFIPXVFZSA-N 0 0 490.691 4.598 40 0 JJABRN CCN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039985857 520357547 /nfs/dbraw/zinc/35/75/47/520357547.db2.gz RSWUDBWGNGODMV-UHFFFAOYSA-N 0 0 491.396 4.874 40 0 JJABRN CCCOc1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(-c5cccc(C)c5)nnn4c3c2)cc1 ZINC000021867861 520364366 /nfs/dbraw/zinc/36/43/66/520364366.db2.gz UBMBDTHBQGMKKO-UHFFFAOYSA-N 0 0 467.529 4.677 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000016682454 520484936 /nfs/dbraw/zinc/48/49/36/520484936.db2.gz DFTJJGBXEITPJZ-WLGHQHAYSA-N 0 0 488.996 4.605 40 0 JJABRN CCOc1c(I)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000016688097 520610183 /nfs/dbraw/zinc/61/01/83/520610183.db2.gz LVQFTCAGCCDLKL-LFIBNONCSA-N 0 0 481.311 4.939 40 0 JJABRN CCOc1cc(/C=C2/SC(=N)NC2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000033417771 520625489 /nfs/dbraw/zinc/62/54/89/520625489.db2.gz NBEYBIONDDTINZ-CXUHLZMHSA-N 0 0 451.317 4.705 40 0 JJABRN CCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000006149793 520689789 /nfs/dbraw/zinc/68/97/89/520689789.db2.gz XJONALBUNVIENY-UHFFFAOYSA-N 0 0 453.608 4.612 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(Cl)c1 ZINC000022537568 520694448 /nfs/dbraw/zinc/69/44/48/520694448.db2.gz QMSQCJZAXYEUHW-GOSISDBHSA-N 0 0 467.031 4.600 40 0 JJABRN CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 ZINC000006089679 520758802 /nfs/dbraw/zinc/75/88/02/520758802.db2.gz MTWLIDBAVXMWBX-UHFFFAOYSA-N 0 0 469.563 4.825 40 0 JJABRN CCOc1cc([C@H]2NC(=S)N=C(C)C2C(=O)OC)ccc1OCc1ccc(Cl)cc1Cl ZINC000013914864 520784839 /nfs/dbraw/zinc/78/48/39/520784839.db2.gz ZGIGATPHLIJGFI-HXUWFJFHSA-N 0 0 481.401 4.937 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000044884557 520801921 /nfs/dbraw/zinc/80/19/21/520801921.db2.gz IFPRPPPWCRBWIR-UHFFFAOYSA-N 0 0 463.603 4.532 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013668392 520984343 /nfs/dbraw/zinc/98/43/43/520984343.db2.gz GNVFEESDGOVKRS-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000044904662 520997957 /nfs/dbraw/zinc/99/79/57/520997957.db2.gz MRSRQKVZUIPGJF-UHFFFAOYSA-N 0 0 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CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000020108723 521188478 /nfs/dbraw/zinc/18/84/78/521188478.db2.gz FISWQDHUSDKHRE-RUZDIDTESA-N 0 0 466.603 4.857 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000022536551 521195462 /nfs/dbraw/zinc/19/54/62/521195462.db2.gz CVJKBWDMUJGICH-PMACEKPBSA-N 0 0 493.069 4.942 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499657 521196979 /nfs/dbraw/zinc/19/69/79/521196979.db2.gz QNXPXPPWPQYREA-XMMPIXPASA-N 0 0 486.576 4.909 40 0 JJABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2CC)OCO4)ccc1C ZINC000013503618 521197554 /nfs/dbraw/zinc/19/75/54/521197554.db2.gz HDUQAGLUBZXPSC-UHFFFAOYSA-N 0 0 451.548 4.914 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000022522624 521221271 /nfs/dbraw/zinc/22/12/71/521221271.db2.gz DBLWLIIOGCZZJS-CRICUBBOSA-N 0 0 450.560 4.944 40 0 JJABRN 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ZINC000020457637 523999561 /nfs/dbraw/zinc/99/95/61/523999561.db2.gz UZZHMCGTDNWXFG-UHFFFAOYSA-N 0 0 488.993 4.739 40 0 JJABRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006407124 524014428 /nfs/dbraw/zinc/01/44/28/524014428.db2.gz YPWHLBICBMENGZ-UHFFFAOYSA-N 0 0 462.571 4.545 40 0 JJABRN COc1ccc(CN2C(=S)N(Cc3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000020248637 524021991 /nfs/dbraw/zinc/02/19/91/524021991.db2.gz QMJHTTOIKYVDJG-QHCPKHFHSA-N 0 0 495.551 4.500 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C3CCCC3)S(=O)(=O)c3ccccc3Br)cc2c1 ZINC000006197676 524057779 /nfs/dbraw/zinc/05/77/79/524057779.db2.gz GEWXCVSMWAYTKK-UHFFFAOYSA-N 0 0 489.435 4.987 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000019522997 524057856 /nfs/dbraw/zinc/05/78/56/524057856.db2.gz DNGVVGXPLDTSFC-UHFFFAOYSA-N 0 0 483.012 4.500 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)cc2c1 ZINC000006135195 524058422 /nfs/dbraw/zinc/05/84/22/524058422.db2.gz AYKNATLFHMXIKB-GKVSMKOHSA-N 0 0 454.578 4.733 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013506894 524113111 /nfs/dbraw/zinc/11/31/11/524113111.db2.gz CKVBGGFRRKWVRL-MHZLTWQESA-N 0 0 487.600 4.768 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)c1 ZINC000012479131 524138077 /nfs/dbraw/zinc/13/80/77/524138077.db2.gz RHHXZQBFZCAQRD-AREMUKBSSA-N 0 0 490.556 4.850 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCO3)c1 ZINC000012479043 524138438 /nfs/dbraw/zinc/13/84/38/524138438.db2.gz PRLULSYMFSKMSE-RUZDIDTESA-N 0 0 476.529 4.854 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000016188477 524247864 /nfs/dbraw/zinc/24/78/64/524247864.db2.gz RJVOWMTWPBFRQF-UHFFFAOYSA-N 0 0 477.007 4.759 40 0 JJABRN COc1ccccc1-c1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=S)n1-n1cccc1 ZINC000016807179 524283964 /nfs/dbraw/zinc/28/39/64/524283964.db2.gz VHKXGXCONUQVDZ-UHFFFAOYSA-N 0 0 473.480 4.860 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)c(C)c1 ZINC000020017140 524316439 /nfs/dbraw/zinc/31/64/39/524316439.db2.gz YDXBLENJLHDJOW-MRXNPFEDSA-N 0 0 472.504 4.809 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000022539587 524321544 /nfs/dbraw/zinc/32/15/44/524321544.db2.gz JVHJWCOXPSIIBP-GBXCKJPGSA-N 0 0 468.594 4.518 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000022539593 524322386 /nfs/dbraw/zinc/32/23/86/524322386.db2.gz JVHJWCOXPSIIBP-RDPSFJRHSA-N 0 0 468.594 4.518 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000022536441 524329118 /nfs/dbraw/zinc/32/91/18/524329118.db2.gz IIOXSTCTYAHNOR-MRXNPFEDSA-N 0 0 457.423 4.558 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022535598 524329609 /nfs/dbraw/zinc/32/96/09/524329609.db2.gz LWAYPUCRSBAOFU-OAQYLSRUSA-N 0 0 468.594 4.819 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1C ZINC000022539933 524330160 /nfs/dbraw/zinc/33/01/60/524330160.db2.gz YWRGMPFGNPOZCN-RTBURBONSA-N 0 0 493.467 4.652 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022535412 524331213 /nfs/dbraw/zinc/33/12/13/524331213.db2.gz CKTYRNDLXMFMPD-QHCPKHFHSA-N 0 0 464.631 4.723 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022535392 524331541 /nfs/dbraw/zinc/33/15/41/524331541.db2.gz AFZWNDGKXUMEJZ-QFIPXVFZSA-N 0 0 450.604 4.680 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000022540836 524331751 /nfs/dbraw/zinc/33/17/51/524331751.db2.gz PSLNEPHESHAJTD-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000008676958 524338667 /nfs/dbraw/zinc/33/86/67/524338667.db2.gz CYDQMNJMSLDSJD-QFIPXVFZSA-N 0 0 454.548 4.805 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCc4ccccc43)cc2c1 ZINC000006193454 524341045 /nfs/dbraw/zinc/34/10/45/524341045.db2.gz LTIJOVVJMZPBLY-HHHXNRCGSA-N 0 0 476.584 4.722 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020481402 524362163 /nfs/dbraw/zinc/36/21/63/524362163.db2.gz RXHFQMSZFXBOAD-MRXNPFEDSA-N 0 0 476.957 4.560 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022323229 524362630 /nfs/dbraw/zinc/36/26/30/524362630.db2.gz UQBLKKJTPUMWEF-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044946150 524363364 /nfs/dbraw/zinc/36/33/64/524363364.db2.gz GATLKISNMYCRBI-UHFFFAOYSA-N 0 0 469.434 4.502 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020481398 524363343 /nfs/dbraw/zinc/36/33/43/524363343.db2.gz RXHFQMSZFXBOAD-INIZCTEOSA-N 0 0 476.957 4.560 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020108027 524363463 /nfs/dbraw/zinc/36/34/63/524363463.db2.gz GWOYAMMDNQWRCP-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428971 524365737 /nfs/dbraw/zinc/36/57/37/524365737.db2.gz DJTVYSWNHOECOO-UHFFFAOYSA-N 0 0 476.520 4.868 40 0 JJABRN Cc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000020111125 524382837 /nfs/dbraw/zinc/38/28/37/524382837.db2.gz CBHMGDJUAKQOCA-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466399 524473690 /nfs/dbraw/zinc/47/36/90/524473690.db2.gz LJMWVXYPXIPNLC-FLIVTVPCSA-N 0 0 486.697 4.692 40 0 biogenic,in-vitro JJABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000013562441 524509835 /nfs/dbraw/zinc/50/98/35/524509835.db2.gz CUPBSFNAQWCAOA-HDICACEKSA-N 0 0 496.633 4.574 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030751147 524522825 /nfs/dbraw/zinc/52/28/25/524522825.db2.gz MQLNCTZWMTZIAT-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1 ZINC000020460147 524523709 /nfs/dbraw/zinc/52/37/09/524523709.db2.gz WKFONSVRSXUIRD-UHFFFAOYSA-N 0 0 493.629 4.950 40 0 JJABRN Cc1cc(C)nc(SCc2nc3cc(NC(=S)N[C@H]4C[C@H]5CC[C@@H]4C5)ccc3n2C)n1 ZINC000012323819 524601896 /nfs/dbraw/zinc/60/18/96/524601896.db2.gz NHOQOBTWOFNXJZ-JZXOWHBKSA-N 0 0 452.653 4.747 40 0 JJABRN COc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1Br ZINC000016226638 524627650 /nfs/dbraw/zinc/62/76/50/524627650.db2.gz ZGJSOPDWVUUDQP-UHFFFAOYSA-N 0 0 466.500 4.968 40 0 JJABRN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448582 524627850 /nfs/dbraw/zinc/62/78/50/524627850.db2.gz JFQLGOCJSADBEY-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 ZINC000019867878 524633291 /nfs/dbraw/zinc/63/32/91/524633291.db2.gz PWBXCDJQDIBZSS-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537057 524693896 /nfs/dbraw/zinc/69/38/96/524693896.db2.gz GPRSGIGTGLSHDY-OAHLLOKOSA-N 0 0 492.956 4.545 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536943 524694784 /nfs/dbraw/zinc/69/47/84/524694784.db2.gz BBEPAHNKWLGETN-HXUWFJFHSA-N 0 0 482.602 4.677 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012056 524717905 /nfs/dbraw/zinc/71/79/05/524717905.db2.gz UTYHFPXMCWVUPS-QGZVFWFLSA-N 0 0 490.984 4.556 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429382 524728686 /nfs/dbraw/zinc/72/86/86/524728686.db2.gz SVIDANFBOJJNTP-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429379 524729316 /nfs/dbraw/zinc/72/93/16/524729316.db2.gz SVIDANFBOJJNTP-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1C ZINC000013506081 524876943 /nfs/dbraw/zinc/87/69/43/524876943.db2.gz OKMAUJJGHCTSTP-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020462198 524893471 /nfs/dbraw/zinc/89/34/71/524893471.db2.gz VYXJTZLUXXKRDT-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020460896 524899154 /nfs/dbraw/zinc/89/91/54/524899154.db2.gz BJKRRZPCVNYRES-IBGZPJMESA-N 0 0 454.567 4.900 40 0 JJABRN Cc1cc(Cl)ccc1OCCCC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000014678557 524903955 /nfs/dbraw/zinc/90/39/55/524903955.db2.gz HYDKJFMWBAXKKD-UHFFFAOYSA-N 0 0 461.271 4.839 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 ZINC000020010118 524947677 /nfs/dbraw/zinc/94/76/77/524947677.db2.gz GSKLUXUCEYBFRP-SFHVURJKSA-N 0 0 487.419 4.517 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccccc4)cc3c2)cc1C ZINC000020447969 525006489 /nfs/dbraw/zinc/00/64/89/525006489.db2.gz WGWLWKOWTFZPKK-UHFFFAOYSA-N 0 0 480.611 4.973 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C2CCCCC2)cc1Cl ZINC000020014410 525011319 /nfs/dbraw/zinc/01/13/19/525011319.db2.gz OIZQKFDEATUDBW-QHCPKHFHSA-N 0 0 491.053 4.866 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000022523149 525011337 /nfs/dbraw/zinc/01/13/37/525011337.db2.gz VTXWJCBTNQDMSE-RUZDIDTESA-N 0 0 484.593 4.933 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2OC)cc1 ZINC000022530516 525011919 /nfs/dbraw/zinc/01/19/19/525011919.db2.gz UTEVQXNHSQYSDX-DEOSSOPVSA-N 0 0 496.629 4.803 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccccc2)cc1 ZINC000020049739 525011979 /nfs/dbraw/zinc/01/19/79/525011979.db2.gz QKBVOYDCOJQBSY-RUZDIDTESA-N 0 0 466.603 4.794 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1Cl ZINC000022539894 525019193 /nfs/dbraw/zinc/01/91/93/525019193.db2.gz BSWQCXKICDNNLL-SFHVURJKSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000046569684 525024667 /nfs/dbraw/zinc/02/46/67/525024667.db2.gz DXVFCAJRIMOPOL-UHFFFAOYSA-N 0 0 471.406 4.748 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000019868676 525028610 /nfs/dbraw/zinc/02/86/10/525028610.db2.gz JINVWLXUXNARRK-UHFFFAOYSA-N 0 0 459.370 4.621 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1Cl ZINC000022530871 525028747 /nfs/dbraw/zinc/02/87/47/525028747.db2.gz CODJWEJYJAMQNV-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000022516553 525052801 /nfs/dbraw/zinc/05/28/01/525052801.db2.gz IPCUIFYLJHKFRC-UHFFFAOYSA-N 0 0 470.616 4.927 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000020006212 525075970 /nfs/dbraw/zinc/07/59/70/525075970.db2.gz CWVBWGKPHHGNNE-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000020006181 525076105 /nfs/dbraw/zinc/07/61/05/525076105.db2.gz SKNCHYIQAIRBNL-HXUWFJFHSA-N 0 0 479.385 4.530 40 0 JJABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020010992 525100167 /nfs/dbraw/zinc/10/01/67/525100167.db2.gz SITJOZMEBXIGSM-MRXNPFEDSA-N 0 0 452.979 4.680 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000012478519 525115494 /nfs/dbraw/zinc/11/54/94/525115494.db2.gz IHWDQDVFOGMPSN-SANMLTNESA-N 0 0 490.556 4.896 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)no1 ZINC000013151065 525120760 /nfs/dbraw/zinc/12/07/60/525120760.db2.gz VKPOONPDRNABAB-DEOSSOPVSA-N 0 0 498.605 4.575 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020049969 525133966 /nfs/dbraw/zinc/13/39/66/525133966.db2.gz MACQKHGVSUIAKO-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C)cc1 ZINC000020022558 525135146 /nfs/dbraw/zinc/13/51/46/525135146.db2.gz STZCOUJVFMPNSV-HXUWFJFHSA-N 0 0 482.602 4.677 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000030847577 525138338 /nfs/dbraw/zinc/13/83/38/525138338.db2.gz DKMBRYPSCOGLPM-XUZZJYLKSA-N 0 0 470.679 4.836 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1OC ZINC000020450343 525141860 /nfs/dbraw/zinc/14/18/60/525141860.db2.gz MPHYJXTVKUQSCS-LJQANCHMSA-N 0 0 482.602 4.921 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1OC ZINC000044848438 525143782 /nfs/dbraw/zinc/14/37/82/525143782.db2.gz YYYCLADBVOYGAC-GOSISDBHSA-N 0 0 468.575 4.612 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000044904328 525144304 /nfs/dbraw/zinc/14/43/04/525144304.db2.gz STVAGODBQVHJLF-OAHLLOKOSA-N 0 0 474.966 4.649 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020491886 525155676 /nfs/dbraw/zinc/15/56/76/525155676.db2.gz IJEKIMNMIMWWGC-DEOSSOPVSA-N 0 0 452.551 4.599 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)c1cccc(Cl)c1 ZINC000022531028 525156751 /nfs/dbraw/zinc/15/67/51/525156751.db2.gz IYCKWRRDRJAJKP-UHFFFAOYSA-N 0 0 498.004 4.685 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935941 525172630 /nfs/dbraw/zinc/17/26/30/525172630.db2.gz TZVDEIHOOODMNB-JOCHJYFZSA-N 0 0 458.967 4.739 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000044883645 525173347 /nfs/dbraw/zinc/17/33/47/525173347.db2.gz OHUMIKYEMAZUBQ-GOSISDBHSA-N 0 0 473.422 4.672 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000020453867 525173711 /nfs/dbraw/zinc/17/37/11/525173711.db2.gz KEJMYJQRPUPGDJ-HSZRJFAPSA-N 0 0 460.640 4.662 40 0 JJABRN 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QFWORQXOJKAFQL-KOSHJBKYSA-N 0 0 485.005 4.791 40 0 JJABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc2-c2ccncc2)c1 ZINC000028047409 525748260 /nfs/dbraw/zinc/74/82/60/525748260.db2.gz OBXBGVZHPWGQIF-UHFFFAOYSA-N 0 0 469.929 4.861 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022429468 525758935 /nfs/dbraw/zinc/75/89/35/525758935.db2.gz ADUVXVBBNSOMEP-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)Cn1nc(Cn2nnc3ccccc32)n(-c2ccccc2)c1=S ZINC000016769496 525769103 /nfs/dbraw/zinc/76/91/03/525769103.db2.gz VIDXZZAXIFGMHC-UHFFFAOYSA-N 0 0 489.992 4.797 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2C)o1 ZINC000013506019 525874320 /nfs/dbraw/zinc/87/43/20/525874320.db2.gz MQDXMWHWGOJXSF-RUZDIDTESA-N 0 0 493.629 4.829 40 0 JJABRN CC(=O)c1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@@H]3C2=O)c1 ZINC000096297339 534889737 /nfs/dbraw/zinc/88/97/37/534889737.db2.gz HNZPIYWRPAOGKF-ZRBLBEILSA-N 0 0 491.341 4.703 40 0 JJABRN COc1cccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccccn2)c1 ZINC000012477326 525905427 /nfs/dbraw/zinc/90/54/27/525905427.db2.gz GNEOKGNWGQGPKG-AREMUKBSSA-N 0 0 477.630 4.913 40 0 JJABRN C[C@@H]([C@@H](O)c1ccccc1)N1CC[C@H](N(C(=O)OCc2ccccc2)c2ccccc2)CC1=O ZINC000045076895 526018480 /nfs/dbraw/zinc/01/84/80/526018480.db2.gz HANSHLZNFNPMBN-IDNYDCHQSA-N 0 0 458.558 4.943 40 0 JJABRN C[C@@H]([C@H](O)c1ccccc1)N1CC[C@H](N(C(=O)OCc2ccccc2)c2ccccc2)CC1=O ZINC000045076891 526023442 /nfs/dbraw/zinc/02/34/42/526023442.db2.gz HANSHLZNFNPMBN-NOOLENRPSA-N 0 0 458.558 4.943 40 0 JJABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C4N=NC(=S)N4C[C@@H]4CCCO4)cc3N2)cc1C ZINC000022714670 526035729 /nfs/dbraw/zinc/03/57/29/526035729.db2.gz XFJMJZYIBGEUEF-LZLYRXPVSA-N 0 0 478.544 4.886 40 0 JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466367 526081115 /nfs/dbraw/zinc/08/11/15/526081115.db2.gz GHVDDKULJOZMAX-FNHYINLWSA-N 0 0 474.661 4.822 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1cccs1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466877 526090095 /nfs/dbraw/zinc/09/00/95/526090095.db2.gz WBFVEQDJXGHCAM-UOIVBLOGSA-N 0 0 482.690 4.551 40 0 biogenic,in-vitro JJABRN COc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1 ZINC000008625247 526127874 /nfs/dbraw/zinc/12/78/74/526127874.db2.gz XXICWLOUEVVNKH-XMMPIXPASA-N 0 0 478.980 4.976 40 0 JJABRN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCc3sccc3C)C2=O)c1 ZINC000020426913 526141309 /nfs/dbraw/zinc/14/13/09/526141309.db2.gz PDGARZRWKRNYQQ-OAQYLSRUSA-N 0 0 481.549 4.613 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(Cl)c1 ZINC000016285082 526144317 /nfs/dbraw/zinc/14/43/17/526144317.db2.gz VHIVIHKHKXGUSP-UHFFFAOYSA-N 0 0 457.905 4.631 40 0 JJABRN CSc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004801 526173727 /nfs/dbraw/zinc/17/37/27/526173727.db2.gz UVIIZGCDNPBKJK-JOCHJYFZSA-N 0 0 468.644 4.862 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022533004 526215446 /nfs/dbraw/zinc/21/54/46/526215446.db2.gz SCBXYRBXAJVJST-UHFFFAOYSA-N 0 0 452.376 4.868 40 0 JJABRN O=C(NCCSC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020491411 526371221 /nfs/dbraw/zinc/37/12/21/526371221.db2.gz MUEIVXGDZBDOJK-UHFFFAOYSA-N 0 0 453.029 4.937 40 0 JJABRN O=C(NCCSCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020489623 526371839 /nfs/dbraw/zinc/37/18/39/526371839.db2.gz GJMGCYWWBCHLPX-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000016477211 526436036 /nfs/dbraw/zinc/43/60/36/526436036.db2.gz OKJSPCADIGTKSD-GSLIJJQTSA-N 0 0 465.505 4.923 40 0 JJABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(F)c2)C1)Nc1ccc(F)c(F)c1 ZINC000019075151 526529507 /nfs/dbraw/zinc/52/95/07/526529507.db2.gz IFTFMYNCWGVJES-ZIAGYGMSSA-N 0 0 452.452 4.993 40 0 JJABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020459852 526692505 /nfs/dbraw/zinc/69/25/05/526692505.db2.gz MXKGOBLXBKFREM-UHFFFAOYSA-N 0 0 496.604 4.650 40 0 JJABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 ZINC000022572071 526699669 /nfs/dbraw/zinc/69/96/69/526699669.db2.gz IDBRMRBRBPEWOC-UHFFFAOYSA-N 0 0 463.386 4.501 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1 ZINC000020010842 526699805 /nfs/dbraw/zinc/69/98/05/526699805.db2.gz NVSNQAGHUXOFGC-UHFFFAOYSA-N 0 0 495.345 4.557 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020010689 526699879 /nfs/dbraw/zinc/69/98/79/526699879.db2.gz VEIYCIIOAZALPN-XMMPIXPASA-N 0 0 469.006 4.725 40 0 JJABRN O=C(CN1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564977 526740326 /nfs/dbraw/zinc/74/03/26/526740326.db2.gz VCTPQRRURLUWOY-UHFFFAOYSA-N 0 0 478.593 4.967 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1c(Cl)cccc1Cl ZINC000019869131 526826400 /nfs/dbraw/zinc/82/64/00/526826400.db2.gz CXOJVMNTRKPWHR-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506258 526869938 /nfs/dbraw/zinc/86/99/38/526869938.db2.gz JKUATLATMKIPPN-DEOSSOPVSA-N 0 0 497.567 4.589 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506468 526870447 /nfs/dbraw/zinc/87/04/47/526870447.db2.gz ZLWJERZJRBXWQZ-XMMPIXPASA-N 0 0 495.670 4.758 40 0 JJABRN O=C(c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000004133116 526929162 /nfs/dbraw/zinc/92/91/62/526929162.db2.gz LVFXHBGIGHYAOZ-RDJZCZTQSA-N 0 0 479.890 4.752 40 0 JJABRN O=C(COc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cc4ccccc4s3)c12 ZINC000004237408 526982594 /nfs/dbraw/zinc/98/25/94/526982594.db2.gz INEVJTYGQCPLOL-AZUAARDMSA-N 0 0 456.567 4.755 40 0 biogenic,in-vitro JJABRN Cn1c(=O)c(Nc2ccc(Br)cc2)nnc1SCc1ccc(Br)cc1 ZINC000028538419 527022961 /nfs/dbraw/zinc/02/29/61/527022961.db2.gz SMDKRYUHLWSVKI-UHFFFAOYSA-N 0 0 482.201 4.736 40 0 JJABRN Cn1c(=O)c(Nc2cccc(C(F)(F)F)c2)nnc1SCc1ccc(Br)cc1 ZINC000028536624 527023474 /nfs/dbraw/zinc/02/34/74/527023474.db2.gz KIMOFXMMABSXMA-UHFFFAOYSA-N 0 0 471.302 4.993 40 0 JJABRN O=C(CSc1nnc2n(Cc3ccccc3Cl)c3ccccc3n12)Nc1nccs1 ZINC000035315099 527090570 /nfs/dbraw/zinc/09/05/70/527090570.db2.gz MCAAIULUAXBDFZ-UHFFFAOYSA-N 0 0 454.968 4.573 40 0 JJABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000018157946 527119718 /nfs/dbraw/zinc/11/97/18/527119718.db2.gz XXVFAWFFGVBSGV-VSKRKVRLSA-N 0 0 481.321 4.635 40 0 JJABRN Cn1c2nnc(SCc3c(F)cccc3Cl)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000033256854 527127158 /nfs/dbraw/zinc/12/71/58/527127158.db2.gz RHHYRNBWDZXOHH-UHFFFAOYSA-N 0 0 499.999 4.729 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020037882 527183960 /nfs/dbraw/zinc/18/39/60/527183960.db2.gz MDQSWGMPYAWQOB-KRWDZBQOSA-N 0 0 455.407 4.607 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868439 527184577 /nfs/dbraw/zinc/18/45/77/527184577.db2.gz WTFVAPSFCXPVIZ-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000022562389 527222764 /nfs/dbraw/zinc/22/27/64/527222764.db2.gz GQIYIWVCHISJMC-UHFFFAOYSA-N 0 0 456.358 4.783 40 0 JJABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020460184 527224154 /nfs/dbraw/zinc/22/41/54/527224154.db2.gz DLJBZZLJHOUOJN-HHHXNRCGSA-N 0 0 471.582 4.840 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020491209 527255254 /nfs/dbraw/zinc/25/52/54/527255254.db2.gz AQBGNJQZWDJXDS-UHFFFAOYSA-N 0 0 498.608 4.693 40 0 JJABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1)c1cccs1 ZINC000004258875 527298755 /nfs/dbraw/zinc/29/87/55/527298755.db2.gz VIDVNKTYLIOYMQ-LAUBAEHRSA-N 0 0 469.566 4.575 40 0 biogenic,in-vitro JJABRN O=C(Nc1cccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)c1)c1ccccc1Cl ZINC000041085942 527329950 /nfs/dbraw/zinc/32/99/50/527329950.db2.gz WZPDTLMTGMYRQN-UHFFFAOYSA-N 0 0 493.972 4.898 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020456731 527374521 /nfs/dbraw/zinc/37/45/21/527374521.db2.gz CFZLNGMVDCFTJT-UHFFFAOYSA-N 0 0 495.004 4.873 40 0 JJABRN O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 ZINC000005434062 527383453 /nfs/dbraw/zinc/38/34/53/527383453.db2.gz YFRLZSZSTVFZTO-ZYQDXHPFSA-N 0 0 486.503 4.631 40 0 biogenic,in-vitro JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000044950150 527385676 /nfs/dbraw/zinc/38/56/76/527385676.db2.gz DOODPHQSQYPVKQ-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000044840427 527386232 /nfs/dbraw/zinc/38/62/32/527386232.db2.gz PTNDBJMIMKEFKB-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000020458313 527386293 /nfs/dbraw/zinc/38/62/93/527386293.db2.gz ABFBPRKWJUKJHZ-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cn1cccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000012477764 527403084 /nfs/dbraw/zinc/40/30/84/527403084.db2.gz POJGMSVSCUVPBF-DEOSSOPVSA-N 0 0 453.583 4.992 40 0 JJABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000004388469 527407997 /nfs/dbraw/zinc/40/79/97/527407997.db2.gz OKBRSHSCBXYHHB-RUZDIDTESA-N 0 0 479.602 4.581 40 0 aggregator JJABRN O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000022706238 527461358 /nfs/dbraw/zinc/46/13/58/527461358.db2.gz QSEYJTFFLJICOS-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cnsn1)c1ccc(F)cc1 ZINC000013494358 527513795 /nfs/dbraw/zinc/51/37/95/527513795.db2.gz AZTRBJFQNLNAQJ-OAQYLSRUSA-N 0 0 456.518 4.653 40 0 JJABRN CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2F)C(C(=O)NCc2ccccc2)=C(C)N1 ZINC000000623215 553712321 /nfs/dbraw/zinc/71/23/21/553712321.db2.gz JDRMVIZHIYQMLI-UHFFFAOYSA-N 0 0 469.560 4.693 40 0 JJABRN O=C(C[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl)c1ccc(Br)cc1Br ZINC000000644767 553725870 /nfs/dbraw/zinc/72/58/70/553725870.db2.gz SGEQJPGMZJHPIN-MRXNPFEDSA-N 0 0 493.966 4.931 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000000778394 553778562 /nfs/dbraw/zinc/77/85/62/553778562.db2.gz WWHMPFIJRPLVCO-UHFFFAOYSA-N 0 0 488.949 4.775 40 0 JJABRN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc4ccccc4c3)n2C)cc1 ZINC000000786243 553781269 /nfs/dbraw/zinc/78/12/69/553781269.db2.gz DWSQAFGWRXDJLX-QGZVFWFLSA-N 0 0 460.559 4.869 40 0 JJABRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1OC ZINC000000793562 553782202 /nfs/dbraw/zinc/78/22/02/553782202.db2.gz JJIGHLSEXQBPSV-UHFFFAOYSA-N 0 0 451.577 4.828 40 0 JJABRN O=C(Nc1ccc(Sc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000797239 553782659 /nfs/dbraw/zinc/78/26/59/553782659.db2.gz UJPPXIAVPJFYEX-UHFFFAOYSA-N 0 0 489.018 4.764 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)COc1ccccc1C ZINC000000872047 553810264 /nfs/dbraw/zinc/81/02/64/553810264.db2.gz GRKOQSYMKXEXDJ-UHFFFAOYSA-N 0 0 456.495 4.560 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000000871979 553810299 /nfs/dbraw/zinc/81/02/99/553810299.db2.gz UTWKNFXUEWWNJR-UHFFFAOYSA-N 0 0 476.913 4.905 40 0 JJABRN COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)nnc2-c2ccc(O)cc2)cc1 ZINC000000874342 553811395 /nfs/dbraw/zinc/81/13/95/553811395.db2.gz HQIFEFCMCHNCBR-KRWDZBQOSA-N 0 0 488.569 4.970 40 0 JJABRN COc1ccccc1NC(=O)CSc1nnc(CNc2cccc(C)c2)n1-c1ccccc1 ZINC000000877642 553813392 /nfs/dbraw/zinc/81/33/92/553813392.db2.gz XJZFACSBKTXKOG-UHFFFAOYSA-N 0 0 459.575 4.927 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CSc1cc(C)nc(SCC(=O)c2ccc(C)cc2)n1 ZINC000000877823 553813941 /nfs/dbraw/zinc/81/39/41/553813941.db2.gz GSDJFBBBUCFKHK-UHFFFAOYSA-N 0 0 481.599 4.586 40 0 JJABRN COc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000000878936 553815160 /nfs/dbraw/zinc/81/51/60/553815160.db2.gz LQYJEPKRRBYHEF-QFIPXVFZSA-N 0 0 451.592 4.532 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3OC)cc2c1 ZINC000000879860 553816562 /nfs/dbraw/zinc/81/65/62/553816562.db2.gz WQQBBENIZGCADI-UHFFFAOYSA-N 0 0 459.571 4.945 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000880176 553817225 /nfs/dbraw/zinc/81/72/25/553817225.db2.gz IKVCBTDGPKXZNY-UHFFFAOYSA-N 0 0 475.589 4.795 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3cccc(Cl)c3C)cc2c1 ZINC000000883413 553820387 /nfs/dbraw/zinc/82/03/87/553820387.db2.gz GLWLSILXTBHIER-UHFFFAOYSA-N 0 0 467.978 4.584 40 0 JJABRN Cc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c(C)c1 ZINC000000885021 553823730 /nfs/dbraw/zinc/82/37/30/553823730.db2.gz JEGKBDZMPJUQMQ-UHFFFAOYSA-N 0 0 492.689 4.683 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000000888196 553826325 /nfs/dbraw/zinc/82/63/25/553826325.db2.gz OJVKDNYDDHLINU-RRPNLBNLSA-N 0 0 470.569 4.968 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1 ZINC000000889964 553827324 /nfs/dbraw/zinc/82/73/24/553827324.db2.gz FSGPGCMIRNOTOG-RUZDIDTESA-N 0 0 454.578 4.789 40 0 JJABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 ZINC000000890703 553827566 /nfs/dbraw/zinc/82/75/66/553827566.db2.gz CMUHEGOPKZXNEF-UHFFFAOYSA-N 0 0 479.480 4.919 40 0 JJABRN COc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000891053 553827842 /nfs/dbraw/zinc/82/78/42/553827842.db2.gz NMRDZLKCQPPNCK-UHFFFAOYSA-N 0 0 487.581 4.707 40 0 JJABRN Cc1ccc(C(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)c(C)c1 ZINC000000892132 553829802 /nfs/dbraw/zinc/82/98/02/553829802.db2.gz BYFVFFDJWVROIY-UHFFFAOYSA-N 0 0 481.585 4.561 40 0 JJABRN COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000000895108 553831231 /nfs/dbraw/zinc/83/12/31/553831231.db2.gz OENZNRNYDQFMBH-UHFFFAOYSA-N 0 0 479.558 4.546 40 0 JJABRN COc1cc2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1OC ZINC000000895138 553831464 /nfs/dbraw/zinc/83/14/64/553831464.db2.gz WWBKAUJKTYKQRX-KRWDZBQOSA-N 0 0 477.586 4.776 40 0 JJABRN COc1ccc(C(=O)CSc2nnc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)o2)cc1 ZINC000000897101 553832751 /nfs/dbraw/zinc/83/27/51/553832751.db2.gz KOPBMIASDIFFML-UHFFFAOYSA-N 0 0 495.582 4.829 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1Cl ZINC000000899939 553833649 /nfs/dbraw/zinc/83/36/49/553833649.db2.gz UYEHMPNZCKAEKA-IBGZPJMESA-N 0 0 490.004 4.901 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000000902428 553835807 /nfs/dbraw/zinc/83/58/07/553835807.db2.gz SZCRQIUMANZVNY-SANMLTNESA-N 0 0 489.526 4.543 40 0 JJABRN COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3)o2)cc1OC ZINC000000905601 553838168 /nfs/dbraw/zinc/83/81/68/553838168.db2.gz AEICVEVRRPWFKE-UHFFFAOYSA-N 0 0 486.553 4.804 40 0 JJABRN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1 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QODICMYBCHEIDX-UHFFFAOYSA-N 0 0 497.020 4.785 40 0 JJABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1 ZINC000008897924 554788379 /nfs/dbraw/zinc/78/83/79/554788379.db2.gz MQTVNHUIGQCGSO-UHFFFAOYSA-N 0 0 497.020 4.585 40 0 JJABRN Cc1ccc(C(O)=C2[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915311 554808894 /nfs/dbraw/zinc/80/88/94/554808894.db2.gz BQDRPRMARQFALJ-ZFGGDYGUSA-N 0 0 470.447 4.891 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)c1)c1ccc(F)cc1 ZINC000008923911 554821143 /nfs/dbraw/zinc/82/11/43/554821143.db2.gz YKRPDZMBYFQBAY-ZCFUWVSLSA-N 0 0 497.522 4.795 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000009057550 554876726 /nfs/dbraw/zinc/87/67/26/554876726.db2.gz OOPBPKPCTLUCGM-UHFFFAOYSA-N 0 0 467.031 4.649 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cc(Cl)ccc3OC)o2)cc1 ZINC000009062258 554879423 /nfs/dbraw/zinc/87/94/23/554879423.db2.gz CNCXGOMMWBQRSO-UHFFFAOYSA-N 0 0 478.892 4.912 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)CCC(=O)c4ccccc4)c3)o2)cc1 ZINC000009062248 554879468 /nfs/dbraw/zinc/87/94/68/554879468.db2.gz JCQANZZDFLFVMX-UHFFFAOYSA-N 0 0 470.485 4.599 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)CCC(=O)c3ccccc3)o2)cc1 ZINC000009062266 554879480 /nfs/dbraw/zinc/87/94/80/554879480.db2.gz FHRKGISHCARZDN-UHFFFAOYSA-N 0 0 470.485 4.599 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000009063884 554881938 /nfs/dbraw/zinc/88/19/38/554881938.db2.gz ZGRKFMACUPQLCR-UHFFFAOYSA-N 0 0 451.759 4.596 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nn12 ZINC000009064513 554882153 /nfs/dbraw/zinc/88/21/53/554882153.db2.gz DSUYEDHBMLHWHF-UHFFFAOYSA-N 0 0 463.375 4.595 40 0 JJABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000009064595 554882657 /nfs/dbraw/zinc/88/26/57/554882657.db2.gz MCMXLKNKJUOPPI-UHFFFAOYSA-N 0 0 463.540 4.567 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(N(C)C)cc1 ZINC000009064819 554883748 /nfs/dbraw/zinc/88/37/48/554883748.db2.gz NVUOCKLLBSGVBM-UHFFFAOYSA-N 0 0 458.381 4.804 40 0 JJABRN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215853 554983717 /nfs/dbraw/zinc/98/37/17/554983717.db2.gz FTTAMGFTVMVPRQ-OPXMRZJTSA-N 0 0 458.986 4.664 40 0 JJABRN O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)[C@@H]1CCCC[C@H]1S2)NCc1ccccc1 ZINC000009232050 555004044 /nfs/dbraw/zinc/00/40/44/555004044.db2.gz NPPQTXQNPNXUTJ-WOJBJXKFSA-N 0 0 481.618 4.912 40 0 JJABRN Cc1cccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)c1 ZINC000009287144 555060615 /nfs/dbraw/zinc/06/06/15/555060615.db2.gz UPKAWQTZNRQHMM-UHFFFAOYSA-N 0 0 455.739 4.925 40 0 JJABRN Cc1ccc(NC(=O)Cn2c3ccc(Br)cc3c(=O)n(-c3cccc(Cl)c3)c2=O)cc1 ZINC000009287164 555060680 /nfs/dbraw/zinc/06/06/80/555060680.db2.gz QFOHYCDKFGZJAQ-UHFFFAOYSA-N 0 0 498.764 4.515 40 0 JJABRN Cc1ccc(Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cc(Br)ccc32)cc1 ZINC000009287141 555060702 /nfs/dbraw/zinc/06/07/02/555060702.db2.gz DRQAEWYWSXXMCI-UHFFFAOYSA-N 0 0 455.739 4.925 40 0 JJABRN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000009291946 555066812 /nfs/dbraw/zinc/06/68/12/555066812.db2.gz GJFXGDYIUYRCHK-CIAFKFPVSA-N 0 0 473.964 4.842 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OCC)cc4)[C@@H]3C2=O)cc1 ZINC000009307760 555081056 /nfs/dbraw/zinc/08/10/56/555081056.db2.gz RSUPTSRMDPGAAO-NXCFDTQHSA-N 0 0 472.541 4.925 40 0 JJABRN Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000009532660 555327690 /nfs/dbraw/zinc/32/76/90/555327690.db2.gz XHJRGRXJBSSNEI-UHFFFAOYSA-N 0 0 498.777 4.779 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1Cl ZINC000009536082 555329637 /nfs/dbraw/zinc/32/96/37/555329637.db2.gz YLSQQKVLEQGUOC-KRWDZBQOSA-N 0 0 476.961 4.656 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000013151143 555358556 /nfs/dbraw/zinc/35/85/56/555358556.db2.gz FABLMKPJEDZPPN-QHCPKHFHSA-N 0 0 494.617 4.565 40 0 JJABRN Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013151212 555358814 /nfs/dbraw/zinc/35/88/14/555358814.db2.gz STKSGQOBJZOBDX-JOCHJYFZSA-N 0 0 480.041 4.963 40 0 JJABRN CCc1ccc(-n2c3nnc(SCC(=O)Nc4ccc(F)cc4F)n3c3ccccc3c2=O)cc1 ZINC000009666263 555378500 /nfs/dbraw/zinc/37/85/00/555378500.db2.gz QSBVXSJCEQFFRN-UHFFFAOYSA-N 0 0 491.523 4.605 40 0 JJABRN COc1ccc(N(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013494351 555404152 /nfs/dbraw/zinc/40/41/52/555404152.db2.gz KPUKNNRPPCNMMH-QFIPXVFZSA-N 0 0 468.554 4.523 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494457 555404540 /nfs/dbraw/zinc/40/45/40/555404540.db2.gz BDYPFJZFWYTSDQ-XMMPIXPASA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495290 555407225 /nfs/dbraw/zinc/40/72/25/555407225.db2.gz WASZFCZBFRWWGQ-QHCPKHFHSA-N 0 0 459.598 4.517 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495117 555407323 /nfs/dbraw/zinc/40/73/23/555407323.db2.gz RYBDFVGYGRZVPI-RUZDIDTESA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495641 555408486 /nfs/dbraw/zinc/40/84/86/555408486.db2.gz LZSGDDFSXZPXGW-QHCPKHFHSA-N 0 0 460.582 4.993 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495631 555408585 /nfs/dbraw/zinc/40/85/85/555408585.db2.gz ZYCUVFGDCJEAIY-AREMUKBSSA-N 0 0 482.588 4.812 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495742 555409211 /nfs/dbraw/zinc/40/92/11/555409211.db2.gz UVPLWQRVTFICAF-JOCHJYFZSA-N 0 0 474.590 4.679 40 0 JJABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1 ZINC000013497822 555415326 /nfs/dbraw/zinc/41/53/26/555415326.db2.gz PYJIZBMQZZQQIV-VWLOTQADSA-N 0 0 482.602 4.730 40 0 JJABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497788 555415337 /nfs/dbraw/zinc/41/53/37/555415337.db2.gz XLLXBIYTPQPUQM-VWLOTQADSA-N 0 0 463.603 4.918 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1OC ZINC000013497836 555415691 /nfs/dbraw/zinc/41/56/91/555415691.db2.gz PLFTZKROYVHKKL-VWLOTQADSA-N 0 0 493.629 4.532 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1 ZINC000013497935 555416612 /nfs/dbraw/zinc/41/66/12/555416612.db2.gz ZBTTVHUYIFYWDS-XMMPIXPASA-N 0 0 452.576 4.721 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498370 555420167 /nfs/dbraw/zinc/42/01/67/555420167.db2.gz BSKDPCSRQNGYJS-VWLOTQADSA-N 0 0 476.598 4.911 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498486 555421158 /nfs/dbraw/zinc/42/11/58/555421158.db2.gz RBWFZDDOFWTDLX-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498508 555421286 /nfs/dbraw/zinc/42/12/86/555421286.db2.gz YUZFHXSGPSDFFF-XMMPIXPASA-N 0 0 460.582 4.931 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498673 555423425 /nfs/dbraw/zinc/42/34/25/555423425.db2.gz AEIIFEMKYFAWME-AREMUKBSSA-N 0 0 498.587 4.564 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498748 555424155 /nfs/dbraw/zinc/42/41/55/555424155.db2.gz OCOKMLGGANJRDH-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN CCC[C@@H](c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499598 555433515 /nfs/dbraw/zinc/43/35/15/555433515.db2.gz MJLGWOYINJCZNW-SANMLTNESA-N 0 0 488.636 4.630 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n21)CC[C@H](C)C3 ZINC000013499789 555434723 /nfs/dbraw/zinc/43/47/23/555434723.db2.gz WXCKFZCCRJDUIS-ZDUSSCGKSA-N 0 0 495.630 4.528 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n21)CC[C@@H](C)C3 ZINC000013499790 555434761 /nfs/dbraw/zinc/43/47/61/555434761.db2.gz WXCKFZCCRJDUIS-CYBMUJFWSA-N 0 0 495.630 4.528 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc5c(c4)OCCO5)n21)CC[C@@H](C)C3 ZINC000013499849 555434942 /nfs/dbraw/zinc/43/49/42/555434942.db2.gz ZEYFUPPQBZIHBS-CYBMUJFWSA-N 0 0 480.615 4.772 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCc5ccccc5C4)n21)CC[C@H](C)C3 ZINC000013499810 555434965 /nfs/dbraw/zinc/43/49/65/555434965.db2.gz KCIPIFZCRXGXNP-HNNXBMFYSA-N 0 0 477.659 4.703 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)n21)CC[C@@H](C)C3 ZINC000013499859 555434989 /nfs/dbraw/zinc/43/49/89/555434989.db2.gz JXDANEHWXOPXHJ-CYBMUJFWSA-N 0 0 494.646 4.715 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4OC)n21)CCCC3 ZINC000013499872 555435495 /nfs/dbraw/zinc/43/54/95/555435495.db2.gz MQRXOYPZWSWSPJ-UHFFFAOYSA-N 0 0 453.593 4.520 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(C(C)=O)c4)n21)CCCC3 ZINC000013499880 555435507 /nfs/dbraw/zinc/43/55/07/555435507.db2.gz UEUGOPMKALTFJQ-UHFFFAOYSA-N 0 0 465.604 4.714 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500207 555437880 /nfs/dbraw/zinc/43/78/80/555437880.db2.gz SBFQIUBZEYHVIW-XMMPIXPASA-N 0 0 458.610 4.978 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500909 555445138 /nfs/dbraw/zinc/44/51/38/555445138.db2.gz LPNOBIVAZAKTOJ-QHCPKHFHSA-N 0 0 472.549 4.601 40 0 JJABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500964 555445800 /nfs/dbraw/zinc/44/58/00/555445800.db2.gz CLJVDSHSPCHWIN-XUZZJYLKSA-N 0 0 492.649 4.607 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501146 555447714 /nfs/dbraw/zinc/44/77/14/555447714.db2.gz KYBSEIOYXZWBAQ-AREMUKBSSA-N 0 0 486.620 4.776 40 0 JJABRN CCc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 ZINC000013501344 555449248 /nfs/dbraw/zinc/44/92/48/555449248.db2.gz ZBFARLFDMIWNIH-HHHXNRCGSA-N 0 0 490.579 4.801 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501349 555449262 /nfs/dbraw/zinc/44/92/62/555449262.db2.gz BNSGRKXLYMVZBB-HHHXNRCGSA-N 0 0 490.579 4.855 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000013501449 555449780 /nfs/dbraw/zinc/44/97/80/555449780.db2.gz NXHFGWHHHIWHAD-AREMUKBSSA-N 0 0 490.579 4.937 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC000013501474 555449844 /nfs/dbraw/zinc/44/98/44/555449844.db2.gz PXNFMARXUWXTRY-RUZDIDTESA-N 0 0 494.542 4.768 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2nccs2)C2CCCC2)cc1 ZINC000013501693 555450993 /nfs/dbraw/zinc/45/09/93/555450993.db2.gz XMOYVFOERYJICA-XMMPIXPASA-N 0 0 482.650 4.742 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1C ZINC000013501759 555451118 /nfs/dbraw/zinc/45/11/18/555451118.db2.gz JLFZZUVMTCENOW-XMMPIXPASA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013501785 555451500 /nfs/dbraw/zinc/45/15/00/555451500.db2.gz GGIFCIWJQMJEAI-HSZRJFAPSA-N 0 0 496.608 4.999 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501820 555451527 /nfs/dbraw/zinc/45/15/27/555451527.db2.gz BMYMRKQAGNVOEE-DEOSSOPVSA-N 0 0 492.645 4.855 40 0 JJABRN C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c1)c1ccccc1O2 ZINC000009615043 555452086 /nfs/dbraw/zinc/45/20/86/555452086.db2.gz KDQLJDIDRMQXLL-CUBQBAPOSA-N 0 0 486.547 4.558 40 0 JJABRN COc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC ZINC000013502075 555452508 /nfs/dbraw/zinc/45/25/08/555452508.db2.gz VYTLSVAKSLHFDX-XMMPIXPASA-N 0 0 479.602 4.997 40 0 JJABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)c1 ZINC000013502187 555453238 /nfs/dbraw/zinc/45/32/38/555453238.db2.gz GORBYQQRLIKSSY-RUZDIDTESA-N 0 0 493.629 4.993 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(OC)cc2)cc1 ZINC000013502344 555454597 /nfs/dbraw/zinc/45/45/97/555454597.db2.gz UYGJFMVRKPYSMD-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN COC(=O)c1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)CCCC5)c1 ZINC000013502526 555455863 /nfs/dbraw/zinc/45/58/63/555455863.db2.gz WXGIDJPGMUPDGQ-UHFFFAOYSA-N 0 0 495.630 4.859 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013502699 555456982 /nfs/dbraw/zinc/45/69/82/555456982.db2.gz FOMAJMGDBGALBY-CALCHBBNSA-N 0 0 470.668 4.915 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)ccn2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013503710 555461622 /nfs/dbraw/zinc/46/16/22/555461622.db2.gz PEZLOXKGAZHYKO-HHHXNRCGSA-N 0 0 490.579 4.855 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)o1 ZINC000013506014 555469306 /nfs/dbraw/zinc/46/93/06/555469306.db2.gz UQDNQUHRSZGMRK-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(C)c1 ZINC000013506606 555472627 /nfs/dbraw/zinc/47/26/27/555472627.db2.gz JHOUVEPAXIHFQL-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013506609 555472651 /nfs/dbraw/zinc/47/26/51/555472651.db2.gz CIRWZVFTDSQRHU-AREMUKBSSA-N 0 0 491.563 4.544 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506771 555473657 /nfs/dbraw/zinc/47/36/57/555473657.db2.gz YAFBEDFPHDIZJS-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507042 555475107 /nfs/dbraw/zinc/47/51/07/555475107.db2.gz XMJZHYMKHOAVIZ-SANMLTNESA-N 0 0 491.588 4.555 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507466 555476262 /nfs/dbraw/zinc/47/62/62/555476262.db2.gz PGBMUHPJEGENHM-VWLOTQADSA-N 0 0 495.526 4.511 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(F)c2)o1 ZINC000013507553 555476567 /nfs/dbraw/zinc/47/65/67/555476567.db2.gz ROXMGDHHQFQOLX-RUZDIDTESA-N 0 0 495.551 4.582 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccco1)c1ccccc1F ZINC000013507850 555477188 /nfs/dbraw/zinc/47/71/88/555477188.db2.gz NOONKGPXBQKJDQ-SANMLTNESA-N 0 0 491.563 4.680 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccco1)c1ccccc1 ZINC000013507866 555477255 /nfs/dbraw/zinc/47/72/55/555477255.db2.gz ZTOXRNFLDDQZON-SANMLTNESA-N 0 0 473.573 4.541 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000013511632 555483258 /nfs/dbraw/zinc/48/32/58/555483258.db2.gz YCMILKZBBLKCRP-XMMPIXPASA-N 0 0 479.053 4.851 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](OC(=O)c2cc3sccc3n2C)c2ccc(C)cc2)cc1OC ZINC000013561525 555494666 /nfs/dbraw/zinc/49/46/66/555494666.db2.gz YVZHEROVAVFJLB-VWLOTQADSA-N 0 0 492.597 4.822 40 0 JJABRN Cc1nnc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2cnn3-c2ccccc2)s1 ZINC000013561695 555494838 /nfs/dbraw/zinc/49/48/38/555494838.db2.gz XJTMXJKGMXHVQM-UHFFFAOYSA-N 0 0 477.550 4.512 40 0 JJABRN Cc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000013562400 555496792 /nfs/dbraw/zinc/49/67/92/555496792.db2.gz ZEDVCUQCLXCJDK-KDURUIRLSA-N 0 0 450.608 4.865 40 0 JJABRN C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000013562365 555496798 /nfs/dbraw/zinc/49/67/98/555496798.db2.gz KSDBOORIINVUIM-OALUTQOASA-N 0 0 462.619 4.507 40 0 JJABRN C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000013562358 555496816 /nfs/dbraw/zinc/49/68/16/555496816.db2.gz KSDBOORIINVUIM-RTBURBONSA-N 0 0 462.619 4.507 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000013564465 555499270 /nfs/dbraw/zinc/49/92/70/555499270.db2.gz UWHMUMGXJGEUJM-XMMPIXPASA-N 0 0 477.630 4.784 40 0 JJABRN O=C(CN1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 ZINC000013564955 555500259 /nfs/dbraw/zinc/50/02/59/555500259.db2.gz IVYLGJDAYKPPOY-UHFFFAOYSA-N 0 0 464.566 4.577 40 0 JJABRN O=C(CN1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564957 555500341 /nfs/dbraw/zinc/50/03/41/555500341.db2.gz DPMWUISJWWDLEV-UHFFFAOYSA-N 0 0 464.566 4.577 40 0 JJABRN CCSc1nnc([C@@H]2CCCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565140 555501275 /nfs/dbraw/zinc/50/12/75/555501275.db2.gz NFVJNJQRWPQVOA-CYBMUJFWSA-N 0 0 475.968 4.900 40 0 JJABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)n1c2ccccc2c2ccccc21 ZINC000013572879 555511498 /nfs/dbraw/zinc/51/14/98/555511498.db2.gz JPBUMFVCFDJDQE-ZWKOTPCHSA-N 0 0 473.623 4.734 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856397 555515404 /nfs/dbraw/zinc/51/54/04/555515404.db2.gz FYLGVVRIZMWDOF-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000019856365 555515411 /nfs/dbraw/zinc/51/54/11/555515411.db2.gz KEVMQZSUAZXKCB-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000019856420 555515712 /nfs/dbraw/zinc/51/57/12/555515712.db2.gz AYAWKZDVQWVLRJ-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000013580729 555519149 /nfs/dbraw/zinc/51/91/49/555519149.db2.gz VCMUNOPUMRUQAF-GOSISDBHSA-N 0 0 484.549 4.666 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581834 555519781 /nfs/dbraw/zinc/51/97/81/555519781.db2.gz SDLJSIDUFDMSJW-UHFFFAOYSA-N 0 0 479.385 4.775 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581837 555519802 /nfs/dbraw/zinc/51/98/02/555519802.db2.gz DKIHOOSMTWCSFB-UHFFFAOYSA-N 0 0 479.385 4.775 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc2sc(C(=O)NCc3cccnc3)cc2c1 ZINC000013584357 555521885 /nfs/dbraw/zinc/52/18/85/555521885.db2.gz KXOSECHPKVCSIF-UHFFFAOYSA-N 0 0 486.018 4.846 40 0 JJABRN CC(C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584489 555522200 /nfs/dbraw/zinc/52/22/00/555522200.db2.gz YTDUAVAMSRRIGX-UHFFFAOYSA-N 0 0 467.410 4.627 40 0 JJABRN O=C(NCCSCc1c(Cl)cccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868800 555523379 /nfs/dbraw/zinc/52/33/79/555523379.db2.gz OMFBTFWZZZWNJD-CQSZACIVSA-N 0 0 493.503 4.505 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(Cl)cc1Cl ZINC000019869016 555523658 /nfs/dbraw/zinc/52/36/58/555523658.db2.gz VDSAMEYGSKFEJU-UHFFFAOYSA-N 0 0 465.333 4.625 40 0 JJABRN Nc1c2cccnc2sc1-c1nnc(SCC(=O)Oc2ccccc2)n1C1CCCC1 ZINC000019894313 555532256 /nfs/dbraw/zinc/53/22/56/555532256.db2.gz DUXAMGCCCUCSSO-UHFFFAOYSA-N 0 0 451.577 4.950 40 0 JJABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000009831472 555533688 /nfs/dbraw/zinc/53/36/88/555533688.db2.gz ZXHMXAAJLOPUAY-UHFFFAOYSA-N 0 0 493.901 4.595 40 0 JJABRN O=c1cc(-c2ccc3ccccc3c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611787 555534328 /nfs/dbraw/zinc/53/43/28/555534328.db2.gz DYQFEWIBALUKQG-UHFFFAOYSA-N 0 0 450.464 4.936 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 ZINC000013612641 555534772 /nfs/dbraw/zinc/53/47/72/555534772.db2.gz HTXXHSMFCBKATH-UHFFFAOYSA-N 0 0 477.413 4.938 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1C ZINC000013613272 555535295 /nfs/dbraw/zinc/53/52/95/555535295.db2.gz QKJRIKDRHPWSLU-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000013613753 555535639 /nfs/dbraw/zinc/53/56/39/555535639.db2.gz GKICPIJZVYUAEP-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013632265 555541807 /nfs/dbraw/zinc/54/18/07/555541807.db2.gz VTLIUKIIKYMPMF-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000013632389 555542183 /nfs/dbraw/zinc/54/21/83/555542183.db2.gz LXJCHFMWXZCWNH-UHFFFAOYSA-N 0 0 464.631 4.941 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1ccccc1C(F)(F)F ZINC000019927835 555542950 /nfs/dbraw/zinc/54/29/50/555542950.db2.gz WVEMKFBPNGFZGI-UHFFFAOYSA-N 0 0 457.275 4.984 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3ccccc3Cl)n1)CCCC2 ZINC000019928162 555543325 /nfs/dbraw/zinc/54/33/25/555543325.db2.gz KCYUCPKADXIOOT-UHFFFAOYSA-N 0 0 477.011 4.973 40 0 JJABRN CCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nnc1-c1ccc(Cl)cc1 ZINC000019928813 555544646 /nfs/dbraw/zinc/54/46/46/555544646.db2.gz QZALTTVIMYVQOO-UHFFFAOYSA-N 0 0 457.943 4.978 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635557 555545047 /nfs/dbraw/zinc/54/50/47/555545047.db2.gz FSMKTOUCBGEZIH-DEOSSOPVSA-N 0 0 466.379 4.725 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2nnc3c(-c4cccc5ccccc54)c(C)nn3c2C)c1 ZINC000013635745 555545112 /nfs/dbraw/zinc/54/51/12/555545112.db2.gz CJNFHZWYRYDQFI-UHFFFAOYSA-N 0 0 453.502 4.831 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1OC ZINC000019929106 555545350 /nfs/dbraw/zinc/54/53/50/555545350.db2.gz HLLDJRLZKZXUIJ-UHFFFAOYSA-N 0 0 460.899 4.662 40 0 JJABRN COCc1nn2c(ncc3c2C[C@@H](c2ccco2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638403 555545889 /nfs/dbraw/zinc/54/58/89/555545889.db2.gz YOOHANBRTVSOAZ-CQSZACIVSA-N 0 0 452.308 4.811 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929360 555546080 /nfs/dbraw/zinc/54/60/80/555546080.db2.gz SRUVPMSIEYEBME-UHFFFAOYSA-N 0 0 488.411 4.725 40 0 JJABRN CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929715 555546923 /nfs/dbraw/zinc/54/69/23/555546923.db2.gz INLAZUJFTRKFBA-UHFFFAOYSA-N 0 0 465.786 4.613 40 0 JJABRN CCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019930004 555547125 /nfs/dbraw/zinc/54/71/25/555547125.db2.gz LZCMFZMBZYCUKC-UHFFFAOYSA-N 0 0 498.445 4.691 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019930982 555548197 /nfs/dbraw/zinc/54/81/97/555548197.db2.gz FRAIWFCSMCJMNK-SBUREZEXSA-N 0 0 489.062 4.829 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccccc1 ZINC000019931740 555549183 /nfs/dbraw/zinc/54/91/83/555549183.db2.gz VRALWDACRFWJMP-NZQKXSOJSA-N 0 0 470.978 4.564 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000019932933 555550313 /nfs/dbraw/zinc/55/03/13/555550313.db2.gz SWQRZGTVEUGYSC-HXUWFJFHSA-N 0 0 466.603 4.851 40 0 JJABRN Cc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000013646121 555550542 /nfs/dbraw/zinc/55/05/42/555550542.db2.gz NYSCDQYQMMDYQS-OAQYLSRUSA-N 0 0 466.603 4.691 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000019935330 555552583 /nfs/dbraw/zinc/55/25/83/555552583.db2.gz ODYVJDMSIZZTFU-UHFFFAOYSA-N 0 0 497.322 4.814 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000019935476 555552827 /nfs/dbraw/zinc/55/28/27/555552827.db2.gz VPDBTRHSIRCLOC-UHFFFAOYSA-N 0 0 497.322 4.814 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000013648709 555553233 /nfs/dbraw/zinc/55/32/33/555553233.db2.gz UOVCBXHRRGNSBX-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000013649375 555553587 /nfs/dbraw/zinc/55/35/87/555553587.db2.gz KIKNOAXWIFSMKV-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccc(OC)c(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936083 555553688 /nfs/dbraw/zinc/55/36/88/555553688.db2.gz YAGSORWIFGCTGK-QFIPXVFZSA-N 0 0 488.993 4.748 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013649544 555553754 /nfs/dbraw/zinc/55/37/54/555553754.db2.gz SCXPYBRIQIPRQT-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000013649523 555553830 /nfs/dbraw/zinc/55/38/30/555553830.db2.gz GYLXGNNQSHISPX-SFHVURJKSA-N 0 0 485.005 4.830 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(F)c(F)c2F)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936297 555554275 /nfs/dbraw/zinc/55/42/75/555554275.db2.gz YNYQBMIWRZDFCY-HXUWFJFHSA-N 0 0 478.492 4.503 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937828 555554643 /nfs/dbraw/zinc/55/46/43/555554643.db2.gz UTRGKZJASABIAF-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937917 555554880 /nfs/dbraw/zinc/55/48/80/555554880.db2.gz GUNLPCCOWSHUMX-UHFFFAOYSA-N 0 0 478.492 4.938 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937915 555554967 /nfs/dbraw/zinc/55/49/67/555554967.db2.gz AKQWQDOGTSATMS-UHFFFAOYSA-N 0 0 462.930 4.712 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938079 555555454 /nfs/dbraw/zinc/55/54/54/555555454.db2.gz ACSFYKJSKHRTJW-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN Cc1cccc(CCCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000013668332 555557159 /nfs/dbraw/zinc/55/71/59/555557159.db2.gz 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COc1ccc(Cl)cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678923 555570119 /nfs/dbraw/zinc/57/01/19/555570119.db2.gz LZJXBXNPIZUNGB-OAQYLSRUSA-N 0 0 493.368 4.597 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013679269 555570663 /nfs/dbraw/zinc/57/06/63/555570663.db2.gz LQFMAFDPLREMKC-OAQYLSRUSA-N 0 0 456.951 4.552 40 0 JJABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1Cl ZINC000013679443 555571307 /nfs/dbraw/zinc/57/13/07/555571307.db2.gz OKFVMIXUKGCPJR-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)ccc1Br ZINC000013680294 555572565 /nfs/dbraw/zinc/57/25/65/555572565.db2.gz SOHBVWIWZGHYOY-UHFFFAOYSA-N 0 0 465.394 4.896 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1Cl ZINC000013681296 555574334 /nfs/dbraw/zinc/57/43/34/555574334.db2.gz OOZQIRGJJTWSLE-UHFFFAOYSA-N 0 0 455.407 4.976 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009973675 555574581 /nfs/dbraw/zinc/57/45/81/555574581.db2.gz KDACBAVXQRKICU-LBPRGKRZSA-N 0 0 492.222 4.795 40 0 JJABRN CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000013682443 555575762 /nfs/dbraw/zinc/57/57/62/555575762.db2.gz ICKQZLNCDMGHCO-MRXNPFEDSA-N 0 0 485.433 4.961 40 0 JJABRN Cc1ccc(NC(SCc2ccc(Cl)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973874 555575813 /nfs/dbraw/zinc/57/58/13/555575813.db2.gz OVANHEWGAYYSTR-UHFFFAOYSA-N 0 0 464.374 4.909 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NC(C)C ZINC000013683007 555576560 /nfs/dbraw/zinc/57/65/60/555576560.db2.gz DKFJOFLZYPIQFB-UHFFFAOYSA-N 0 0 451.759 4.594 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000013683219 555576889 /nfs/dbraw/zinc/57/68/89/555576889.db2.gz AYHPLGRLNZUCLZ-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000020004398 555577723 /nfs/dbraw/zinc/57/77/23/555577723.db2.gz YNKVNSUCCKWRAO-DEOSSOPVSA-N 0 0 450.604 4.757 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2cccc3ccccc32)cc1OC ZINC000013684193 555578246 /nfs/dbraw/zinc/57/82/46/555578246.db2.gz HPBOIFJWNLBISC-UHFFFAOYSA-N 0 0 484.552 4.847 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CCc2ccccc2)c(C)c1 ZINC000020004863 555578923 /nfs/dbraw/zinc/57/89/23/555578923.db2.gz HEXMURVUKPKKMT-ZEQKJWHPSA-N 0 0 478.658 4.639 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013685952 555579457 /nfs/dbraw/zinc/57/94/57/555579457.db2.gz WYKBQSTYXLKJNJ-JOCHJYFZSA-N 0 0 492.041 4.586 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686165 555579758 /nfs/dbraw/zinc/57/97/58/555579758.db2.gz JQXRZDIONKHCIG-NBGIEHNGSA-N 0 0 493.629 4.669 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005658 555579932 /nfs/dbraw/zinc/57/99/32/555579932.db2.gz SQFIXENRAOQOOP-DEOSSOPVSA-N 0 0 496.629 4.575 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1OCc1ccccc1 ZINC000013687083 555580485 /nfs/dbraw/zinc/58/04/85/555580485.db2.gz JSHVQLCLVDZALE-UHFFFAOYSA-N 0 0 450.560 4.693 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000020006209 555580740 /nfs/dbraw/zinc/58/07/40/555580740.db2.gz CWVBWGKPHHGNNE-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008176 555582747 /nfs/dbraw/zinc/58/27/47/555582747.db2.gz ANAKNZBIBGTWDP-HSZRJFAPSA-N 0 0 454.567 4.786 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1C ZINC000020008727 555583363 /nfs/dbraw/zinc/58/33/63/555583363.db2.gz CSVZXFOCSBGHSP-RUZDIDTESA-N 0 0 474.582 4.685 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000020009616 555585211 /nfs/dbraw/zinc/58/52/11/555585211.db2.gz YFAHHOLFIIUBGX-LJQANCHMSA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C2CCCCC2)cc1OC 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ZINC000014006577 555668561 /nfs/dbraw/zinc/66/85/61/555668561.db2.gz MJKBIUUPULMAAG-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(Br)c1 ZINC000020151816 555668863 /nfs/dbraw/zinc/66/88/63/555668863.db2.gz VMSRRTRLNWSKHU-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc2ccccc2cc1OC ZINC000020152297 555669880 /nfs/dbraw/zinc/66/98/80/555669880.db2.gz DJVWBFYGRVDHMS-UHFFFAOYSA-N 0 0 462.527 4.736 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020152614 555670542 /nfs/dbraw/zinc/67/05/42/555670542.db2.gz WQFXSDWSNHYLJO-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 ZINC000020152877 555670763 /nfs/dbraw/zinc/67/07/63/555670763.db2.gz WCGJJFUVHSUUDP-UHFFFAOYSA-N 0 0 454.548 4.753 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2ccccc2C)cc1 ZINC000010280717 555672291 /nfs/dbraw/zinc/67/22/91/555672291.db2.gz SSSSEKURODQLJN-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C ZINC000020153421 555672373 /nfs/dbraw/zinc/67/23/73/555672373.db2.gz KIYPYQCMIXGKRG-UHFFFAOYSA-N 0 0 489.391 4.954 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccccc3F)cc2)cc1 ZINC000010281381 555672566 /nfs/dbraw/zinc/67/25/66/555672566.db2.gz ZMAVZRVESAFSBO-UHFFFAOYSA-N 0 0 472.607 4.622 40 0 JJABRN CCc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000010281190 555672632 /nfs/dbraw/zinc/67/26/32/555672632.db2.gz GSQZIYZBYHFDFA-UHFFFAOYSA-N 0 0 486.634 4.633 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000010282197 555672869 /nfs/dbraw/zinc/67/28/69/555672869.db2.gz WBYHKACDWRFESN-UHFFFAOYSA-N 0 0 485.046 4.707 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C)c1 ZINC000010300991 555677726 /nfs/dbraw/zinc/67/77/26/555677726.db2.gz XYHXYZGWVGEIGT-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000010301062 555677803 /nfs/dbraw/zinc/67/78/03/555677803.db2.gz HEAFDZIKLOLYRL-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2C)cc1 ZINC000010314415 555679793 /nfs/dbraw/zinc/67/97/93/555679793.db2.gz XJTZDFUMUJGMEE-UHFFFAOYSA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314502 555680211 /nfs/dbraw/zinc/68/02/11/555680211.db2.gz KAICJSJSLIIZMJ-SFHVURJKSA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315025 555681319 /nfs/dbraw/zinc/68/13/19/555681319.db2.gz JSDYOZOAENOZHI-GOSISDBHSA-N 0 0 465.575 4.576 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3C)n1C)CCCC2 ZINC000014081713 555681516 /nfs/dbraw/zinc/68/15/16/555681516.db2.gz FGRCHEOBEFWHLD-UHFFFAOYSA-N 0 0 470.620 4.638 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010315120 555681568 /nfs/dbraw/zinc/68/15/68/555681568.db2.gz KLEFHCZWDWKSHY-UHFFFAOYSA-N 0 0 454.617 4.935 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccc(C)c3)n1C)CCCC2 ZINC000014081973 555681750 /nfs/dbraw/zinc/68/17/50/555681750.db2.gz LOILSMQPFTWKQP-UHFFFAOYSA-N 0 0 470.620 4.638 40 0 JJABRN C[C@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325340 555683992 /nfs/dbraw/zinc/68/39/92/555683992.db2.gz PZOZCEMRLMJFET-HNNXBMFYSA-N 0 0 471.376 4.841 40 0 JJABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014091718 555685027 /nfs/dbraw/zinc/68/50/27/555685027.db2.gz CKCSFGARJILEEK-UHFFFAOYSA-N 0 0 451.379 4.935 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3C[C@H]2C)cc1 ZINC000010326459 555685128 /nfs/dbraw/zinc/68/51/28/555685128.db2.gz OSQZJWOZYBCICS-QGZVFWFLSA-N 0 0 454.979 4.718 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010326390 555685138 /nfs/dbraw/zinc/68/51/38/555685138.db2.gz UAWCOUSAYQGDPV-UHFFFAOYSA-N 0 0 489.490 4.898 40 0 JJABRN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010328101 555686243 /nfs/dbraw/zinc/68/62/43/555686243.db2.gz NAMHKJKSABLGCY-UHFFFAOYSA-N 0 0 499.592 4.712 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010328126 555686511 /nfs/dbraw/zinc/68/65/11/555686511.db2.gz SXHWHBMZQVZXHW-UHFFFAOYSA-N 0 0 471.966 4.517 40 0 JJABRN Cc1cccc(CSCCNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000010328539 555686525 /nfs/dbraw/zinc/68/65/25/555686525.db2.gz TZXLUZYXHVGSDS-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccccc2)cc1)c1cccc(Cl)c1Cl ZINC000010329953 555687075 /nfs/dbraw/zinc/68/70/75/555687075.db2.gz IZVXQXLKUCIXMV-UHFFFAOYSA-N 0 0 477.413 4.932 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000010330726 555687486 /nfs/dbraw/zinc/68/74/86/555687486.db2.gz OXIOEYITHXWSPR-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN CC(C)Oc1cccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000010336724 555691596 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COc1ccc(N(CCCC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1Cl ZINC000010360210 555696372 /nfs/dbraw/zinc/69/63/72/555696372.db2.gz GXNILWKDXXOLAV-UHFFFAOYSA-N 0 0 453.004 4.965 40 0 JJABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000014126615 555697016 /nfs/dbraw/zinc/69/70/16/555697016.db2.gz DYKHECRHEQUFGW-UHFFFAOYSA-N 0 0 453.593 4.834 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000010370724 555699388 /nfs/dbraw/zinc/69/93/88/555699388.db2.gz LWRFUWVJBJTGSS-JTQLQIEISA-N 0 0 496.210 4.558 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)c2C)cc1 ZINC000010371418 555699652 /nfs/dbraw/zinc/69/96/52/555699652.db2.gz LKAQCZGKKCTBMP-UHFFFAOYSA-N 0 0 479.602 4.885 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000014137148 555704387 /nfs/dbraw/zinc/70/43/87/555704387.db2.gz ZKROXIRIJHUZKP-UHFFFAOYSA-N 0 0 466.485 4.732 40 0 JJABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 ZINC000014153266 555709061 /nfs/dbraw/zinc/70/90/61/555709061.db2.gz FWGWICGLEWDHAV-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000010434456 555709426 /nfs/dbraw/zinc/70/94/26/555709426.db2.gz YKKZPYRPWAZNMD-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014154413 555711558 /nfs/dbraw/zinc/71/15/58/555711558.db2.gz VLYHVLYSWIQERG-UHFFFAOYSA-N 0 0 498.714 4.829 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010442552 555711624 /nfs/dbraw/zinc/71/16/24/555711624.db2.gz CCIMBXBPRKKLJS-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000010442964 555711708 /nfs/dbraw/zinc/71/17/08/555711708.db2.gz FRBZAHMLIJZPOB-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000010444284 555712235 /nfs/dbraw/zinc/71/22/35/555712235.db2.gz GTWGTNKMJWOOLO-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000014154814 555712436 /nfs/dbraw/zinc/71/24/36/555712436.db2.gz JLEGVYKKZWWBSG-DEOSSOPVSA-N 0 0 452.601 4.884 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010445018 555712687 /nfs/dbraw/zinc/71/26/87/555712687.db2.gz HNGQKVQRPUGKCE-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014155080 555712762 /nfs/dbraw/zinc/71/27/62/555712762.db2.gz ZMPMXJXFRZTKTE-UHFFFAOYSA-N 0 0 462.618 4.627 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000014155298 555713404 /nfs/dbraw/zinc/71/34/04/555713404.db2.gz YXKGLFWEKHZJDM-UHFFFAOYSA-N 0 0 479.602 4.886 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(C)c1 ZINC000010447002 555713552 /nfs/dbraw/zinc/71/35/52/555713552.db2.gz BGIGPRJOLMFLSV-UHFFFAOYSA-N 0 0 466.559 4.558 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC ZINC000014155363 555713636 /nfs/dbraw/zinc/71/36/36/555713636.db2.gz ADAIBAJDXHUOKI-UHFFFAOYSA-N 0 0 474.966 4.743 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010448777 555714784 /nfs/dbraw/zinc/71/47/84/555714784.db2.gz LQMTWYOFIZMXPD-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000010449503 555715336 /nfs/dbraw/zinc/71/53/36/555715336.db2.gz DJDOXVAHLJRORA-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000010449491 555715348 /nfs/dbraw/zinc/71/53/48/555715348.db2.gz NHPXCPTUOYIZIZ-UHFFFAOYSA-N 0 0 485.403 4.624 40 0 JJABRN C[C@H]1CCCN(C(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)C1 ZINC000010541715 555724859 /nfs/dbraw/zinc/72/48/59/555724859.db2.gz INQZEZMMNXJPMH-HNNXBMFYSA-N 0 0 455.407 4.832 40 0 JJABRN C[C@@H]1CCCN(C(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)C1 ZINC000010541705 555724879 /nfs/dbraw/zinc/72/48/79/555724879.db2.gz IQAIPLPQRDIIPR-OAHLLOKOSA-N 0 0 455.407 4.832 40 0 JJABRN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000010543810 555725683 /nfs/dbraw/zinc/72/56/83/555725683.db2.gz SGZBIVDGFVZYAA-UHFFFAOYSA-N 0 0 464.356 4.787 40 0 JJABRN Cc1ccc(SCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236105 555729179 /nfs/dbraw/zinc/72/91/79/555729179.db2.gz MJKYOPIWAXTCMB-UHFFFAOYSA-N 0 0 472.607 4.546 40 0 JJABRN Cc1ccc(CSCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236152 555729465 /nfs/dbraw/zinc/72/94/65/555729465.db2.gz JXRASSWZQAPSJW-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2cccc(Cl)c2C)cc1 ZINC000020236423 555729711 /nfs/dbraw/zinc/72/97/11/555729711.db2.gz PPQVCFXDVHNBEU-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236481 555730000 /nfs/dbraw/zinc/73/00/00/555730000.db2.gz APCODCIPEQIFAZ-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN COc1ccc(CCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236484 555730006 /nfs/dbraw/zinc/73/00/06/555730006.db2.gz HKPFKULDMBPOGF-UHFFFAOYSA-N 0 0 487.021 4.520 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S(C)(=O)=O)c1 ZINC000020237003 555730766 /nfs/dbraw/zinc/73/07/66/555730766.db2.gz LIAHMTCJUJETRX-UHFFFAOYSA-N 0 0 481.599 4.685 40 0 JJABRN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000010691612 555732957 /nfs/dbraw/zinc/73/29/57/555732957.db2.gz ZWVABJSODZJQDG-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692623 555733509 /nfs/dbraw/zinc/73/35/09/555733509.db2.gz CIXORNUKBVZGCQ-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692388 555733546 /nfs/dbraw/zinc/73/35/46/555733546.db2.gz OAYCBYHJBOONRG-UHFFFAOYSA-N 0 0 471.406 4.573 40 0 JJABRN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000010693211 555733723 /nfs/dbraw/zinc/73/37/23/555733723.db2.gz JXXUKPVWECECJW-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020239570 555733978 /nfs/dbraw/zinc/73/39/78/555733978.db2.gz BYRWTNFJUYHLQW-UHFFFAOYSA-N 0 0 475.035 4.828 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(C)cc2s1 ZINC000014269660 555759838 /nfs/dbraw/zinc/75/98/38/555759838.db2.gz OHDSHCAJXLXFKI-UHFFFAOYSA-N 0 0 450.383 4.811 40 0 JJABRN O=C(Nc1ccccc1Oc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000011118228 555760385 /nfs/dbraw/zinc/76/03/85/555760385.db2.gz ZNYCKLPNJZVLNU-UHFFFAOYSA-N 0 0 454.523 4.657 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl ZINC000014271231 555765477 /nfs/dbraw/zinc/76/54/77/555765477.db2.gz YYDCHAOXPFLVLZ-UHFFFAOYSA-N 0 0 453.951 4.657 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)c(F)c1F ZINC000014271309 555765819 /nfs/dbraw/zinc/76/58/19/555765819.db2.gz MQVKMLXMCXFLFU-UHFFFAOYSA-N 0 0 455.477 4.615 40 0 JJABRN COc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1 ZINC000011196737 555765994 /nfs/dbraw/zinc/76/59/94/555765994.db2.gz RGDKPNOIXCKMKM-UHFFFAOYSA-N 0 0 460.559 4.991 40 0 JJABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014271555 555766748 /nfs/dbraw/zinc/76/67/48/555766748.db2.gz ARYKITITFYAOAT-LBPRGKRZSA-N 0 0 450.029 4.778 40 0 JJABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1OC ZINC000014272650 555770524 /nfs/dbraw/zinc/77/05/24/555770524.db2.gz QXURBHOXYVRORV-UHFFFAOYSA-N 0 0 454.280 4.922 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000014272781 555771026 /nfs/dbraw/zinc/77/10/26/555771026.db2.gz NWGRPHKFUVJWMP-UHFFFAOYSA-N 0 0 459.550 4.845 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(I)cc1 ZINC000014272876 555771356 /nfs/dbraw/zinc/77/13/56/555771356.db2.gz IAPHJPLXRPZFNA-XNWCZRBMSA-N 0 0 458.093 4.714 40 0 JJABRN COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(F)c1F ZINC000014273330 555772724 /nfs/dbraw/zinc/77/27/24/555772724.db2.gz ZDGIBILDRMAECI-QMMMGPOBSA-N 0 0 458.477 4.815 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)c2C(N)=O)C1 ZINC000014273344 555773082 /nfs/dbraw/zinc/77/30/82/555773082.db2.gz ZCDYZXJOWVORLG-CQSZACIVSA-N 0 0 458.539 4.998 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccnc1Cl ZINC000014273552 555773610 /nfs/dbraw/zinc/77/36/10/555773610.db2.gz YPVNTUSAZKIGQM-UHFFFAOYSA-N 0 0 455.345 4.603 40 0 JJABRN O=C(COc1cccc2ccccc21)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000014273568 555773680 /nfs/dbraw/zinc/77/36/80/555773680.db2.gz TVFJFQJEQOZHSI-UHFFFAOYSA-N 0 0 471.582 4.881 40 0 JJABRN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014273772 555774533 /nfs/dbraw/zinc/77/45/33/555774533.db2.gz WGMIBYMCFMLHDA-UHFFFAOYSA-N 0 0 487.538 4.512 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1Cl ZINC000014273917 555775115 /nfs/dbraw/zinc/77/51/15/555775115.db2.gz PXXHHCKWKJADJR-UHFFFAOYSA-N 0 0 493.401 4.603 40 0 JJABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nn12 ZINC000014273995 555775375 /nfs/dbraw/zinc/77/53/75/555775375.db2.gz GGQZOFXCMAMEOL-UHFFFAOYSA-N 0 0 498.637 4.887 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1Cl ZINC000014274450 555776726 /nfs/dbraw/zinc/77/67/26/555776726.db2.gz PNKCMXVESANGPC-UHFFFAOYSA-N 0 0 481.965 4.526 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c(OC)cc1Cl ZINC000014274474 555776736 /nfs/dbraw/zinc/77/67/36/555776736.db2.gz YIBLVLXCHPRGIC-UHFFFAOYSA-N 0 0 473.776 4.564 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)CC45CC6CC(CC(C6)C4)C5)c3C)nn12 ZINC000014274603 555777374 /nfs/dbraw/zinc/77/73/74/555777374.db2.gz DBQCRTZGVVQORN-UHFFFAOYSA-N 0 0 480.663 4.889 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000011397718 555777367 /nfs/dbraw/zinc/77/73/67/555777367.db2.gz YAHMVDTVLUZHQO-UHFFFAOYSA-N 0 0 453.498 4.964 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)c(OC)c1 ZINC000014276039 555782906 /nfs/dbraw/zinc/78/29/06/555782906.db2.gz XIAAXCZGLQNOAY-UHFFFAOYSA-N 0 0 475.979 4.798 40 0 JJABRN CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000014276857 555784508 /nfs/dbraw/zinc/78/45/08/555784508.db2.gz GYZMLSDOHGPNOK-UHFFFAOYSA-N 0 0 497.020 4.704 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000014276738 555784559 /nfs/dbraw/zinc/78/45/59/555784559.db2.gz VNPNPRVLKWMFKC-UHFFFAOYSA-N 0 0 481.021 4.679 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)CC1 ZINC000014276898 555784730 /nfs/dbraw/zinc/78/47/30/555784730.db2.gz KTXIAYPFVSQONT-CSKARUKUSA-N 0 0 491.444 4.578 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1C ZINC000020411116 555788429 /nfs/dbraw/zinc/78/84/29/555788429.db2.gz XFUNDMQJSSZTSG-UHFFFAOYSA-N 0 0 450.545 4.885 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)CC2)c1 ZINC000020411605 555789304 /nfs/dbraw/zinc/78/93/04/555789304.db2.gz DPVIRUSSOZJFDQ-UHFFFAOYSA-N 0 0 473.573 4.535 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020461235 555791459 /nfs/dbraw/zinc/79/14/59/555791459.db2.gz IBWBWTLJJKDQOR-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014291009 555791648 /nfs/dbraw/zinc/79/16/48/555791648.db2.gz HMTAYMCWSLBYIF-INIZCTEOSA-N 0 0 488.371 4.955 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000014291147 555792274 /nfs/dbraw/zinc/79/22/74/555792274.db2.gz DXCFNLSGHUSLKK-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000014291367 555793370 /nfs/dbraw/zinc/79/33/70/555793370.db2.gz ZGEWITQPKYAUSP-UHFFFAOYSA-N 0 0 451.552 4.619 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cc(Br)ccc1Cl ZINC000020528938 555793571 /nfs/dbraw/zinc/79/35/71/555793571.db2.gz OLYHYYZPHZMEFS-UHFFFAOYSA-N 0 0 490.707 4.566 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000014398528 555804213 /nfs/dbraw/zinc/80/42/13/555804213.db2.gz HVSACFQGULOOLL-UHFFFAOYSA-N 0 0 493.453 4.728 40 0 JJABRN CN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000014398401 555804289 /nfs/dbraw/zinc/80/42/89/555804289.db2.gz NTUNGDUKOUTAHI-UHFFFAOYSA-N 0 0 474.966 4.541 40 0 JJABRN O=C(c1cccnc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020533259 555804513 /nfs/dbraw/zinc/80/45/13/555804513.db2.gz MXYHLTNFNXEKMO-IYXIZZNPSA-N 0 0 479.964 4.693 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 ZINC000014400174 555805555 /nfs/dbraw/zinc/80/55/55/555805555.db2.gz GLNKJUGABLUKMU-UHFFFAOYSA-N 0 0 454.548 4.602 40 0 JJABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000014401695 555806758 /nfs/dbraw/zinc/80/67/58/555806758.db2.gz RKPOHVOTAMXUKD-UHFFFAOYSA-N 0 0 453.402 4.559 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(OC)cc3)cc2)cc1 ZINC000014401795 555806773 /nfs/dbraw/zinc/80/67/73/555806773.db2.gz GOAYMHHOUARIDB-XMMPIXPASA-N 0 0 484.574 4.691 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1C ZINC000014410920 555810110 /nfs/dbraw/zinc/81/01/10/555810110.db2.gz HUZNFUDHQVBOET-UHFFFAOYSA-N 0 0 480.586 4.617 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000014411249 555810376 /nfs/dbraw/zinc/81/03/76/555810376.db2.gz WPGKKOGAKZBKGN-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014412995 555812263 /nfs/dbraw/zinc/81/22/63/555812263.db2.gz RLMPJHFBIRHDIJ-UHFFFAOYSA-N 0 0 459.420 4.650 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000014413456 555812608 /nfs/dbraw/zinc/81/26/08/555812608.db2.gz INUMKGXRESNKLZ-UHFFFAOYSA-N 0 0 474.966 4.936 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000014413674 555812942 /nfs/dbraw/zinc/81/29/42/555812942.db2.gz WDVOXUHMPVNNDX-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000014413555 555812984 /nfs/dbraw/zinc/81/29/84/555812984.db2.gz XWLFOYLNKTXMPS-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000014496001 555815077 /nfs/dbraw/zinc/81/50/77/555815077.db2.gz JMKVQUDCBTXYFO-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582544 555835402 /nfs/dbraw/zinc/83/54/02/555835402.db2.gz BVHDPJGHKVGHIC-LBPRGKRZSA-N 0 0 450.383 4.999 40 0 JJABRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000014785083 555839635 /nfs/dbraw/zinc/83/96/35/555839635.db2.gz LSQQLPXMTMTPQT-UHFFFAOYSA-N 0 0 467.776 4.731 40 0 JJABRN Cc1cc(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000011866965 555843101 /nfs/dbraw/zinc/84/31/01/555843101.db2.gz CPVKNKCKVVLCRB-AZMCGESQSA-N 0 0 489.612 4.922 40 0 JJABRN CCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1OC)sc1c2CCCC1 ZINC000020862042 555848466 /nfs/dbraw/zinc/84/84/66/555848466.db2.gz OBMALEMBDDMQAF-UHFFFAOYSA-N 0 0 464.012 4.750 40 0 JJABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000021577662 555851596 /nfs/dbraw/zinc/85/15/96/555851596.db2.gz LNHSZQHFUBVKFD-UHFFFAOYSA-N 0 0 469.541 4.721 40 0 JJABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(O[C@H](C)CC)c3)cc2s1 ZINC000021596059 555854264 /nfs/dbraw/zinc/85/42/64/555854264.db2.gz GXBSWXUCLCRWBO-CYBMUJFWSA-N 0 0 456.593 4.949 40 0 JJABRN COc1cc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC ZINC000021596710 555854606 /nfs/dbraw/zinc/85/46/06/555854606.db2.gz SOEZBKPSNFOCRP-UHFFFAOYSA-N 0 0 452.294 4.641 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(Nc4ccccc4)n3)CC2)cc1 ZINC000022052666 555866622 /nfs/dbraw/zinc/86/66/22/555866622.db2.gz QTMIRTJGAXTENJ-OAQYLSRUSA-N 0 0 487.629 4.749 40 0 JJABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000022109620 555876561 /nfs/dbraw/zinc/87/65/61/555876561.db2.gz PWQRSYULGOKZQD-UHFFFAOYSA-N 0 0 478.366 4.965 40 0 JJABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)cc(Br)c1OCC ZINC000022111135 555878681 /nfs/dbraw/zinc/87/86/81/555878681.db2.gz BQBWDXOQGGNNIC-UHFFFAOYSA-N 0 0 479.400 4.920 40 0 JJABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000022226988 555886251 /nfs/dbraw/zinc/88/62/51/555886251.db2.gz SBDFCSRUBOACCG-UHFFFAOYSA-N 0 0 455.407 4.577 40 0 JJABRN COc1cc([C@@H]2c3cc4c(cc3O[C@]3(N5CCCC5)CCC[C@@H]23)OCO4)cc(OC)c1OC ZINC000015231013 555889478 /nfs/dbraw/zinc/88/94/78/555889478.db2.gz PQIBCMUEYYLERP-GJECAEJISA-N 0 0 453.535 4.558 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231597 555890281 /nfs/dbraw/zinc/89/02/81/555890281.db2.gz VIBCNVJDEYYXED-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231918 555890838 /nfs/dbraw/zinc/89/08/38/555890838.db2.gz MWPLTCHEAMJKFD-LJQANCHMSA-N 0 0 487.021 4.871 40 0 JJABRN Cc1ccc(C)c(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232103 555891428 /nfs/dbraw/zinc/89/14/28/555891428.db2.gz FOYKVUFXMBOQGY-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000022232610 555891992 /nfs/dbraw/zinc/89/19/92/555891992.db2.gz COUBEPPKPVUCLM-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CCOC(=O)Cc1cnc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](C(C)(C)C)CC4)s1 ZINC000015277075 555892559 /nfs/dbraw/zinc/89/25/59/555892559.db2.gz JFTCFSQAYOVCTN-CYBMUJFWSA-N 0 0 472.636 4.844 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000022233185 555893026 /nfs/dbraw/zinc/89/30/26/555893026.db2.gz QVBXXYAIUBDUGQ-UHFFFAOYSA-N 0 0 486.977 4.526 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233551 555893578 /nfs/dbraw/zinc/89/35/78/555893578.db2.gz KXANRMWDHZCABP-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022233589 555893619 /nfs/dbraw/zinc/89/36/19/555893619.db2.gz BAAFOPVZEZXJNR-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CCn1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236987 555894381 /nfs/dbraw/zinc/89/43/81/555894381.db2.gz PVYLVDCIIJKLLE-UHFFFAOYSA-N 0 0 454.832 4.963 40 0 JJABRN CCOC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O)c1ccccc1 ZINC000015307429 555895620 /nfs/dbraw/zinc/89/56/20/555895620.db2.gz XWUWWVHTNHOSFH-NRFANRHFSA-N 0 0 497.425 4.967 40 0 JJABRN O[C@@H](CNc1ccc(Cc2ccc(NC[C@H](O)COc3ccccc3)cc2)cc1)COc1ccccc1 ZINC000015318930 555897329 /nfs/dbraw/zinc/89/73/29/555897329.db2.gz VZGZPACNSRLDLH-VMPREFPWSA-N 0 0 498.623 4.981 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000022247873 555898116 /nfs/dbraw/zinc/89/81/16/555898116.db2.gz QJYCSBVDONMJMX-MHECFPHRSA-N 0 0 487.021 4.506 40 0 JJABRN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000015320984 555898223 /nfs/dbraw/zinc/89/82/23/555898223.db2.gz ZCXUGULPWNUBLU-YVEFUNNKSA-N 0 0 467.743 4.667 40 0 JJABRN Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2)cc1 ZINC000015322013 555898739 /nfs/dbraw/zinc/89/87/39/555898739.db2.gz GQUYQCLUXGFBHV-DEOSSOPVSA-N 0 0 469.006 4.952 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1OC ZINC000015373174 555901294 /nfs/dbraw/zinc/90/12/94/555901294.db2.gz NKVZEMUJDOLPTB-UHFFFAOYSA-N 0 0 483.362 4.691 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Cl)cc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253421 555901845 /nfs/dbraw/zinc/90/18/45/555901845.db2.gz IYQXQQRORMISLB-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2SC)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253699 555902071 /nfs/dbraw/zinc/90/20/71/555902071.db2.gz XBPHEZBGAXFLDF-UHFFFAOYSA-N 0 0 486.615 4.644 40 0 JJABRN COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253703 555902093 /nfs/dbraw/zinc/90/20/93/555902093.db2.gz VBGQEYNTFGKAFC-UHFFFAOYSA-N 0 0 482.602 4.848 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)cc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253964 555902359 /nfs/dbraw/zinc/90/23/59/555902359.db2.gz YSFWTNRUBDZMEB-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C(C)C)n2)cc1OC ZINC000022256258 555904323 /nfs/dbraw/zinc/90/43/23/555904323.db2.gz PTOPXHSBIFKYKH-NRFANRHFSA-N 0 0 478.593 4.716 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000022259519 555906336 /nfs/dbraw/zinc/90/63/36/555906336.db2.gz GZOMVQBIDVJKHV-QFIPXVFZSA-N 0 0 464.587 4.613 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1C ZINC000022268365 555907275 /nfs/dbraw/zinc/90/72/75/555907275.db2.gz SSXZLPHVERVHKR-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000022268426 555907285 /nfs/dbraw/zinc/90/72/85/555907285.db2.gz MZVPELVNZPGEIQ-JOCHJYFZSA-N 0 0 490.984 4.715 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000022268337 555907321 /nfs/dbraw/zinc/90/73/21/555907321.db2.gz MDWCOFUUWJSLDU-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(SC)c2)cc1C ZINC000022268526 555907638 /nfs/dbraw/zinc/90/76/38/555907638.db2.gz XGCBNQQUGJKFTE-QHCPKHFHSA-N 0 0 484.643 4.644 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015418753 555908161 /nfs/dbraw/zinc/90/81/61/555908161.db2.gz CGRFDTJRGGTQTD-UHFFFAOYSA-N 0 0 462.493 4.898 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022271536 555909466 /nfs/dbraw/zinc/90/94/66/555909466.db2.gz OWSJENOBJPEALE-JOCHJYFZSA-N 0 0 492.519 4.632 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022271533 555909490 /nfs/dbraw/zinc/90/94/90/555909490.db2.gz OWSJENOBJPEALE-QFIPXVFZSA-N 0 0 492.519 4.632 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000022271493 555909497 /nfs/dbraw/zinc/90/94/97/555909497.db2.gz RRRJWROBFFXFNU-JOCHJYFZSA-N 0 0 493.412 4.920 40 0 JJABRN COc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274408 555911253 /nfs/dbraw/zinc/91/12/53/555911253.db2.gz ILDFJUKOSXGHPJ-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000022274500 555911270 /nfs/dbraw/zinc/91/12/70/555911270.db2.gz DLSKMCYYJOIYFM-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022275099 555911859 /nfs/dbraw/zinc/91/18/59/555911859.db2.gz DMQRWEGIZKEBID-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccccc2C)cc1 ZINC000022275174 555912184 /nfs/dbraw/zinc/91/21/84/555912184.db2.gz MPJBDDTZLASBSC-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN COc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022275773 555912789 /nfs/dbraw/zinc/91/27/89/555912789.db2.gz QNHIDSNTNCDCGC-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000022275803 555913097 /nfs/dbraw/zinc/91/30/97/555913097.db2.gz CIHFTNXKRWBQQD-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cccc(Br)c2)cc1 ZINC000022276255 555913411 /nfs/dbraw/zinc/91/34/11/555913411.db2.gz DAWDQZJXCQEUOV-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276526 555914054 /nfs/dbraw/zinc/91/40/54/555914054.db2.gz FCCSOUZRKQFSAS-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278030 555915687 /nfs/dbraw/zinc/91/56/87/555915687.db2.gz SPLGHJZUTLOJGW-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000022278331 555916218 /nfs/dbraw/zinc/91/62/18/555916218.db2.gz SCIXPOVOKOOURC-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015585062 555916844 /nfs/dbraw/zinc/91/68/44/555916844.db2.gz ISJPIZRFPZLTHM-SFHVURJKSA-N 0 0 454.523 4.657 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000022303095 555919128 /nfs/dbraw/zinc/91/91/28/555919128.db2.gz SDGDZFOYGVRPTA-XMMPIXPASA-N 0 0 466.603 4.720 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022306930 555919412 /nfs/dbraw/zinc/91/94/12/555919412.db2.gz BRZQIFYXLPVJMD-VWLOTQADSA-N 0 0 482.602 4.557 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2cccc(C)c2)cc1 ZINC000022316530 555921035 /nfs/dbraw/zinc/92/10/35/555921035.db2.gz ILBIRJDTEHQHMS-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022317025 555921053 /nfs/dbraw/zinc/92/10/53/555921053.db2.gz SEKADOKXLISVRY-RUZDIDTESA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000022344340 555923534 /nfs/dbraw/zinc/92/35/34/555923534.db2.gz XMJWQQHMKXZABP-DEOSSOPVSA-N 0 0 470.566 4.606 40 0 JJABRN CCc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022347160 555923879 /nfs/dbraw/zinc/92/38/79/555923879.db2.gz KZFLPANRPWNNFJ-RUZDIDTESA-N 0 0 466.603 4.720 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000022523072 555930847 /nfs/dbraw/zinc/93/08/47/555930847.db2.gz OUNRATWOFFNDBE-AREMUKBSSA-N 0 0 478.614 4.698 40 0 JJABRN COc1cc(CN(C(=O)c2ccc(C(C)(C)C)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000022534428 555932979 /nfs/dbraw/zinc/93/29/79/555932979.db2.gz NBTAGVUFLONRAM-UHFFFAOYSA-N 0 0 452.595 4.832 40 0 JJABRN CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015675874 555934838 /nfs/dbraw/zinc/93/48/38/555934838.db2.gz IMSMLBKYEWFYOB-FQEVSTJZSA-N 0 0 462.897 4.647 40 0 biogenic,in-vitro JJABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000022564029 555935246 /nfs/dbraw/zinc/93/52/46/555935246.db2.gz HIPZWFONWPEASV-UHFFFAOYSA-N 0 0 457.397 4.517 40 0 JJABRN Cc1ccc([C@@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000022572742 555937676 /nfs/dbraw/zinc/93/76/76/555937676.db2.gz RSVRMBGLCOBQMZ-HHHXNRCGSA-N 0 0 463.585 4.982 40 0 JJABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)c(C)c1 ZINC000022578765 555939290 /nfs/dbraw/zinc/93/92/90/555939290.db2.gz OHSPEDSGZIHLMK-UHFFFAOYSA-N 0 0 467.376 4.573 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000022706262 555943412 /nfs/dbraw/zinc/94/34/12/555943412.db2.gz PJFRVDDNJIVOSK-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(C)cc(C)c3)cc2Cl)CC1 ZINC000022708948 555945079 /nfs/dbraw/zinc/94/50/79/555945079.db2.gz OLLHCFOXDOJOND-UHFFFAOYSA-N 0 0 473.042 4.532 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000022713413 555946824 /nfs/dbraw/zinc/94/68/24/555946824.db2.gz RSUTUQLBYNQIRM-AWNIVKPZSA-N 0 0 477.314 4.910 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000022714279 555947190 /nfs/dbraw/zinc/94/71/90/555947190.db2.gz HTLLABBVLPOTNP-UHFFFAOYSA-N 0 0 478.393 4.717 40 0 JJABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1Cl ZINC000022716664 555947674 /nfs/dbraw/zinc/94/76/74/555947674.db2.gz VJJGCGIKIVKVRU-JXMROGBWSA-N 0 0 479.945 4.661 40 0 JJABRN O=S(=O)(NCCCCCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000012284759 555949029 /nfs/dbraw/zinc/94/90/29/555949029.db2.gz RMBWJVBQPHHLFZ-UHFFFAOYSA-N 0 0 496.654 4.810 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022741344 555949270 /nfs/dbraw/zinc/94/92/70/555949270.db2.gz VYBHIYWBWAYSOF-UHFFFAOYSA-N 0 0 483.977 4.642 40 0 JJABRN COc1cc(CN(C(=O)COc2c(C)cc(C)cc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022747065 555951483 /nfs/dbraw/zinc/95/14/83/555951483.db2.gz NENRIXMRRCJYHL-UHFFFAOYSA-N 0 0 489.012 4.570 40 0 JJABRN CN1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529814 555999694 /nfs/dbraw/zinc/99/96/94/555999694.db2.gz LQTZJZOQBIICRU-IRXDYDNUSA-N 0 0 465.863 4.976 40 0 biogenic,in-vitro JJABRN Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCN(CCO)CC2)c1C ZINC000023292212 556038328 /nfs/dbraw/zinc/03/83/28/556038328.db2.gz BRRMJPYTWNACOH-XMMPIXPASA-N 0 0 484.065 4.970 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2c1C ZINC000012566866 556065340 /nfs/dbraw/zinc/06/53/40/556065340.db2.gz IJDBJUJRNCXJMZ-NSYGIPOTSA-N 0 0 454.578 4.787 40 0 JJABRN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000015958441 556089853 /nfs/dbraw/zinc/08/98/53/556089853.db2.gz MGXWFQMOWOODPK-GGPAXRDESA-N 0 0 482.621 4.636 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)C2=C3C(O)N(c4ccccc4Cl)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016037709 556120306 /nfs/dbraw/zinc/12/03/06/556120306.db2.gz YOSAPJMDESCWDW-ZYQDXHPFSA-N 0 0 484.939 4.747 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000016321502 556135185 /nfs/dbraw/zinc/13/51/85/556135185.db2.gz ZAGSHWMQURJAAQ-UHFFFAOYSA-N 0 0 476.583 4.961 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000016363497 556136652 /nfs/dbraw/zinc/13/66/52/556136652.db2.gz LPTLJOJETIUFBY-UHFFFAOYSA-N 0 0 457.943 4.619 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1 ZINC000016406606 556138626 /nfs/dbraw/zinc/13/86/26/556138626.db2.gz OOSOEWFPCUUREE-UHFFFAOYSA-N 0 0 457.482 4.574 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024293 556214224 /nfs/dbraw/zinc/21/42/24/556214224.db2.gz VEDNEDGYXDTTOZ-VWLOTQADSA-N 0 0 473.552 4.650 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013024233 556214292 /nfs/dbraw/zinc/21/42/92/556214292.db2.gz ONEBIEDFMYXANT-VWLOTQADSA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024913 556215173 /nfs/dbraw/zinc/21/51/73/556215173.db2.gz BDZUQOYOVDIRCJ-AREMUKBSSA-N 0 0 469.589 4.819 40 0 JJABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013025512 556216124 /nfs/dbraw/zinc/21/61/24/556216124.db2.gz OGFMUOSGGLLSHU-SANMLTNESA-N 0 0 490.556 4.896 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025728 556216659 /nfs/dbraw/zinc/21/66/59/556216659.db2.gz DOIJTQGUHIOPLG-QHCPKHFHSA-N 0 0 464.493 4.652 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013025824 556216923 /nfs/dbraw/zinc/21/69/23/556216923.db2.gz VMQLMYHDLLCODQ-RUZDIDTESA-N 0 0 462.546 4.739 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)c1OC ZINC000013025944 556217208 /nfs/dbraw/zinc/21/72/08/556217208.db2.gz FKEONDPBRKZKDT-QFIPXVFZSA-N 0 0 468.575 4.801 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1 ZINC000013025878 556217223 /nfs/dbraw/zinc/21/72/23/556217223.db2.gz MHNVPMMXROKUSQ-RUZDIDTESA-N 0 0 460.530 4.938 40 0 JJABRN COc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)c1 ZINC000013026030 556217554 /nfs/dbraw/zinc/21/75/54/556217554.db2.gz KGIAOUIDWYCSDD-XMMPIXPASA-N 0 0 478.545 4.752 40 0 JJABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc(OC)c1OC ZINC000013026271 556217825 /nfs/dbraw/zinc/21/78/25/556217825.db2.gz UFUBDHFCZSXGAJ-XMMPIXPASA-N 0 0 478.545 4.752 40 0 JJABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc(OC)c1OC ZINC000013026172 556217873 /nfs/dbraw/zinc/21/78/73/556217873.db2.gz ZTYRFIWMOYKDOE-DEOSSOPVSA-N 0 0 496.535 4.891 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026555 556218999 /nfs/dbraw/zinc/21/89/99/556218999.db2.gz HWAIMIIGOZVZMH-XMMPIXPASA-N 0 0 476.529 4.522 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026557 556219009 /nfs/dbraw/zinc/21/90/09/556219009.db2.gz HWAIMIIGOZVZMH-DEOSSOPVSA-N 0 0 476.529 4.522 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013026990 556219808 /nfs/dbraw/zinc/21/98/08/556219808.db2.gz XQQWDRLNFSPTDO-DEOSSOPVSA-N 0 0 460.530 4.903 40 0 JJABRN COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1OC ZINC000013026937 556219812 /nfs/dbraw/zinc/21/98/12/556219812.db2.gz PCEKYRCMOZLDRI-SANMLTNESA-N 0 0 476.573 4.782 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1 ZINC000013027486 556220488 /nfs/dbraw/zinc/22/04/88/556220488.db2.gz IICCLZHJRGLWEV-UHFFFAOYSA-N 0 0 464.610 4.796 40 0 JJABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nc(C)c(C(=O)OCC)s2)n1 ZINC000013027938 556221330 /nfs/dbraw/zinc/22/13/30/556221330.db2.gz SAJKWPSDHZVIIE-UHFFFAOYSA-N 0 0 464.638 4.933 40 0 JJABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n21)CCCC3 ZINC000013028045 556221396 /nfs/dbraw/zinc/22/13/96/556221396.db2.gz OCYZLHSRIMTYKN-UHFFFAOYSA-N 0 0 470.649 4.592 40 0 JJABRN CCC(=O)Nc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)ccc1C ZINC000013028105 556221593 /nfs/dbraw/zinc/22/15/93/556221593.db2.gz ZBJTUDSREGBHAF-UHFFFAOYSA-N 0 0 494.646 4.914 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028936 556223316 /nfs/dbraw/zinc/22/33/16/556223316.db2.gz SRGLGTAISAXYIU-RUZDIDTESA-N 0 0 489.645 4.740 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000013028965 556223321 /nfs/dbraw/zinc/22/33/21/556223321.db2.gz SVPKJLROUZMZOY-SANMLTNESA-N 0 0 487.579 4.822 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 ZINC000013029008 556223363 /nfs/dbraw/zinc/22/33/63/556223363.db2.gz FJEDHPHCGJRYLL-HHHXNRCGSA-N 0 0 499.615 4.692 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013029472 556223911 /nfs/dbraw/zinc/22/39/11/556223911.db2.gz DBGFFOQKTSPISC-HHHXNRCGSA-N 0 0 485.563 4.712 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013029483 556223939 /nfs/dbraw/zinc/22/39/39/556223939.db2.gz UTMSTJPQJGTVPV-HHHXNRCGSA-N 0 0 485.563 4.712 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000013031459 556227966 /nfs/dbraw/zinc/22/79/66/556227966.db2.gz BMCUFJBFJXQTSP-SANMLTNESA-N 0 0 473.577 4.524 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013031674 556228908 /nfs/dbraw/zinc/22/89/08/556228908.db2.gz LQEJZQUXKOSZJH-XMMPIXPASA-N 0 0 479.581 4.569 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013032093 556230628 /nfs/dbraw/zinc/23/06/28/556230628.db2.gz IRVFVYDLFYOWPM-DEOSSOPVSA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013032382 556231218 /nfs/dbraw/zinc/23/12/18/556231218.db2.gz MJKUVCIEQLJMOA-AREMUKBSSA-N 0 0 485.588 4.525 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032672 556231772 /nfs/dbraw/zinc/23/17/72/556231772.db2.gz QBKWQDZUCLOLQY-DEOSSOPVSA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013032684 556231798 /nfs/dbraw/zinc/23/17/98/556231798.db2.gz GPZXAQBKKLMZNZ-XMMPIXPASA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013032642 556231844 /nfs/dbraw/zinc/23/18/44/556231844.db2.gz FANOOBIXQBEESZ-XMMPIXPASA-N 0 0 491.617 4.581 40 0 JJABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCc2ccccc21 ZINC000026109075 556241686 /nfs/dbraw/zinc/24/16/86/556241686.db2.gz WZEGPHPIVQRRQI-UHFFFAOYSA-N 0 0 467.418 4.515 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1C(=O)N1CCCCC1 ZINC000026116256 556246304 /nfs/dbraw/zinc/24/63/04/556246304.db2.gz QEYXOPWSVBBCGT-UHFFFAOYSA-N 0 0 478.705 4.555 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118751 556247953 /nfs/dbraw/zinc/24/79/53/556247953.db2.gz NDKBXEBKKGVDBA-UHFFFAOYSA-N 0 0 492.732 4.801 40 0 JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064269 556261844 /nfs/dbraw/zinc/26/18/44/556261844.db2.gz HHUIGLGWLWAENS-XMMPIXPASA-N 0 0 464.614 4.924 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000017949670 556272053 /nfs/dbraw/zinc/27/20/53/556272053.db2.gz XCAQZBSZLIKKDG-VABKMULXSA-N 0 0 476.916 4.568 40 0 JJABRN Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)C(C)C)cc1 ZINC000027117313 556274076 /nfs/dbraw/zinc/27/40/76/556274076.db2.gz OGCSWHCGPHRQEN-NRFANRHFSA-N 0 0 465.623 4.598 40 0 JJABRN Cc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013083202 556278983 /nfs/dbraw/zinc/27/89/83/556278983.db2.gz AHVRDBLDCZRIJH-UHFFFAOYSA-N 0 0 497.386 4.610 40 0 JJABRN Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)C2)cc1 ZINC000013083650 556280325 /nfs/dbraw/zinc/28/03/25/556280325.db2.gz GNEKCMMUKBDTGD-INIZCTEOSA-N 0 0 497.386 4.610 40 0 JJABRN O=C(CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12)NCc1cccs1 ZINC000013084182 556281693 /nfs/dbraw/zinc/28/16/93/556281693.db2.gz QCUUDPMPKWPNLP-UHFFFAOYSA-N 0 0 485.997 4.995 40 0 JJABRN Cc1ccc(NCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2Cc2ccco2)c(C)c1 ZINC000018066024 556282362 /nfs/dbraw/zinc/28/23/62/556282362.db2.gz HHBKVLNTCUGPOJ-UHFFFAOYSA-N 0 0 472.574 4.677 40 0 JJABRN COc1ccc(CNC(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 ZINC000013086073 556285495 /nfs/dbraw/zinc/28/54/95/556285495.db2.gz BJJIOOXSVYLTKJ-UHFFFAOYSA-N 0 0 461.591 4.742 40 0 JJABRN CC1=C(C(N)=O)[C@@H](c2cc(Br)ccc2OCc2ccc(C(C)(C)C)cc2)N2NN=NC2=N1 ZINC000027563802 556297469 /nfs/dbraw/zinc/29/74/69/556297469.db2.gz DQOTYGDQVMENMI-HXUWFJFHSA-N 0 0 497.397 4.683 40 0 JJABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018188355 556300483 /nfs/dbraw/zinc/30/04/83/556300483.db2.gz ZBBNWERRMZMRTL-FSSWDIPSSA-N 0 0 463.331 4.809 40 0 JJABRN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3n2)cc1 ZINC000027987235 556311010 /nfs/dbraw/zinc/31/10/10/556311010.db2.gz GHUHSEKSDJWPHY-UHFFFAOYSA-N 0 0 475.570 4.721 40 0 JJABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000028207049 556317986 /nfs/dbraw/zinc/31/79/86/556317986.db2.gz OEBRBGGAUYSEPE-NRFANRHFSA-N 0 0 474.626 4.921 40 0 JJABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1 ZINC000028208043 556318264 /nfs/dbraw/zinc/31/82/64/556318264.db2.gz HDAIPWQFMDYHAK-UHFFFAOYSA-N 0 0 477.007 4.759 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000028208783 556319155 /nfs/dbraw/zinc/31/91/55/556319155.db2.gz SOOJTVJEXUPGDZ-UHFFFAOYSA-N 0 0 492.597 4.576 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCC(C)C)cc3c2)cc1OC ZINC000028209001 556319782 /nfs/dbraw/zinc/31/97/82/556319782.db2.gz JSYQMFTUBPLPJI-UHFFFAOYSA-N 0 0 476.620 4.520 40 0 JJABRN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000018703209 556323494 /nfs/dbraw/zinc/32/34/94/556323494.db2.gz ZODLKPGMDFIHDR-UHFFFAOYSA-N 0 0 477.011 4.676 40 0 JJABRN CC(C)c1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366188 556345799 /nfs/dbraw/zinc/34/57/99/556345799.db2.gz COLOGUIDTBCFOM-VSGBNLITSA-N 0 0 464.650 4.890 40 0 JJABRN CC(C)c1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366191 556346090 /nfs/dbraw/zinc/34/60/90/556346090.db2.gz COLOGUIDTBCFOM-WUFINQPMSA-N 0 0 464.650 4.890 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000019500687 556349775 /nfs/dbraw/zinc/34/97/75/556349775.db2.gz YAYOXUFWNLNCBT-RUZDIDTESA-N 0 0 498.587 4.626 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N(CC)Cc3ccccc3)cc2c1 ZINC000019526623 556351574 /nfs/dbraw/zinc/35/15/74/556351574.db2.gz UXGFOVSQOPWHBO-HHHXNRCGSA-N 0 0 494.599 4.573 40 0 JJABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019569196 556355406 /nfs/dbraw/zinc/35/54/06/556355406.db2.gz SUQVVSPLFLTAJV-SANMLTNESA-N 0 0 468.605 4.784 40 0 JJABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000029768361 556357288 /nfs/dbraw/zinc/35/72/88/556357288.db2.gz KBYHUSUAJSFDTQ-OAHLLOKOSA-N 0 0 453.391 4.774 40 0 JJABRN O=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000019679041 556359410 /nfs/dbraw/zinc/35/94/10/556359410.db2.gz WOSJIIZKMRVBEB-UHFFFAOYSA-N 0 0 484.163 4.842 40 0 JJABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000030758888 556374157 /nfs/dbraw/zinc/37/41/57/556374157.db2.gz OBIIGRWSWNCEDM-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000030847581 556376255 /nfs/dbraw/zinc/37/62/55/556376255.db2.gz DKMBRYPSCOGLPM-QPPBQGQZSA-N 0 0 470.679 4.836 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3-n3ccnc3)c2)cc1 ZINC000030849130 556376735 /nfs/dbraw/zinc/37/67/35/556376735.db2.gz RZCSPOFTFWVLBG-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000030850432 556377269 /nfs/dbraw/zinc/37/72/69/556377269.db2.gz POOVZCXTJGRUCK-APWZRJJASA-N 0 0 469.434 4.721 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000030849999 556377337 /nfs/dbraw/zinc/37/73/37/556377337.db2.gz VZTKVHGGLARENL-UHFFFAOYSA-N 0 0 484.643 4.579 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000030850427 556377366 /nfs/dbraw/zinc/37/73/66/556377366.db2.gz POOVZCXTJGRUCK-QFBILLFUSA-N 0 0 469.434 4.721 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000030855256 556379780 /nfs/dbraw/zinc/37/97/80/556379780.db2.gz VOTPQELBCWAXMT-NRFANRHFSA-N 0 0 469.434 4.803 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030857396 556380538 /nfs/dbraw/zinc/38/05/38/556380538.db2.gz VJJPVTVBUZMJIN-SFHVURJKSA-N 0 0 469.434 4.502 40 0 JJABRN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030860134 556381587 /nfs/dbraw/zinc/38/15/87/556381587.db2.gz XMCJRYQVJQXFKH-VWLOTQADSA-N 0 0 492.641 4.879 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000030864261 556382851 /nfs/dbraw/zinc/38/28/51/556382851.db2.gz YHSDJRZYXNXIPR-HNNXBMFYSA-N 0 0 467.418 4.513 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(C)cc5)nc4nc3C2)c(OC)c1 ZINC000019816962 556383462 /nfs/dbraw/zinc/38/34/62/556383462.db2.gz YNFNEHMKSTXXPK-QGZVFWFLSA-N 0 0 460.559 4.655 40 0 JJABRN CN(c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030867437 556383849 /nfs/dbraw/zinc/38/38/49/556383849.db2.gz JVQYWLVCDFASBY-QHCPKHFHSA-N 0 0 454.979 4.973 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)ccc1Cl ZINC000030869016 556384113 /nfs/dbraw/zinc/38/41/13/556384113.db2.gz GECVCHODVKLBDB-UHFFFAOYSA-N 0 0 499.416 4.843 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000030870582 556385095 /nfs/dbraw/zinc/38/50/95/556385095.db2.gz SUEVDQKWUFTQSJ-UWJYYQICSA-N 0 0 469.434 4.803 40 0 JJABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000030872365 556385697 /nfs/dbraw/zinc/38/56/97/556385697.db2.gz TXCNLBKGTNDCJW-MUUNZHRXSA-N 0 0 485.609 4.882 40 0 JJABRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3ccc4c(c3)OCO4)C=C2C)cc1 ZINC000030882415 556386615 /nfs/dbraw/zinc/38/66/15/556386615.db2.gz MYYQVEGNDBPPRH-LSQMVHIFSA-N 0 0 492.616 4.715 40 0 biogenic,in-vitro JJABRN CCc1nn2c(nnc3c2ccn(-c2cccc(OC(F)(F)F)c2)c3=O)c1-c1ccccc1 ZINC000019818955 556387057 /nfs/dbraw/zinc/38/70/57/556387057.db2.gz ZIZDASAFVOQTRR-UHFFFAOYSA-N 0 0 451.408 4.556 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819402 556388079 /nfs/dbraw/zinc/38/80/79/556388079.db2.gz JYVPOPLDWZBRHY-RUZDIDTESA-N 0 0 479.540 4.685 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 ZINC000019820130 556388837 /nfs/dbraw/zinc/38/88/37/556388837.db2.gz ADRBFTZCYWKDRS-RPBOFIJWSA-N 0 0 453.542 4.914 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 ZINC000019820218 556389040 /nfs/dbraw/zinc/38/90/40/556389040.db2.gz TVIOSNXCTMBXEY-RPBOFIJWSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1sccc1C ZINC000019820834 556390765 /nfs/dbraw/zinc/39/07/65/556390765.db2.gz SKFLJTURANMUAG-VXKWHMMOSA-N 0 0 459.571 4.764 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000032101219 556416681 /nfs/dbraw/zinc/41/66/81/556416681.db2.gz BGLLGOZWRYBPTO-KRWDZBQOSA-N 0 0 467.658 4.913 40 0 JJABRN Cc1cc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)ccc1Cl ZINC000032101308 556416737 /nfs/dbraw/zinc/41/67/37/556416737.db2.gz MJNPMYOXFGNQNC-GOSISDBHSA-N 0 0 491.691 4.677 40 0 JJABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)nc1C ZINC000032111850 556420811 /nfs/dbraw/zinc/42/08/11/556420811.db2.gz HNJJOFGDMZCRIR-UHFFFAOYSA-N 0 0 478.393 4.671 40 0 JJABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(I)cc1 ZINC000032124790 556427865 /nfs/dbraw/zinc/42/78/65/556427865.db2.gz FHDDBVSPNBOXRN-UHFFFAOYSA-N 0 0 472.282 4.830 40 0 JJABRN NC(=O)c1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCCC2 ZINC000032125090 556428726 /nfs/dbraw/zinc/42/87/26/556428726.db2.gz OMSRNPSHEFRJTJ-UHFFFAOYSA-N 0 0 479.627 4.822 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000032125387 556429558 /nfs/dbraw/zinc/42/95/58/556429558.db2.gz QMSRLFGLSMHEKI-UHFFFAOYSA-N 0 0 457.574 4.823 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1-c1cc2ccccc2oc1=O ZINC000032127751 556432331 /nfs/dbraw/zinc/43/23/31/556432331.db2.gz VMNPGNBLQYIXBC-UHFFFAOYSA-N 0 0 458.495 4.624 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508707 556443522 /nfs/dbraw/zinc/44/35/22/556443522.db2.gz YQWNKSAOGPCCHD-QZTJIDSGSA-N 0 0 475.850 4.917 40 0 JJABRN O=C(CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21)Nc1ccc(Cl)cc1 ZINC000032597796 556449343 /nfs/dbraw/zinc/44/93/43/556449343.db2.gz GZAGMJIQRQHBND-ORAYPTAESA-N 0 0 458.992 4.838 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032639712 556459199 /nfs/dbraw/zinc/45/91/99/556459199.db2.gz FODVNFWUJJKZDB-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032639916 556459338 /nfs/dbraw/zinc/45/93/38/556459338.db2.gz NFZBVJHWGDCOFV-DOTOQJQBSA-N 0 0 478.920 4.773 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640510 556462864 /nfs/dbraw/zinc/46/28/64/556462864.db2.gz AAIUURPHUQFSHG-OALUTQOASA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1Cl)N2c1ccc(F)cc1F ZINC000032640528 556463057 /nfs/dbraw/zinc/46/30/57/556463057.db2.gz BSIYOSRZOLSQIP-WBVHZDCISA-N 0 0 463.358 4.547 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640527 556463098 /nfs/dbraw/zinc/46/30/98/556463098.db2.gz BSIYOSRZOLSQIP-NVXWUHKLSA-N 0 0 463.358 4.547 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1Cl)N2c1ccc(Cl)cc1 ZINC000032640520 556463109 /nfs/dbraw/zinc/46/31/09/556463109.db2.gz AHANNOGRVVRKFR-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032640567 556463402 /nfs/dbraw/zinc/46/34/02/556463402.db2.gz LYXCTUDMRBMBPQ-NVXWUHKLSA-N 0 0 460.930 4.634 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032640621 556463425 /nfs/dbraw/zinc/46/34/25/556463425.db2.gz QEUJWJADJIWFLR-FUHWJXTLSA-N 0 0 490.956 4.513 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCCOc3ccccc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032640623 556463463 /nfs/dbraw/zinc/46/34/63/556463463.db2.gz QEUJWJADJIWFLR-SJLPKXTDSA-N 0 0 490.956 4.513 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640828 556463998 /nfs/dbraw/zinc/46/39/98/556463998.db2.gz OUKRRKPJXBYWST-MJGOQNOKSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)c(Cl)c1)N2c1cccc(Cl)c1 ZINC000032640836 556464024 /nfs/dbraw/zinc/46/40/24/556464024.db2.gz GNRQUBMJRCHBLB-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccccc1CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032641014 556465169 /nfs/dbraw/zinc/46/51/69/556465169.db2.gz WGGXCBWBIDNRCW-WMZOPIPTSA-N 0 0 474.957 4.942 40 0 JJABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)cc(Cl)c2)cc1C ZINC000032641114 556465249 /nfs/dbraw/zinc/46/52/49/556465249.db2.gz GWNVDKMBIXFKMI-OALUTQOASA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccccc1CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032641015 556465253 /nfs/dbraw/zinc/46/52/53/556465253.db2.gz WGGXCBWBIDNRCW-SJLPKXTDSA-N 0 0 474.957 4.942 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898913 560049637 /nfs/dbraw/zinc/04/96/37/560049637.db2.gz XICZIOJXNYTWMM-SUJKLXQYSA-N 0 0 498.708 4.836 40 0 biogenic,in-vitro JJABRN CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)cc1 ZINC000067898720 560049711 /nfs/dbraw/zinc/04/97/11/560049711.db2.gz HCUZLZGQPUTGBS-NRFANRHFSA-N 0 0 460.456 4.507 40 0 biogenic,in-vitro JJABRN CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896795 560050247 /nfs/dbraw/zinc/05/02/47/560050247.db2.gz BWRGEIKMOFXDQK-NFBKMPQASA-N 0 0 478.511 4.541 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111870 560061014 /nfs/dbraw/zinc/06/10/14/560061014.db2.gz GRLOASMPELEEAW-UNMCSNQZSA-N 0 0 453.464 4.669 40 0 biogenic,in-vitro JJABRN C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C21)C[C@H](O)[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]13C ZINC000036413947 560086636 /nfs/dbraw/zinc/08/66/36/560086636.db2.gz YNKJSQIXVXWFBK-MCYVRMOZSA-N 0 0 488.709 4.811 40 0 biogenic,in-vitro JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582650 562939807 /nfs/dbraw/zinc/93/98/07/562939807.db2.gz DRRVAPPLSGUWQJ-SANMLTNESA-N 0 0 482.588 4.660 40 0 JJABRN O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c([nH]1)[nH]c(=S)[nH]c2=O)c1ccccc1 ZINC000008652847 562948522 /nfs/dbraw/zinc/94/85/22/562948522.db2.gz DLDRQYXWWLRNGZ-ZROIWOOFSA-N 0 0 458.330 4.582 40 0 JJABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000008686836 562953047 /nfs/dbraw/zinc/95/30/47/562953047.db2.gz BEBWLVSAAHDSLR-AREMUKBSSA-N 0 0 461.631 4.947 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)c1C ZINC000008687183 562953235 /nfs/dbraw/zinc/95/32/35/562953235.db2.gz NRWJNEYCQKJACG-XMMPIXPASA-N 0 0 475.618 4.799 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CCCSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 ZINC000054363728 569590361 /nfs/dbraw/zinc/59/03/61/569590361.db2.gz LVCPRBLQFANIGQ-UHFFFAOYSA-N 0 0 471.604 4.551 40 0 JJABRN Cc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000057291990 569595823 /nfs/dbraw/zinc/59/58/23/569595823.db2.gz OLOJANWZWJAHNX-HNNXBMFYSA-N 0 0 485.614 4.658 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000057312862 569596301 /nfs/dbraw/zinc/59/63/01/569596301.db2.gz OENXVXAXOXIONR-UHFFFAOYSA-N 0 0 488.426 4.550 40 0 JJABRN COc1c(F)c(F)c(C(=O)Nc2cc(C)c(I)c(C)c2)c(F)c1F ZINC000057313317 569596628 /nfs/dbraw/zinc/59/66/28/569596628.db2.gz LVSLECVYJOKPGB-UHFFFAOYSA-N 0 0 453.173 4.725 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)nn12 ZINC000057316228 569597557 /nfs/dbraw/zinc/59/75/57/569597557.db2.gz LDXKHBRMHPHSCY-UHFFFAOYSA-N 0 0 456.984 4.504 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000057316362 569597676 /nfs/dbraw/zinc/59/76/76/569597676.db2.gz MPYFWXSVONVBIV-UHFFFAOYSA-N 0 0 496.677 4.687 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1Cl ZINC000057316339 569597689 /nfs/dbraw/zinc/59/76/89/569597689.db2.gz RZRGIUSRNZTQOW-UHFFFAOYSA-N 0 0 487.010 4.594 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)c3)nn12 ZINC000057316394 569597790 /nfs/dbraw/zinc/59/77/90/569597790.db2.gz MZOXVIJXDYRMKY-UHFFFAOYSA-N 0 0 480.619 4.577 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(O[C@H](C)CC)c4)c3)nn12 ZINC000057316641 569597999 /nfs/dbraw/zinc/59/79/99/569597999.db2.gz IELLBISNVXGISU-CQSZACIVSA-N 0 0 480.619 4.719 40 0 JJABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 ZINC000057316639 569598020 /nfs/dbraw/zinc/59/80/20/569598020.db2.gz UUWSSZKMEXGWHK-IBGZPJMESA-N 0 0 496.677 4.685 40 0 JJABRN CC(C)COc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000057327910 569598774 /nfs/dbraw/zinc/59/87/74/569598774.db2.gz DRQRTORWHACNST-UHFFFAOYSA-N 0 0 460.559 4.729 40 0 JJABRN COCCn1cc(-c2csc(NC(=O)[C@H](C)Cn3nc(C)c(C)c3C)n2)c2ccccc21 ZINC000057775338 569601850 /nfs/dbraw/zinc/60/18/50/569601850.db2.gz NYIPNBKSHQOWCQ-OAHLLOKOSA-N 0 0 451.596 4.808 40 0 JJABRN Cc1cc(NC(=O)COc2ccc(Br)cc2)cc(C)c1I ZINC000059294182 569602457 /nfs/dbraw/zinc/60/24/57/569602457.db2.gz HIFSJJIPDKBCHK-UHFFFAOYSA-N 0 0 460.109 4.688 40 0 JJABRN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000059444088 569603897 /nfs/dbraw/zinc/60/38/97/569603897.db2.gz FZEBDQDOJTXHLG-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000059444228 569603999 /nfs/dbraw/zinc/60/39/99/569603999.db2.gz UWFRISMENRCULM-UHFFFAOYSA-N 0 0 472.994 4.529 40 0 JJABRN COc1ccc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1I ZINC000059459461 569604085 /nfs/dbraw/zinc/60/40/85/569604085.db2.gz PVJSMEJYVUROTI-OAHLLOKOSA-N 0 0 495.367 4.736 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000059472010 569604396 /nfs/dbraw/zinc/60/43/96/569604396.db2.gz QIDAHQALRJXNFC-UHFFFAOYSA-N 0 0 480.630 4.641 40 0 JJABRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)NC[C@H]1CCCO1 ZINC000059474866 569604631 /nfs/dbraw/zinc/60/46/31/569604631.db2.gz FXRSXMJILKBHGR-MRXNPFEDSA-N 0 0 461.996 4.589 40 0 JJABRN CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1cccc(C)c1 ZINC000059483888 569605109 /nfs/dbraw/zinc/60/51/09/569605109.db2.gz VXQQRGRGJVVIOY-UHFFFAOYSA-N 0 0 477.586 4.617 40 0 JJABRN C[C@@H](Sc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)C(=O)Nc1nccs1 ZINC000059488167 569605490 /nfs/dbraw/zinc/60/54/90/569605490.db2.gz RSXFTJJUSOGHNZ-LLVKDONJSA-N 0 0 466.569 4.673 40 0 JJABRN O=c1/c(=C\c2cc(Cl)ccc2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059513145 569606364 /nfs/dbraw/zinc/60/63/64/569606364.db2.gz MWMURRQKDFEABH-RQLGBQGVSA-N 0 0 477.010 4.739 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3F)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000032986120 569608781 /nfs/dbraw/zinc/60/87/81/569608781.db2.gz PVYKCZYACSSJOS-UHFFFAOYSA-N 0 0 479.581 4.558 40 0 JJABRN CCCn1c2nnc(SCc3ccc(F)cc3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000032986130 569608806 /nfs/dbraw/zinc/60/88/06/569608806.db2.gz CQSMPUAAWBKHCV-UHFFFAOYSA-N 0 0 479.581 4.558 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)c1 ZINC000033255024 569621912 /nfs/dbraw/zinc/62/19/12/569621912.db2.gz HODKXOUVVISFMS-UHFFFAOYSA-N 0 0 483.597 4.635 40 0 JJABRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1CC ZINC000033380272 569625381 /nfs/dbraw/zinc/62/53/81/569625381.db2.gz XRZDYFICIQCRQA-BUHFOSPRSA-N 0 0 496.036 4.740 40 0 JJABRN CCOc1c(Br)cc(C(=O)Nc2ccc(I)cc2)cc1OC ZINC000033458111 569626613 /nfs/dbraw/zinc/62/66/13/569626613.db2.gz HBVSWVIUCXETGC-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000033618161 569628904 /nfs/dbraw/zinc/62/89/04/569628904.db2.gz BFPXKMUHTSIPAV-UHFFFAOYSA-N 0 0 478.405 4.574 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000033624403 569629089 /nfs/dbraw/zinc/62/90/89/569629089.db2.gz FAHRVFKPTDIDBH-MRXNPFEDSA-N 0 0 472.014 4.790 40 0 JJABRN COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@@H]1c1ccccc1 ZINC000033643165 569629411 /nfs/dbraw/zinc/62/94/11/569629411.db2.gz HYTXLABDWMYDKW-DBXPASCUSA-N 0 0 490.584 4.715 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)o1 ZINC000033642359 569629443 /nfs/dbraw/zinc/62/94/43/569629443.db2.gz HIPRMSIWVSFYAP-IWIPYMOSSA-N 0 0 482.492 4.891 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033647263 569629529 /nfs/dbraw/zinc/62/95/29/569629529.db2.gz SKUGDVZEAMJSDF-QGZVFWFLSA-N 0 0 489.601 4.682 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033647266 569629577 /nfs/dbraw/zinc/62/95/77/569629577.db2.gz SKUGDVZEAMJSDF-KRWDZBQOSA-N 0 0 489.601 4.682 40 0 JJABRN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000033702214 569631041 /nfs/dbraw/zinc/63/10/41/569631041.db2.gz XIKAPTSQBYXPEY-CYBMUJFWSA-N 0 0 459.420 4.755 40 0 JJABRN C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000033714103 569631440 /nfs/dbraw/zinc/63/14/40/569631440.db2.gz JZDOUYRGSNLVNG-IBGZPJMESA-N 0 0 456.995 4.724 40 0 JJABRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1OC ZINC000033737045 569632904 /nfs/dbraw/zinc/63/29/04/569632904.db2.gz LMQIYHAMOCVPFF-UHFFFAOYSA-N 0 0 454.548 4.682 40 0 JJABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000033740219 569632999 /nfs/dbraw/zinc/63/29/99/569632999.db2.gz HORIYIJBFFQLST-UHFFFAOYSA-N 0 0 497.365 4.957 40 0 JJABRN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000033738812 569633017 /nfs/dbraw/zinc/63/30/17/569633017.db2.gz CKJSFRFGTQLVMJ-UHFFFAOYSA-N 0 0 479.389 4.518 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000033745857 569633439 /nfs/dbraw/zinc/63/34/39/569633439.db2.gz DFTJJGBXEITPJZ-DLBLZJNESA-N 0 0 488.996 4.605 40 0 JJABRN CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc(I)c1OCC ZINC000033778120 569634418 /nfs/dbraw/zinc/63/44/18/569634418.db2.gz XZMQRDCLQQGIJD-UHFFFAOYSA-N 0 0 488.705 4.782 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OC(C)C ZINC000033794133 569635377 /nfs/dbraw/zinc/63/53/77/569635377.db2.gz GFFNTCAUWIEKEM-PDGQHHTCSA-N 0 0 466.987 4.575 40 0 JJABRN CC[C@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)NCc2ccccc2)C(=O)OC1(C)C ZINC000033821689 569635653 /nfs/dbraw/zinc/63/56/53/569635653.db2.gz DGWKURPWJHZDER-XUVXKRRUSA-N 0 0 472.379 4.542 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937326 569638851 /nfs/dbraw/zinc/63/88/51/569638851.db2.gz DWJGXHGQFSHGNA-ILBGXUMGSA-N 0 0 478.641 4.707 40 0 JJABRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937345 569638935 /nfs/dbraw/zinc/63/89/35/569638935.db2.gz XLVKLMSNOOBSDK-AOYPEHQESA-N 0 0 486.620 4.546 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000034705247 569649487 /nfs/dbraw/zinc/64/94/87/569649487.db2.gz KADHQZKAWQYJQO-RISWYLRJSA-N 0 0 499.636 4.711 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000034704966 569649507 /nfs/dbraw/zinc/64/95/07/569649507.db2.gz YIJJKCXQRAQVGO-MRXNPFEDSA-N 0 0 477.565 4.812 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Br)ccc2Br)nnc1-c1ccco1 ZINC000034735738 569654125 /nfs/dbraw/zinc/65/41/25/569654125.db2.gz VZEJKZUQEURZFL-UHFFFAOYSA-N 0 0 486.189 4.814 40 0 JJABRN Cc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n1C ZINC000034794506 569660826 /nfs/dbraw/zinc/66/08/26/569660826.db2.gz ZTCOYFBCHZBVIX-FQEVSTJZSA-N 0 0 472.014 4.635 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)cc1Cl ZINC000034799395 569661074 /nfs/dbraw/zinc/66/10/74/569661074.db2.gz CWGHWLRSTMLPGT-ZDUSSCGKSA-N 0 0 478.405 4.652 40 0 JJABRN CCCCc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1 ZINC000034847205 569666984 /nfs/dbraw/zinc/66/69/84/569666984.db2.gz AUZMLXCLMIZWGF-HAHDFKILSA-N 0 0 475.545 4.909 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000035146907 569675749 /nfs/dbraw/zinc/67/57/49/569675749.db2.gz ZBIQUKHYXDZSTI-HZHRSRAPSA-N 0 0 480.586 4.631 40 0 JJABRN CCn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035167751 569677189 /nfs/dbraw/zinc/67/71/89/569677189.db2.gz VNYHCWWJOQRMEM-OAQYLSRUSA-N 0 0 459.546 4.796 40 0 JJABRN COc1c(I)cc(C(=O)NCc2ccccc2)cc1OCc1ccccc1 ZINC000035202531 569678274 /nfs/dbraw/zinc/67/82/74/569678274.db2.gz DRABDHRXFKZQPO-UHFFFAOYSA-N 0 0 473.310 4.809 40 0 JJABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000035213038 569678389 /nfs/dbraw/zinc/67/83/89/569678389.db2.gz WVJKTTVTWCSTPC-UHFFFAOYSA-N 0 0 479.813 4.907 40 0 JJABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c(C)c1 ZINC000035263797 569678976 /nfs/dbraw/zinc/67/89/76/569678976.db2.gz BTTSEGMVTVPALM-UHFFFAOYSA-N 0 0 493.972 4.649 40 0 JJABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)c1cccc(C)c1)CC2 ZINC000035311371 569680139 /nfs/dbraw/zinc/68/01/39/569680139.db2.gz BFRBCRHNVNISGJ-MHZLTWQESA-N 0 0 468.553 4.950 40 0 JJABRN CCN(CC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000035313547 569680314 /nfs/dbraw/zinc/68/03/14/569680314.db2.gz UCDSSACENPHUSD-VWLOTQADSA-N 0 0 463.578 4.571 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)o1 ZINC000035352225 569681792 /nfs/dbraw/zinc/68/17/92/569681792.db2.gz BEMCTVLXDRMGPG-XKZIYDEJSA-N 0 0 487.487 4.610 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)C2CCCCC2)cc1Cl ZINC000035352781 569681890 /nfs/dbraw/zinc/68/18/90/569681890.db2.gz NWOYHAIQGKXRRQ-QGZVFWFLSA-N 0 0 465.015 4.549 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1Cl ZINC000035419261 569692276 /nfs/dbraw/zinc/69/22/76/569692276.db2.gz WALKAKIEZHHQKV-UHFFFAOYSA-N 0 0 498.910 4.855 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000072111878 569699551 /nfs/dbraw/zinc/69/95/51/569699551.db2.gz JZNIDGWRZFLNAE-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000072332872 569703040 /nfs/dbraw/zinc/70/30/40/569703040.db2.gz QYGPFTLXAZGSEF-XOVAVQBPSA-N 0 0 492.741 4.827 40 0 biogenic JJABRN Cc1nc(-c2nc(C(=O)NCc3ccsc3)c3ccccn32)cn1Cc1ccc(F)cc1F ZINC000096155206 569736634 /nfs/dbraw/zinc/73/66/34/569736634.db2.gz VGIXBUFGNOKZRY-UHFFFAOYSA-N 0 0 463.513 4.824 40 0 JJABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCc4ccccc4)cc32)n1 ZINC000096156537 569736911 /nfs/dbraw/zinc/73/69/11/569736911.db2.gz VOETXMBXCRLRNG-XMMPIXPASA-N 0 0 465.557 4.581 40 0 JJABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCc4cccc(F)c4)cc32)n1 ZINC000096156539 569736934 /nfs/dbraw/zinc/73/69/34/569736934.db2.gz AHDVOTRUOCZPAJ-XMMPIXPASA-N 0 0 483.547 4.720 40 0 JJABRN CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000100226898 569755786 /nfs/dbraw/zinc/75/57/86/569755786.db2.gz DFXPWTHCOHVSOB-JOCHJYFZSA-N 0 0 475.511 4.703 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000036128062 569756873 /nfs/dbraw/zinc/75/68/73/569756873.db2.gz RQBQKLWOURFJLZ-RTBURBONSA-N 0 0 479.042 4.552 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)cc1 ZINC000100362092 569758105 /nfs/dbraw/zinc/75/81/05/569758105.db2.gz AXZJIIDBDIPJJY-UHFFFAOYSA-N 0 0 453.593 4.656 40 0 JJABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)N4CCc5ccccc5C4)nnc3c2c1C ZINC000100386469 569758446 /nfs/dbraw/zinc/75/84/46/569758446.db2.gz MQEVKPRKTYYBAU-UHFFFAOYSA-N 0 0 451.621 4.756 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 ZINC000100386379 569758451 /nfs/dbraw/zinc/75/84/51/569758451.db2.gz LGQHQKWMQFVESM-UHFFFAOYSA-N 0 0 469.592 4.597 40 0 JJABRN O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)NCc1cccs1 ZINC000100392718 569758666 /nfs/dbraw/zinc/75/86/66/569758666.db2.gz LIDOVLPMSKKKFA-UHFFFAOYSA-N 0 0 455.634 4.565 40 0 JJABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)NCCc4ccccc4)n21)CCCC3 ZINC000100392500 569758715 /nfs/dbraw/zinc/75/87/15/569758715.db2.gz MEOMXLHCKGVMSJ-UHFFFAOYSA-N 0 0 465.648 4.792 40 0 JJABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(SC)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000100577948 569765205 /nfs/dbraw/zinc/76/52/05/569765205.db2.gz NCVJUURNGMHNGL-SGNDLWITSA-N 0 0 460.555 4.858 40 0 JJABRN O=C(c1ccccc1S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)N1CCCCCC1 ZINC000100879452 569774080 /nfs/dbraw/zinc/77/40/80/569774080.db2.gz AQLVQLOSEBOCPI-FQEVSTJZSA-N 0 0 487.419 4.890 40 0 JJABRN O=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@@H](C(F)(F)F)C[C@H]1C1CC1 ZINC000036614404 569778233 /nfs/dbraw/zinc/77/82/33/569778233.db2.gz ASVHQHMXTWXYJD-RBUKOAKNSA-N 0 0 452.440 4.525 40 0 JJABRN COc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000036628516 569778973 /nfs/dbraw/zinc/77/89/73/569778973.db2.gz JBMLBFMQWOLSBX-UHFFFAOYSA-N 0 0 479.540 4.652 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101040534 569780442 /nfs/dbraw/zinc/78/04/42/569780442.db2.gz PIXHGMNZUYLXTO-QKDODKLFSA-N 0 0 480.520 4.908 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(OC)ccc4OC)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101063782 569780936 /nfs/dbraw/zinc/78/09/36/569780936.db2.gz JSTRPIUJDBQWBQ-ZNZIZOMTSA-N 0 0 488.540 4.544 40 0 JJABRN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c(C)c1 ZINC000037020855 569781164 /nfs/dbraw/zinc/78/11/64/569781164.db2.gz LMHYWDIVMOFQFT-UHFFFAOYSA-N 0 0 478.058 4.609 40 0 JJABRN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c1C ZINC000037020854 569781186 /nfs/dbraw/zinc/78/11/86/569781186.db2.gz XGCIBSBHHXDJHM-UHFFFAOYSA-N 0 0 478.058 4.609 40 0 JJABRN O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101101480 569782877 /nfs/dbraw/zinc/78/28/77/569782877.db2.gz OVQNCXQGSUJJPI-PVHODMMVSA-N 0 0 490.515 4.957 40 0 JJABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000101189408 569786557 /nfs/dbraw/zinc/78/65/57/569786557.db2.gz RNTAZUFACRHQAM-UHFFFAOYSA-N 0 0 453.593 4.834 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)cc1)c1ccccc1 ZINC000101224321 569787439 /nfs/dbraw/zinc/78/74/39/569787439.db2.gz FXKHDDKVSPYVSB-ZKMPZPQNSA-N 0 0 467.521 4.800 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000101249451 569788088 /nfs/dbraw/zinc/78/80/88/569788088.db2.gz GTHLNEAZSXTCLN-FKBYEOEOSA-N 0 0 452.869 4.539 40 0 JJABRN CCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O ZINC000101479448 569799060 /nfs/dbraw/zinc/79/90/60/569799060.db2.gz PHLVDRCAIMVQQZ-QPXUXIHVSA-N 0 0 477.992 4.663 40 0 JJABRN CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1O ZINC000038181788 569800220 /nfs/dbraw/zinc/80/02/20/569800220.db2.gz BMCBBQRLSSVXQW-PXNSSMCTSA-N 0 0 462.600 4.765 40 0 JJABRN O=C1C[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N2N=CNC2=N1 ZINC000038303489 569801263 /nfs/dbraw/zinc/80/12/63/569801263.db2.gz TZTGDYNUZJJUHW-OAHLLOKOSA-N 0 0 468.138 4.511 40 0 JJABRN CC(C)C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038755591 569807194 /nfs/dbraw/zinc/80/71/94/569807194.db2.gz WHPKGRYWHAAOSG-AREMUKBSSA-N 0 0 480.630 4.935 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 ZINC000038756806 569807429 /nfs/dbraw/zinc/80/74/29/569807429.db2.gz HFVLOSSDVXIOSM-UHFFFAOYSA-N 0 0 493.412 4.856 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000038772005 569807615 /nfs/dbraw/zinc/80/76/15/569807615.db2.gz YQYQZKOXJBDIRU-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3)c2C)c1-c1ccc(Br)cc1 ZINC000038829797 569808394 /nfs/dbraw/zinc/80/83/94/569808394.db2.gz DEJIPSWDRFYWAT-UHFFFAOYSA-N 0 0 451.324 4.866 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000038848977 569808884 /nfs/dbraw/zinc/80/88/84/569808884.db2.gz ZIXUCIBJHZDBJF-GOSISDBHSA-N 0 0 451.394 4.582 40 0 JJABRN O=C(NC1=NN(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)S1)Nc1ccccc1 ZINC000039379145 569809583 /nfs/dbraw/zinc/80/95/83/569809583.db2.gz YVDUENLVFNKJIF-HXUWFJFHSA-N 0 0 461.503 4.788 40 0 JJABRN O=C(NC1=NN(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)S1)Nc1ccccc1 ZINC000039379144 569809611 /nfs/dbraw/zinc/80/96/11/569809611.db2.gz YVDUENLVFNKJIF-FQEVSTJZSA-N 0 0 461.503 4.788 40 0 JJABRN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c3ccccc32)c1 ZINC000039556251 569810306 /nfs/dbraw/zinc/81/03/06/569810306.db2.gz SRGRKYIVZMJBSS-MFKUBSTISA-N 0 0 478.552 4.838 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000039556356 569810361 /nfs/dbraw/zinc/81/03/61/569810361.db2.gz YIUUYWJMBAPFGI-UZXDDYOISA-N 0 0 486.641 4.867 40 0 JJABRN CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985422 569813001 /nfs/dbraw/zinc/81/30/01/569813001.db2.gz KRKAUKWSKYJWLH-UHFFFAOYSA-N 0 0 455.285 4.662 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C ZINC000039986242 569813092 /nfs/dbraw/zinc/81/30/92/569813092.db2.gz HYAJJCKXRMVUSX-UHFFFAOYSA-N 0 0 478.920 4.715 40 0 JJABRN CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039985878 569813120 /nfs/dbraw/zinc/81/31/20/569813120.db2.gz AOOXHJQVLGQCPN-UHFFFAOYSA-N 0 0 458.583 4.756 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000039986699 569813276 /nfs/dbraw/zinc/81/32/76/569813276.db2.gz XGBPVCYXNKCNPZ-UHFFFAOYSA-N 0 0 456.589 4.544 40 0 JJABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(C)cc4)c(=O)n31)c1ccccc1CC2 ZINC000040033026 569814410 /nfs/dbraw/zinc/81/44/10/569814410.db2.gz XCDMPTRFTRNVPE-CMISJSSVSA-N 0 0 464.590 4.636 40 0 JJABRN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000102696596 569816043 /nfs/dbraw/zinc/81/60/43/569816043.db2.gz WHGIPLIXTQXHJO-KZNPRXHQSA-N 0 0 480.608 4.973 40 0 JJABRN O=C1[C@@H]2[C@H](c3cccc(Br)c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102717439 569817168 /nfs/dbraw/zinc/81/71/68/569817168.db2.gz DSKQGJXZLGUQBV-HKBOAZHASA-N 0 0 467.294 4.639 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102729552 569818008 /nfs/dbraw/zinc/81/80/08/569818008.db2.gz ICACOPHHXSRWJD-UODIDJSMSA-N 0 0 450.494 4.900 40 0 JJABRN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102762342 569822257 /nfs/dbraw/zinc/82/22/57/569822257.db2.gz GSABNNPPGFSLPR-DSNGMDLFSA-N 0 0 458.514 4.535 40 0 JJABRN COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102764611 569822620 /nfs/dbraw/zinc/82/26/20/569822620.db2.gz VMIFNVLNVMYNCT-GPHNJDIKSA-N 0 0 489.963 4.542 40 0 JJABRN CCN(C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1)c1ccccc1 ZINC000040253871 569823096 /nfs/dbraw/zinc/82/30/96/569823096.db2.gz VZYPTHVSBGCJGG-HXUWFJFHSA-N 0 0 468.557 4.619 40 0 JJABRN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102768036 569823181 /nfs/dbraw/zinc/82/31/81/569823181.db2.gz AEUJEVGHYFMSPF-FNAHDJPLSA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn21 ZINC000102768140 569823209 /nfs/dbraw/zinc/82/32/09/569823209.db2.gz RAZORPDCNBPKQT-FMWKFLBASA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn21 ZINC000102768143 569823278 /nfs/dbraw/zinc/82/32/78/569823278.db2.gz RAZORPDCNBPKQT-QIJZPMMNSA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102767634 569823295 /nfs/dbraw/zinc/82/32/95/569823295.db2.gz RFRWHEDZKXSNMV-XPWALMASSA-N 0 0 493.357 4.504 40 0 JJABRN COCc1nn2c(nnc3c2ccn(Cc2ccc(Cl)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396100 569825502 /nfs/dbraw/zinc/82/55/02/569825502.db2.gz 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COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000222671611 569888158 /nfs/dbraw/zinc/88/81/58/569888158.db2.gz RKVPTKDYWAZNEF-FQEVSTJZSA-N 0 0 496.629 4.778 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000222677413 569888273 /nfs/dbraw/zinc/88/82/73/569888273.db2.gz AXZIGFFOQLQZED-LSOGNMMWSA-N 0 0 464.587 4.674 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1C ZINC000222681607 569888416 /nfs/dbraw/zinc/88/84/16/569888416.db2.gz ODOKOWJIZSIMBN-LJQANCHMSA-N 0 0 480.586 4.675 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)c(C)c1 ZINC000222683411 569888495 /nfs/dbraw/zinc/88/84/95/569888495.db2.gz PNHSIPXFFFXYMD-LJQANCHMSA-N 0 0 480.586 4.675 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222691928 569888687 /nfs/dbraw/zinc/88/86/87/569888687.db2.gz XXFDGKXSLZVQBH-QHCPKHFHSA-N 0 0 483.381 4.517 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 ZINC000222693552 569888759 /nfs/dbraw/zinc/88/87/59/569888759.db2.gz TVJGULJLZUAGEN-QHCPKHFHSA-N 0 0 471.384 4.758 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000222694322 569888823 /nfs/dbraw/zinc/88/88/23/569888823.db2.gz DEVWKYJNJXQDRV-HSZRJFAPSA-N 0 0 455.385 4.922 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(Cl)c2)cc1 ZINC000222708866 569889214 /nfs/dbraw/zinc/88/92/14/569889214.db2.gz JJSWEFUZVXCELQ-INIZCTEOSA-N 0 0 486.977 4.711 40 0 JJABRN Cc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222712689 569889357 /nfs/dbraw/zinc/88/93/57/569889357.db2.gz INZUYQDIYNOVKB-AREMUKBSSA-N 0 0 476.592 4.925 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC)cc1OCC ZINC000222721927 569889515 /nfs/dbraw/zinc/88/95/15/569889515.db2.gz VHXSIWSIRVCNMW-INIZCTEOSA-N 0 0 481.420 4.887 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222749412 569890208 /nfs/dbraw/zinc/89/02/08/569890208.db2.gz INVYIDNHYFOXKW-MHZLTWQESA-N 0 0 476.592 4.925 40 0 JJABRN CCc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000222752107 569890275 /nfs/dbraw/zinc/89/02/75/569890275.db2.gz QDOIPMYZNHQHQY-UHFFFAOYSA-N 0 0 458.583 4.914 40 0 JJABRN COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000222752289 569890310 /nfs/dbraw/zinc/89/03/10/569890310.db2.gz LBQDHSHDPRCBKO-UAPYWLNTSA-N 0 0 460.530 4.786 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 ZINC000222761655 569890505 /nfs/dbraw/zinc/89/05/05/569890505.db2.gz RMQJUSPOUZMEBM-UHFFFAOYSA-N 0 0 460.555 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)cc1OC ZINC000222770217 569890635 /nfs/dbraw/zinc/89/06/35/569890635.db2.gz JGVNIJJELQOBBX-UHFFFAOYSA-N 0 0 490.581 4.612 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC)cc1OCC ZINC000222769138 569890642 /nfs/dbraw/zinc/89/06/42/569890642.db2.gz OTXPATVVNPLCRW-INIZCTEOSA-N 0 0 481.420 4.887 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222771326 569890689 /nfs/dbraw/zinc/89/06/89/569890689.db2.gz QBSBWCVFAIAEHL-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222782638 569890941 /nfs/dbraw/zinc/89/09/41/569890941.db2.gz HVKBWNMSUHIRDS-MHZLTWQESA-N 0 0 476.592 4.789 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222787750 569891042 /nfs/dbraw/zinc/89/10/42/569891042.db2.gz UBTOKACQLWMSPE-QFIPXVFZSA-N 0 0 497.419 4.721 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222788493 569891122 /nfs/dbraw/zinc/89/11/22/569891122.db2.gz HCAVXPFTWZBJDM-MHZLTWQESA-N 0 0 476.592 4.925 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000222791372 569891146 /nfs/dbraw/zinc/89/11/46/569891146.db2.gz AZNIIJFKWQHTTJ-SANMLTNESA-N 0 0 464.556 4.920 40 0 JJABRN C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222807367 569891656 /nfs/dbraw/zinc/89/16/56/569891656.db2.gz VSIHCXGHSPAFKV-CQSZACIVSA-N 0 0 451.375 4.618 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2cccc(C)c2)cc1 ZINC000222834110 569892209 /nfs/dbraw/zinc/89/22/09/569892209.db2.gz GVCHAYWZHSTSKT-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222840297 569892411 /nfs/dbraw/zinc/89/24/11/569892411.db2.gz NPPFLXRUKVXYKU-DEOSSOPVSA-N 0 0 484.637 4.757 40 0 JJABRN CCc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000222843353 569892498 /nfs/dbraw/zinc/89/24/98/569892498.db2.gz IMXRGFPWPKRDCD-UHFFFAOYSA-N 0 0 458.583 4.914 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222848863 569892639 /nfs/dbraw/zinc/89/26/39/569892639.db2.gz MUQLKVUQUNTOLZ-GOSISDBHSA-N 0 0 461.002 4.840 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000222870099 569893198 /nfs/dbraw/zinc/89/31/98/569893198.db2.gz VIWLKVZJEFRMPI-MHZLTWQESA-N 0 0 474.601 4.549 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222874092 569893257 /nfs/dbraw/zinc/89/32/57/569893257.db2.gz DDNWGYFVYSHZJS-HHHXNRCGSA-N 0 0 474.601 4.584 40 0 JJABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222879038 569893348 /nfs/dbraw/zinc/89/33/48/569893348.db2.gz KNYXZVAHEXTHAA-IBGZPJMESA-N 0 0 468.956 4.900 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222889813 569893685 /nfs/dbraw/zinc/89/36/85/569893685.db2.gz WJPZPEMSPPULQZ-DEOSSOPVSA-N 0 0 484.637 4.757 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222891010 569893725 /nfs/dbraw/zinc/89/37/25/569893725.db2.gz BAUHGKQEGLSFBL-AWEZNQCLSA-N 0 0 499.808 4.952 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000222895695 569893848 /nfs/dbraw/zinc/89/38/48/569893848.db2.gz UMQALGUPBGSDFC-LJQANCHMSA-N 0 0 472.601 4.888 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000222914122 569894220 /nfs/dbraw/zinc/89/42/20/569894220.db2.gz AQPBYPBHZHTAFR-NRFANRHFSA-N 0 0 462.615 4.947 40 0 JJABRN Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1S(=O)(=O)Nc1ccccc1 ZINC000222917207 569894306 /nfs/dbraw/zinc/89/43/06/569894306.db2.gz UOHSMLFLTMULPA-UHFFFAOYSA-N 0 0 462.622 4.648 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222922030 569894396 /nfs/dbraw/zinc/89/43/96/569894396.db2.gz PAUKIYSJZHZFQQ-AWEZNQCLSA-N 0 0 455.407 4.516 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1)c1ccc(OC)c(C)c1 ZINC000222921322 569894408 /nfs/dbraw/zinc/89/44/08/569894408.db2.gz DOUOIJBRHNBSMR-NVQXNPDNSA-N 0 0 494.613 4.536 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccccc2)cc1 ZINC000222920759 569894443 /nfs/dbraw/zinc/89/44/43/569894443.db2.gz MDKRFHVHQTUTEJ-OAQYLSRUSA-N 0 0 462.565 4.543 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1Cl ZINC000222923634 569894449 /nfs/dbraw/zinc/89/44/49/569894449.db2.gz WHMKDSNKSWMYCA-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222927253 569894646 /nfs/dbraw/zinc/89/46/46/569894646.db2.gz VKDQGLWCPLZNMJ-GOSISDBHSA-N 0 0 477.992 4.787 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000222930951 569894747 /nfs/dbraw/zinc/89/47/47/569894747.db2.gz RAURHCBLWYOQCW-LJQANCHMSA-N 0 0 466.578 4.777 40 0 JJABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222938101 569894903 /nfs/dbraw/zinc/89/49/03/569894903.db2.gz PXNDAZMOVYOJCY-DEOSSOPVSA-N 0 0 468.638 4.791 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222941687 569895049 /nfs/dbraw/zinc/89/50/49/569895049.db2.gz WFYRPRLOCYNWRC-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222953046 569895340 /nfs/dbraw/zinc/89/53/40/569895340.db2.gz KLYFFOXRANHQLQ-FQEVSTJZSA-N 0 0 461.400 4.505 40 0 JJABRN COc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1C ZINC000222961307 569895527 /nfs/dbraw/zinc/89/55/27/569895527.db2.gz HJRPQKHIYSVALW-UHFFFAOYSA-N 0 0 456.951 4.661 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222964678 569895602 /nfs/dbraw/zinc/89/56/02/569895602.db2.gz BZCGWIWBJJNZPW-KRWDZBQOSA-N 0 0 493.044 4.777 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222981652 569896041 /nfs/dbraw/zinc/89/60/41/569896041.db2.gz FQKZNAWKOFAOAD-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000222981542 569896051 /nfs/dbraw/zinc/89/60/51/569896051.db2.gz LPUAPDFUFXZNLO-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222986085 569896218 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JJABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223460333 569912052 /nfs/dbraw/zinc/91/20/52/569912052.db2.gz PJDUASXTDUAPEF-MHZLTWQESA-N 0 0 478.564 4.682 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccccc1 ZINC000223461953 569912132 /nfs/dbraw/zinc/91/21/32/569912132.db2.gz RBVJRTUOQCABGD-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223468343 569912322 /nfs/dbraw/zinc/91/23/22/569912322.db2.gz BBLMVPBRHAHYKS-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223468386 569912347 /nfs/dbraw/zinc/91/23/47/569912347.db2.gz BBLMVPBRHAHYKS-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223470051 569912381 /nfs/dbraw/zinc/91/23/81/569912381.db2.gz FZOLCIBIXKTGOG-DQEYMECFSA-N 0 0 454.603 4.506 40 0 JJABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471840 569912416 /nfs/dbraw/zinc/91/24/16/569912416.db2.gz FUQBNDDQAAKBLR-JWQCQUIFSA-N 0 0 455.587 4.839 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000223480868 569912809 /nfs/dbraw/zinc/91/28/09/569912809.db2.gz ALNRJDMTXPPXNY-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223483210 569912883 /nfs/dbraw/zinc/91/28/83/569912883.db2.gz HZYBXOLLLHBZSI-HRAATJIYSA-N 0 0 454.995 4.826 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223483045 569912885 /nfs/dbraw/zinc/91/28/85/569912885.db2.gz HBYFPQLAXPBRQC-SANMLTNESA-N 0 0 462.521 4.741 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223482987 569912895 /nfs/dbraw/zinc/91/28/95/569912895.db2.gz ZYJQQOABUPXJHP-AREMUKBSSA-N 0 0 462.565 4.598 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223482710 569912900 /nfs/dbraw/zinc/91/29/00/569912900.db2.gz LNVXBPSOITXSOH-AVRDEDQJSA-N 0 0 451.032 4.996 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223483638 569912943 /nfs/dbraw/zinc/91/29/43/569912943.db2.gz SWQVXBOHIISHIK-MHZLTWQESA-N 0 0 492.591 4.770 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1cccnc1 ZINC000223486429 569913045 /nfs/dbraw/zinc/91/30/45/569913045.db2.gz NCDRJNYXQUGNOH-RPBOFIJWSA-N 0 0 454.603 4.511 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223487332 569913088 /nfs/dbraw/zinc/91/30/88/569913088.db2.gz OEHKNNXFJDLMIH-AREMUKBSSA-N 0 0 476.592 4.906 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223489491 569913226 /nfs/dbraw/zinc/91/32/26/569913226.db2.gz UARIVYZMZQBPOH-RUZDIDTESA-N 0 0 482.596 4.974 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000223492879 569913306 /nfs/dbraw/zinc/91/33/06/569913306.db2.gz BYEFMXWKPOCEEF-KRWDZBQOSA-N 0 0 492.519 4.787 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223498422 569913650 /nfs/dbraw/zinc/91/36/50/569913650.db2.gz HEAFOCCEEWQJFY-DEOSSOPVSA-N 0 0 470.947 4.937 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1 ZINC000223500043 569913716 /nfs/dbraw/zinc/91/37/16/569913716.db2.gz VASWNVGSKFKTRR-XMMPIXPASA-N 0 0 479.418 4.768 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000223503397 569913865 /nfs/dbraw/zinc/91/38/65/569913865.db2.gz CBGQHHFKHLVNDG-UHFFFAOYSA-N 0 0 484.593 4.514 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223504900 569913906 /nfs/dbraw/zinc/91/39/06/569913906.db2.gz ZPSIYACOVQTLNG-MUUNZHRXSA-N 0 0 483.543 4.686 40 0 JJABRN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000223505341 569913912 /nfs/dbraw/zinc/91/39/12/569913912.db2.gz HIMKILVPWDFWEB-MHZLTWQESA-N 0 0 478.564 4.517 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccccc1 ZINC000223506046 569913923 /nfs/dbraw/zinc/91/39/23/569913923.db2.gz COTOQVCVEFUGQR-UHFFFAOYSA-N 0 0 467.031 4.875 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223511699 569914051 /nfs/dbraw/zinc/91/40/51/569914051.db2.gz RKRVDINNWAGTPD-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000223510829 569914081 /nfs/dbraw/zinc/91/40/81/569914081.db2.gz LOLIATRTDWYTDI-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000223514405 569914217 /nfs/dbraw/zinc/91/42/17/569914217.db2.gz JYIHNAVVUKLOKX-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223517067 569914255 /nfs/dbraw/zinc/91/42/55/569914255.db2.gz QRNRQEPUPCAABC-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)o1 ZINC000223520769 569914437 /nfs/dbraw/zinc/91/44/37/569914437.db2.gz UEVFSSNTYJBNIS-BJKOFHAPSA-N 0 0 470.554 4.696 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000223524392 569914476 /nfs/dbraw/zinc/91/44/76/569914476.db2.gz WOAAYOJIDUXLLK-UHFFFAOYSA-N 0 0 488.609 4.923 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)cc1 ZINC000223528411 569914627 /nfs/dbraw/zinc/91/46/27/569914627.db2.gz RIYRGKPFLVZNHS-UHFFFAOYSA-N 0 0 460.555 4.758 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223534987 569914928 /nfs/dbraw/zinc/91/49/28/569914928.db2.gz SAWOTQCEQYJHTR-UHFFFAOYSA-N 0 0 481.376 4.687 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1cccc2ccccc21 ZINC000223535623 569914976 /nfs/dbraw/zinc/91/49/76/569914976.db2.gz AVNCVPWTPYIVOO-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223542931 569915397 /nfs/dbraw/zinc/91/53/97/569915397.db2.gz YVNOAINVYBMZOX-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223546939 569915525 /nfs/dbraw/zinc/91/55/25/569915525.db2.gz YRDGPINPSAPKQP-LJQANCHMSA-N 0 0 475.427 4.512 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223549087 569915584 /nfs/dbraw/zinc/91/55/84/569915584.db2.gz OZCYUYXPEDCLLW-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2cc(C)ccc2C)cc1 ZINC000223550470 569915622 /nfs/dbraw/zinc/91/56/22/569915622.db2.gz ILTPJRXGCGLQFD-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000223550761 569915644 /nfs/dbraw/zinc/91/56/44/569915644.db2.gz UMYAXZKUZMLLPL-MHZLTWQESA-N 0 0 460.574 4.890 40 0 JJABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223552421 569915737 /nfs/dbraw/zinc/91/57/37/569915737.db2.gz TYJIPIOYFOHSBD-QFIPXVFZSA-N 0 0 485.628 4.956 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2cc(C)cc(C)c2)cc1 ZINC000223552790 569915751 /nfs/dbraw/zinc/91/57/51/569915751.db2.gz COKNHTFIAXUWAH-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2cc(C)cc(C)c2)cc1 ZINC000223553942 569915784 /nfs/dbraw/zinc/91/57/84/569915784.db2.gz KFTJHFCTAZHKSD-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2ccccc2OC)c2ccccc2)cc1 ZINC000223556994 569915892 /nfs/dbraw/zinc/91/58/92/569915892.db2.gz AGXJROLPMCRSFC-SANMLTNESA-N 0 0 460.574 4.746 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccc(C)c(C)c2)cc1 ZINC000223556269 569915896 /nfs/dbraw/zinc/91/58/96/569915896.db2.gz XTSFGEQHAYSVQD-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN COc1cccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223560735 569916071 /nfs/dbraw/zinc/91/60/71/569916071.db2.gz IZOFUYDQMDONCE-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223560686 569916088 /nfs/dbraw/zinc/91/60/88/569916088.db2.gz QVGLQDINJLLVBZ-GDLZYMKVSA-N 0 0 479.580 4.719 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCC(C)C)c2ccccc2)cc1 ZINC000223571153 569916439 /nfs/dbraw/zinc/91/64/39/569916439.db2.gz PVVZCOVPLQMMBA-HHHXNRCGSA-N 0 0 460.574 4.616 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223582278 569916816 /nfs/dbraw/zinc/91/68/16/569916816.db2.gz DCSRHKRLKVBHSR-UHFFFAOYSA-N 0 0 492.519 4.994 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223581249 569916827 /nfs/dbraw/zinc/91/68/27/569916827.db2.gz PQYRDBDWCHRYRA-SFHVURJKSA-N 0 0 475.427 4.813 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223582955 569916904 /nfs/dbraw/zinc/91/69/04/569916904.db2.gz KRKDRNJJCFIGCP-UHFFFAOYSA-N 0 0 476.639 4.539 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000223584292 569916937 /nfs/dbraw/zinc/91/69/37/569916937.db2.gz ZTBKKIPFZUZENO-UHFFFAOYSA-N 0 0 474.582 4.539 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000223584383 569916947 /nfs/dbraw/zinc/91/69/47/569916947.db2.gz UWIMICAKXLXPNT-UHFFFAOYSA-N 0 0 474.582 4.539 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223586321 569917033 /nfs/dbraw/zinc/91/70/33/569917033.db2.gz SFTKGMRFFUXFBT-QHCPKHFHSA-N 0 0 457.574 4.524 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000223588369 569917057 /nfs/dbraw/zinc/91/70/57/569917057.db2.gz UUZWPPMUEBSDHO-UHFFFAOYSA-N 0 0 495.403 4.995 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1 ZINC000223594261 569917210 /nfs/dbraw/zinc/91/72/10/569917210.db2.gz MQWLSBOOYXFJGQ-UHFFFAOYSA-N 0 0 498.620 4.822 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000223595045 569917228 /nfs/dbraw/zinc/91/72/28/569917228.db2.gz ACIPEQRBXXKJHR-FQEVSTJZSA-N 0 0 497.488 4.976 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2cc(Cl)ccc2C)cc1 ZINC000223602529 569917496 /nfs/dbraw/zinc/91/74/96/569917496.db2.gz DSSYSKVNTADECN-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc2ccccc2c1 ZINC000223607846 569917731 /nfs/dbraw/zinc/91/77/31/569917731.db2.gz UMUQGHQVCNLFER-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCSC2CCCC2)cc1 ZINC000223614311 569917911 /nfs/dbraw/zinc/91/79/11/569917911.db2.gz LJPRCEHJBNTMOZ-UHFFFAOYSA-N 0 0 467.056 4.712 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 ZINC000223616308 569917959 /nfs/dbraw/zinc/91/79/59/569917959.db2.gz GGKBVNRBDJYMKZ-NRFANRHFSA-N 0 0 491.426 4.559 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(=O)N1CCCCC1 ZINC000223618471 569918059 /nfs/dbraw/zinc/91/80/59/569918059.db2.gz HBGHXRLQMZZILZ-UHFFFAOYSA-N 0 0 484.643 4.545 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223632541 569918458 /nfs/dbraw/zinc/91/84/58/569918458.db2.gz BCSHBVRCIWJRTL-QHCPKHFHSA-N 0 0 472.651 4.659 40 0 JJABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223632886 569918460 /nfs/dbraw/zinc/91/84/60/569918460.db2.gz BNSZGTZTBNOWQJ-UXHICEINSA-N 0 0 476.371 4.598 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223633879 569918512 /nfs/dbraw/zinc/91/85/12/569918512.db2.gz PYUWWZQBDYBPBC-QHCPKHFHSA-N 0 0 475.010 4.541 40 0 JJABRN CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000223634849 569918555 /nfs/dbraw/zinc/91/85/55/569918555.db2.gz WKDKGRBIAWQYHU-HKWRFOASSA-N 0 0 452.532 4.574 40 0 JJABRN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000223635626 569918582 /nfs/dbraw/zinc/91/85/82/569918582.db2.gz UTKSGRWRTKRPIB-UHFFFAOYSA-N 0 0 454.379 4.961 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)c(C)c1 ZINC000223646352 569918768 /nfs/dbraw/zinc/91/87/68/569918768.db2.gz YLFBTBBUZYIZOA-UHFFFAOYSA-N 0 0 492.641 4.891 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 ZINC000223653114 569919032 /nfs/dbraw/zinc/91/90/32/569919032.db2.gz SLXZESBQRMQHHQ-JIPXPUAJSA-N 0 0 492.591 4.768 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223654750 569919122 /nfs/dbraw/zinc/91/91/22/569919122.db2.gz IMOOIBMZUQHKIW-NRFANRHFSA-N 0 0 481.058 4.686 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000223671388 569919581 /nfs/dbraw/zinc/91/95/81/569919581.db2.gz NSIZWNYJJSFIQS-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000223671285 569919584 /nfs/dbraw/zinc/91/95/84/569919584.db2.gz LPNAPWACQKGRGP-FGZHOGPDSA-N 0 0 455.967 4.839 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000223695765 569920291 /nfs/dbraw/zinc/92/02/91/569920291.db2.gz WWFMHJUWRGUPSE-UHFFFAOYSA-N 0 0 452.576 4.594 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3C(C)(C)C)c2)CC1 ZINC000223698037 569920313 /nfs/dbraw/zinc/92/03/13/569920313.db2.gz VSPSCSRLAHUTCG-UHFFFAOYSA-N 0 0 493.069 4.867 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000223705624 569920552 /nfs/dbraw/zinc/92/05/52/569920552.db2.gz XVMLZLSPKLAHIP-OAQYLSRUSA-N 0 0 475.427 4.593 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000223715229 569920872 /nfs/dbraw/zinc/92/08/72/569920872.db2.gz GPVJMHSLKKKUGT-UHFFFAOYSA-N 0 0 460.665 4.675 40 0 JJABRN C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223724162 569921183 /nfs/dbraw/zinc/92/11/83/569921183.db2.gz DZOGHAIJGCNWGX-HNNXBMFYSA-N 0 0 487.449 4.641 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223724962 569921242 /nfs/dbraw/zinc/92/12/42/569921242.db2.gz OOLYNQCBJBIQNY-OAQYLSRUSA-N 0 0 490.666 4.849 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000223729706 569921398 /nfs/dbraw/zinc/92/13/98/569921398.db2.gz LOXKTDPRXFAESK-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223732613 569921537 /nfs/dbraw/zinc/92/15/37/569921537.db2.gz IIGNOJKKEKGNNL-RUZDIDTESA-N 0 0 454.611 4.886 40 0 JJABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)o2)cc1 ZINC000223736839 569921599 /nfs/dbraw/zinc/92/15/99/569921599.db2.gz VBGZEVLYZFFHKN-DNQXCXABSA-N 0 0 465.575 4.666 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223739496 569921737 /nfs/dbraw/zinc/92/17/37/569921737.db2.gz WGOSMGNUXSTRBM-GOSISDBHSA-N 0 0 467.031 4.877 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)ccc1Br ZINC000223744176 569921859 /nfs/dbraw/zinc/92/18/59/569921859.db2.gz NHPRCPVBBFUUOR-GOSISDBHSA-N 0 0 473.411 4.612 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223750469 569922078 /nfs/dbraw/zinc/92/20/78/569922078.db2.gz LIEXQLCGYPOKII-UHFFFAOYSA-N 0 0 487.021 4.854 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223750927 569922150 /nfs/dbraw/zinc/92/21/50/569922150.db2.gz XXEUYLUTJYRBDI-IDISGSTGSA-N 0 0 476.592 4.932 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000223751120 569922152 /nfs/dbraw/zinc/92/21/52/569922152.db2.gz OYRCUWANEPZQKJ-UHFFFAOYSA-N 0 0 496.629 4.599 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CC)cc1Br ZINC000223757917 569922259 /nfs/dbraw/zinc/92/22/59/569922259.db2.gz JMPSQRQGMKRWHO-HNNXBMFYSA-N 0 0 481.818 4.597 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000223759133 569922356 /nfs/dbraw/zinc/92/23/56/569922356.db2.gz IUJLEWAXBUEYJO-UHFFFAOYSA-N 0 0 493.412 4.768 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000223760338 569922380 /nfs/dbraw/zinc/92/23/80/569922380.db2.gz CZEAAOBRUXZAKN-UHFFFAOYSA-N 0 0 487.021 4.677 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223762774 569922492 /nfs/dbraw/zinc/92/24/92/569922492.db2.gz XYQXWMALNVLQMJ-MUUNZHRXSA-N 0 0 488.628 4.939 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223766144 569922587 /nfs/dbraw/zinc/92/25/87/569922587.db2.gz UDPFKGOYHPGOPZ-SANMLTNESA-N 0 0 495.019 4.812 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2cccc(C)c2C)cc1 ZINC000223771668 569922737 /nfs/dbraw/zinc/92/27/37/569922737.db2.gz MWXMRXXPCBJPCZ-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000223775807 569922946 /nfs/dbraw/zinc/92/29/46/569922946.db2.gz RLAGRGUARMMNJP-RUZDIDTESA-N 0 0 480.992 4.504 40 0 JJABRN CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000223782406 569923122 /nfs/dbraw/zinc/92/31/22/569923122.db2.gz BAYTXBZAOPEFQK-OAQYLSRUSA-N 0 0 496.629 4.781 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223781779 569923152 /nfs/dbraw/zinc/92/31/52/569923152.db2.gz FJPVXIQEZDAJLY-RPBOFIJWSA-N 0 0 484.581 4.845 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223791265 569923421 /nfs/dbraw/zinc/92/34/21/569923421.db2.gz PJACSFYVWFCTCT-DQEYMECFSA-N 0 0 455.587 4.902 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223790674 569923422 /nfs/dbraw/zinc/92/34/22/569923422.db2.gz RSTRPJOQIHDSCO-JOCHJYFZSA-N 0 0 473.013 4.768 40 0 JJABRN Cc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223790375 569923452 /nfs/dbraw/zinc/92/34/52/569923452.db2.gz VULDZJQLNOMQDW-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805385 569923914 /nfs/dbraw/zinc/92/39/14/569923914.db2.gz FEDLVSYWQZUDSO-IBGZPJMESA-N 0 0 487.438 4.921 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223809670 569924073 /nfs/dbraw/zinc/92/40/73/569924073.db2.gz WUADSQBUQVRHME-QHCPKHFHSA-N 0 0 460.615 4.791 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223813669 569924127 /nfs/dbraw/zinc/92/41/27/569924127.db2.gz OGSFZEVKIGMFPG-QHCPKHFHSA-N 0 0 475.564 4.663 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223821377 569924274 /nfs/dbraw/zinc/92/42/74/569924274.db2.gz PWLLVEPNINBZAJ-MRXNPFEDSA-N 0 0 493.417 4.818 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223821405 569924288 /nfs/dbraw/zinc/92/42/88/569924288.db2.gz PWLLVEPNINBZAJ-INIZCTEOSA-N 0 0 493.417 4.818 40 0 JJABRN COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)CC(C)(C)O2 ZINC000223830757 569924551 /nfs/dbraw/zinc/92/45/51/569924551.db2.gz WHQLOXMFZMMEFH-UAPYWLNTSA-N 0 0 460.530 4.786 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223831448 569924639 /nfs/dbraw/zinc/92/46/39/569924639.db2.gz JDPFDEIXPORVHW-LOSJGSFVSA-N 0 0 455.587 4.902 40 0 JJABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(Br)ccc2OC)c2ccccc2O1 ZINC000223839226 569924794 /nfs/dbraw/zinc/92/47/94/569924794.db2.gz FANZWNRWKCKCMZ-MRXNPFEDSA-N 0 0 454.386 4.819 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1cccnc1 ZINC000223846770 569924978 /nfs/dbraw/zinc/92/49/78/569924978.db2.gz FXKTTZOMDZSPEY-RPBOFIJWSA-N 0 0 455.587 4.826 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1c(F)cccc1Cl ZINC000223846344 569924980 /nfs/dbraw/zinc/92/49/80/569924980.db2.gz YYZWVBKBVCCINW-OAHLLOKOSA-N 0 0 454.970 4.795 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Br)cc1 ZINC000223846268 569925001 /nfs/dbraw/zinc/92/50/01/569925001.db2.gz CHNURICNAXUQRR-INIZCTEOSA-N 0 0 481.431 4.765 40 0 JJABRN CC[C@@H](NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223852771 569925125 /nfs/dbraw/zinc/92/51/25/569925125.db2.gz DUSNZSKWMCJYLY-HXUWFJFHSA-N 0 0 467.031 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CCOc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223901190 569926653 /nfs/dbraw/zinc/92/66/53/569926653.db2.gz WJOBWUZUVRTXKU-UHFFFAOYSA-N 0 0 464.603 4.751 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223909864 569926983 /nfs/dbraw/zinc/92/69/83/569926983.db2.gz DKBDUYOYJAMQEX-JWQCQUIFSA-N 0 0 454.603 4.570 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223915854 569927116 /nfs/dbraw/zinc/92/71/16/569927116.db2.gz FOUIHMUZHAEIGP-HNNXBMFYSA-N 0 0 451.792 4.589 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)S(C)(=O)=O)cc1C ZINC000223916567 569927168 /nfs/dbraw/zinc/92/71/68/569927168.db2.gz LYSINYDZCRJLJE-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F ZINC000223917540 569927215 /nfs/dbraw/zinc/92/72/15/569927215.db2.gz IKGBGRAZGVCSDU-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223917592 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Cc1c(Cl)cccc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000409233512 570178835 /nfs/dbraw/zinc/17/88/35/570178835.db2.gz SPNCZOJQLMJYKY-UHFFFAOYSA-N 0 0 456.995 4.741 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000409234670 570179123 /nfs/dbraw/zinc/17/91/23/570179123.db2.gz OUZUWFCJVCKAMD-UHFFFAOYSA-N 0 0 452.576 4.525 40 0 JJABRN CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328961571 570179584 /nfs/dbraw/zinc/17/95/84/570179584.db2.gz BEAROBURDPRLAO-UHFFFAOYSA-N 0 0 471.252 4.963 40 0 JJABRN COc1ccccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328967257 570179816 /nfs/dbraw/zinc/17/98/16/570179816.db2.gz CSHQMWNMSOCEFR-IBGZPJMESA-N 0 0 462.472 5.223 40 0 JJABRN CCCN1C(=O)S/C(=C/c2cc(I)c(O[C@H](C)CC)c(OC)c2)C1=O ZINC000409237915 570180664 /nfs/dbraw/zinc/18/06/64/570180664.db2.gz JKIMFNLSZWGIRC-HGLKBHAMSA-N 0 0 475.348 4.923 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409238671 570180920 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570199635 /nfs/dbraw/zinc/19/96/35/570199635.db2.gz VDNGNCHSTFEDRZ-UHFFFAOYSA-N 0 0 480.920 4.769 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408559460 570199762 /nfs/dbraw/zinc/19/97/62/570199762.db2.gz MDQMUESMWOVEGO-UHFFFAOYSA-N 0 0 458.511 4.676 40 0 JJABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408560210 570200218 /nfs/dbraw/zinc/20/02/18/570200218.db2.gz DQRSFIUUQPIWHN-UHFFFAOYSA-N 0 0 460.559 4.559 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000408560963 570200668 /nfs/dbraw/zinc/20/06/68/570200668.db2.gz GDZZDEOJAKDTEO-UHFFFAOYSA-N 0 0 464.587 4.635 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408561169 570200814 /nfs/dbraw/zinc/20/08/14/570200814.db2.gz RBIOEJYOLWQBQR-UHFFFAOYSA-N 0 0 494.491 4.922 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccccc1 ZINC000409320106 570201015 /nfs/dbraw/zinc/20/10/15/570201015.db2.gz PAROBMDSHGYGOP-UHFFFAOYSA-N 0 0 456.589 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ZINC000409327803 570202574 /nfs/dbraw/zinc/20/25/74/570202574.db2.gz NFHOLWUVMACXPN-SRZZPIQSSA-N 0 0 470.547 4.511 40 0 JJABRN CCOc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3)cc3cc(Cl)ccc32)cc1 ZINC000408574726 570205449 /nfs/dbraw/zinc/20/54/49/570205449.db2.gz DDEGNOCTDFROFG-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000408574757 570205489 /nfs/dbraw/zinc/20/54/89/570205489.db2.gz DFKCUIMFGAVEDS-QFIPXVFZSA-N 0 0 485.584 4.624 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000408574847 570205517 /nfs/dbraw/zinc/20/55/17/570205517.db2.gz FANAQZUPLAMGAI-UHFFFAOYSA-N 0 0 462.527 4.910 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)CC1 ZINC000408575198 570205613 /nfs/dbraw/zinc/20/56/13/570205613.db2.gz SNDQLPVRSFUKPH-FYWRMAATSA-N 0 0 488.613 4.532 40 0 JJABRN COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Cl)ccc32)cc1 ZINC000408575719 570205752 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PUOCHNUIALPXQG-DEOSSOPVSA-N 0 0 499.611 4.805 40 0 JJABRN CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc21 ZINC000408580849 570206609 /nfs/dbraw/zinc/20/66/09/570206609.db2.gz RPHQZFOROMZIIB-NSHDSACASA-N 0 0 481.767 4.839 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)cc1 ZINC000408580765 570206620 /nfs/dbraw/zinc/20/66/20/570206620.db2.gz RHZKHWWEFBAFOO-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000408580527 570206622 /nfs/dbraw/zinc/20/66/22/570206622.db2.gz RELNNLDLERUHMF-IBGZPJMESA-N 0 0 491.975 4.660 40 0 JJABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408580828 570206669 /nfs/dbraw/zinc/20/66/69/570206669.db2.gz RODZCZCMTVGZDO-KRWDZBQOSA-N 0 0 499.464 4.766 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)Cc2ccccc2)cc1Cl ZINC000408582228 570206970 /nfs/dbraw/zinc/20/69/70/570206970.db2.gz BXEDWFWGIQFNRX-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408582557 570207037 /nfs/dbraw/zinc/20/70/37/570207037.db2.gz DESLOWPITJWYTL-UHFFFAOYSA-N 0 0 498.604 4.723 40 0 JJABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3cccc(C)c3)CC2=O)cc1 ZINC000408583078 570207173 /nfs/dbraw/zinc/20/71/73/570207173.db2.gz YQUBQOZDMNNRMC-JOCHJYFZSA-N 0 0 485.584 4.705 40 0 JJABRN CCc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2OC)cc1 ZINC000408583470 570207248 /nfs/dbraw/zinc/20/72/48/570207248.db2.gz ZWVQNLNHBYEQOU-UHFFFAOYSA-N 0 0 490.947 4.827 40 0 JJABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000408583524 570207284 /nfs/dbraw/zinc/20/72/84/570207284.db2.gz HWFDXUMTVJJUEK-UHFFFAOYSA-N 0 0 472.607 4.815 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1)N1CCCCCC1 ZINC000408583565 570207326 /nfs/dbraw/zinc/20/73/26/570207326.db2.gz IKSGJDOHRRWJET-UHFFFAOYSA-N 0 0 452.374 4.658 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 ZINC000408583738 570207348 /nfs/dbraw/zinc/20/73/48/570207348.db2.gz JLPOLHDSTMOXOM-NRFANRHFSA-N 0 0 466.603 4.621 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1C ZINC000408584261 570207496 /nfs/dbraw/zinc/20/74/96/570207496.db2.gz NOSSUSZVHGSTRT-OAQYLSRUSA-N 0 0 466.603 4.621 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3CC)CC2)cc1Cl ZINC000408584440 570207599 /nfs/dbraw/zinc/20/75/99/570207599.db2.gz PTNQGRCYWNQWJW-UHFFFAOYSA-N 0 0 465.015 4.649 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)c(C)c1 ZINC000408584623 570207632 /nfs/dbraw/zinc/20/76/32/570207632.db2.gz SCZKGTQVWQBTPE-RUZDIDTESA-N 0 0 476.642 4.918 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000408584620 570207651 /nfs/dbraw/zinc/20/76/51/570207651.db2.gz SCCKZXBDFFTWME-UHFFFAOYSA-N 0 0 496.585 4.770 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)Cc2ccccc2)cc1Cl ZINC000408584612 570207663 /nfs/dbraw/zinc/20/76/63/570207663.db2.gz RYSHQRNXSCPPJH-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)CCc2ccccc2)cc1)c1ccccc1 ZINC000408584779 570207721 /nfs/dbraw/zinc/20/77/21/570207721.db2.gz UZKKBUXRZCXCMZ-FCHUYYIVSA-N 0 0 464.631 4.796 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408584893 570207780 /nfs/dbraw/zinc/20/77/80/570207780.db2.gz WGDRKSDOJVPUSY-SFHVURJKSA-N 0 0 472.994 4.657 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408585886 570208005 /nfs/dbraw/zinc/20/80/05/570208005.db2.gz KLSKFLLPYJFQHC-UHFFFAOYSA-N 0 0 487.965 4.750 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1 ZINC000408586074 570208075 /nfs/dbraw/zinc/20/80/75/570208075.db2.gz ABOQINXKNKOEFM-UHFFFAOYSA-N 0 0 478.929 4.696 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(F)cc1 ZINC000408587142 570208282 /nfs/dbraw/zinc/20/82/82/570208282.db2.gz QZSBYDPSTBZXBD-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408587829 570208463 /nfs/dbraw/zinc/20/84/63/570208463.db2.gz CJKAYWSITJQNBG-UHFFFAOYSA-N 0 0 478.920 4.619 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000408588467 570208592 /nfs/dbraw/zinc/20/85/92/570208592.db2.gz GIVZEPBUYGGOLX-UHFFFAOYSA-N 0 0 472.950 4.669 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000408589830 570208874 /nfs/dbraw/zinc/20/88/74/570208874.db2.gz GBOPGCMOXOWLLR-UHFFFAOYSA-N 0 0 496.482 4.996 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408590677 570209048 /nfs/dbraw/zinc/20/90/48/570209048.db2.gz KIADZLCHWYMLQS-INIZCTEOSA-N 0 0 450.988 4.665 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000408591026 570209141 /nfs/dbraw/zinc/20/91/41/570209141.db2.gz IMAGQDNHFJPCHW-UHFFFAOYSA-N 0 0 484.540 4.620 40 0 JJABRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592311 570209424 /nfs/dbraw/zinc/20/94/24/570209424.db2.gz JXQYGUYOSJURQM-IIBYNOLFSA-N 0 0 477.413 4.760 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)ccc21 ZINC000408592247 570209471 /nfs/dbraw/zinc/20/94/71/570209471.db2.gz KUZVVHZRNFQKLK-UHFFFAOYSA-N 0 0 491.613 4.862 40 0 JJABRN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593125 570209668 /nfs/dbraw/zinc/20/96/68/570209668.db2.gz PCSYZNPICVURCL-INIZCTEOSA-N 0 0 450.988 4.665 40 0 JJABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593230 570209693 /nfs/dbraw/zinc/20/96/93/570209693.db2.gz PSWCZNNAMWVRAH-GOSISDBHSA-N 0 0 458.624 4.828 40 0 JJABRN C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)c4ccc(N(C)C)cc4)nc3[C@@H](C)[C@H]21 ZINC000015708939 291547100 /nfs/dbraw/zinc/54/71/00/291547100.db2.gz UZPXCXYPRHPJKV-RZOBLXOYSA-N 0 0 453.608 4.715 40 0 biogenic,in-vitro JJABRN C[C@H](CC[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253504198 291547107 /nfs/dbraw/zinc/54/71/07/291547107.db2.gz DDUGSCXKUOFBQJ-OUSHWNPHSA-N 0 0 450.704 4.915 40 0 biogenic,in-vitro JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)NCc3ccccc3)cc12 ZINC000000878711 193941115 /nfs/dbraw/zinc/94/11/15/193941115.db2.gz LRAGAAYJHLUNGJ-UHFFFAOYSA-N 0 0 485.609 4.951 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3Br)cc2c1 ZINC000000883326 193944726 /nfs/dbraw/zinc/94/47/26/193944726.db2.gz WXUFQYKTNRYHKO-UHFFFAOYSA-N 0 0 497.414 4.990 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](CC(C)C)C(=O)NC2CCCCC2)cc1 ZINC000000887419 193949381 /nfs/dbraw/zinc/94/93/81/193949381.db2.gz BLYWXLMVCCYROX-JOCHJYFZSA-N 0 0 494.665 4.607 40 0 JJABRN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000000890291 193950797 /nfs/dbraw/zinc/95/07/97/193950797.db2.gz ZAFWZTSCKCADGO-VWLOTQADSA-N 0 0 470.577 4.571 40 0 JJABRN Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000000908316 193961695 /nfs/dbraw/zinc/96/16/95/193961695.db2.gz WZGXOKUGFVLGOB-IBGZPJMESA-N 0 0 482.679 4.768 40 0 JJABRN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1cccc(O)c1 ZINC000000920128 193970793 /nfs/dbraw/zinc/97/07/93/193970793.db2.gz HOHYBCWZMPPTLG-UHFFFAOYSA-N 0 0 463.437 4.718 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000000923237 193974027 /nfs/dbraw/zinc/97/40/27/193974027.db2.gz BIWGAQVHFPJMRS-UHFFFAOYSA-N 0 0 476.598 4.587 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000000925301 193977115 /nfs/dbraw/zinc/97/71/15/193977115.db2.gz SFXMRNOLYQUIQB-UHFFFAOYSA-N 0 0 459.984 4.611 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000000926817 193978620 /nfs/dbraw/zinc/97/86/20/193978620.db2.gz QWFFZTWMBRYAQF-UHFFFAOYSA-N 0 0 482.563 4.521 40 0 JJABRN COc1ccccc1CN(Cc1nnnn1C1CCCCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 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ZINC000006135182 524058243 /nfs/dbraw/zinc/05/82/43/524058243.db2.gz RXLYMJTZGFPJHO-VWLOTQADSA-N 0 0 454.578 4.734 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498475 524058671 /nfs/dbraw/zinc/05/86/71/524058671.db2.gz VPHHWCQVROAVLS-RUZDIDTESA-N 0 0 486.576 4.711 40 0 JJABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000016310114 524157335 /nfs/dbraw/zinc/15/73/35/524157335.db2.gz SKAAUVDBKGBUCK-QHCPKHFHSA-N 0 0 497.613 4.560 40 0 JJABRN COc1ccc(Cc2nn(CC(=O)Nc3cccc(Br)c3)c(=S)n2-n2cccc2)cc1 ZINC000016807250 524166365 /nfs/dbraw/zinc/16/63/65/524166365.db2.gz GIHMQCMMLBIITO-UHFFFAOYSA-N 0 0 498.406 4.528 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000022429209 524214862 /nfs/dbraw/zinc/21/48/62/524214862.db2.gz DTENDVUKINMJQW-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000020487797 524215367 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524450154 /nfs/dbraw/zinc/45/01/54/524450154.db2.gz IHWRIURNBPEJNZ-UHFFFAOYSA-N 0 0 478.589 4.833 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2c2ccc(F)cc2)cc1 ZINC000020249234 524517621 /nfs/dbraw/zinc/51/76/21/524517621.db2.gz ZYCWPRSVGBFVGE-OAQYLSRUSA-N 0 0 467.497 4.509 40 0 JJABRN Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)CC2)c1C ZINC000022528064 524549786 /nfs/dbraw/zinc/54/97/86/524549786.db2.gz HDPPHUHMEOSFQR-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)CC2)c1C ZINC000044904382 524550689 /nfs/dbraw/zinc/55/06/89/524550689.db2.gz CMPTZVJXAXEOMH-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014578406 524624966 /nfs/dbraw/zinc/62/49/66/524624966.db2.gz QFDCYQIWMZMVLJ-UHFFFAOYSA-N 0 0 487.803 4.538 40 0 JJABRN COc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(OC)c1 ZINC000020491847 524627451 /nfs/dbraw/zinc/62/74/51/524627451.db2.gz SCIQTHJFNNUNDE-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(N[C@H]2Oc3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]2C)OCO4)cc1 ZINC000005741957 524711988 /nfs/dbraw/zinc/71/19/88/524711988.db2.gz XWPTTYCGUZLNFK-LRSUWRDESA-N 0 0 465.502 4.745 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012680 524718462 /nfs/dbraw/zinc/71/84/62/524718462.db2.gz YARDIKLXSXWRIW-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000020503114 524719782 /nfs/dbraw/zinc/71/97/82/524719782.db2.gz FHPQYEHLZPRICV-UHFFFAOYSA-N 0 0 471.605 4.706 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1F ZINC000013506444 524875917 /nfs/dbraw/zinc/87/59/17/524875917.db2.gz HWAKTXJLURQJMV-XMMPIXPASA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1F ZINC000013497764 524877151 /nfs/dbraw/zinc/87/71/51/524877151.db2.gz KMCGEBHSDVHHRY-DEOSSOPVSA-N 0 0 451.567 4.966 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020460492 524892509 /nfs/dbraw/zinc/89/25/09/524892509.db2.gz QPQQCTIHYIOKNH-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6ccccc6C)[C@H]45)[C@@H]3C2=O)cc1 ZINC000035494572 524928138 /nfs/dbraw/zinc/92/81/38/524928138.db2.gz VCYGCBBCDCTNDH-PUONGMCYSA-N 0 0 488.634 4.731 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000009478649 524928276 /nfs/dbraw/zinc/92/82/76/524928276.db2.gz BGTOLEVKKWBDTR-BDTNDASRSA-N 0 0 468.431 4.945 40 0 JJABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(F)cc1 ZINC000022537781 524938502 /nfs/dbraw/zinc/93/85/02/524938502.db2.gz PSCQTBCRODFEKD-IBGZPJMESA-N 0 0 466.578 4.777 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000022605949 524970288 /nfs/dbraw/zinc/97/02/88/524970288.db2.gz MAFNZIDMPWOKJH-KRWDZBQOSA-N 0 0 490.984 4.702 40 0 JJABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449519 524980188 /nfs/dbraw/zinc/98/01/88/524980188.db2.gz TYIMMKGXFKOVNW-AWEZNQCLSA-N 0 0 489.366 4.980 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccccc2)cc1Cl ZINC000022536222 525011118 /nfs/dbraw/zinc/01/11/18/525011118.db2.gz ULMFGRZTPOOOAA-QGZVFWFLSA-N 0 0 490.984 4.556 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013646010 525025906 /nfs/dbraw/zinc/02/59/06/525025906.db2.gz AYMMKLXVZSITBP-SFHVURJKSA-N 0 0 458.624 4.658 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000020112437 525026557 /nfs/dbraw/zinc/02/65/57/525026557.db2.gz CUBGEDFKDQDXJB-QHCPKHFHSA-N 0 0 458.624 4.777 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)cc1Cl ZINC000020016869 525030312 /nfs/dbraw/zinc/03/03/12/525030312.db2.gz MSMVVORWJHMLPM-GFCCVEGCSA-N 0 0 494.894 4.546 40 0 JJABRN Cc1cc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)ccc1Br ZINC000013675643 525031548 /nfs/dbraw/zinc/03/15/48/525031548.db2.gz UADOZXQUSLEHHU-INIZCTEOSA-N 0 0 481.456 4.698 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(C(C)(C)C)cc1 ZINC000030850534 525069805 /nfs/dbraw/zinc/06/98/05/525069805.db2.gz MHGSWLHPIUVVQG-GOSISDBHSA-N 0 0 460.615 4.542 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(OC)cc2)cc1 ZINC000013502345 525115661 /nfs/dbraw/zinc/11/56/61/525115661.db2.gz UYGJFMVRKPYSMD-SANMLTNESA-N 0 0 473.573 4.936 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2cccs2)no1 ZINC000006551945 525122270 /nfs/dbraw/zinc/12/22/70/525122270.db2.gz KNBSSVMGTJJRMN-XMMPIXPASA-N 0 0 480.590 4.597 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505711 525122577 /nfs/dbraw/zinc/12/25/77/525122577.db2.gz NWWIVDHDHJEZHE-AREMUKBSSA-N 0 0 492.551 4.674 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022430517 525133444 /nfs/dbraw/zinc/13/34/44/525133444.db2.gz QCNIJVOFEZHHDZ-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020047724 525133520 /nfs/dbraw/zinc/13/35/20/525133520.db2.gz NNYBOACMBKYZMS-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC ZINC000020023803 525133948 /nfs/dbraw/zinc/13/39/48/525133948.db2.gz IURVYCUNHLXMQL-UXHICEINSA-N 0 0 496.629 4.553 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430793 525134181 /nfs/dbraw/zinc/13/41/81/525134181.db2.gz JFOUFVHROZXALR-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000020491168 525144291 /nfs/dbraw/zinc/14/42/91/525144291.db2.gz BSQICKAECARQLC-MRXNPFEDSA-N 0 0 458.967 4.665 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000020491884 525156441 /nfs/dbraw/zinc/15/64/41/525156441.db2.gz IJEKIMNMIMWWGC-XMMPIXPASA-N 0 0 452.551 4.599 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000044901052 525173568 /nfs/dbraw/zinc/17/35/68/525173568.db2.gz OBZWPAVNDPZPGY-HXUWFJFHSA-N 0 0 473.422 4.672 40 0 JJABRN C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000013612817 525180429 /nfs/dbraw/zinc/18/04/29/525180429.db2.gz WAYWOUHGUHFNJK-UQBPGWFLSA-N 0 0 478.614 4.818 40 0 JJABRN Cc1ccc(NC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 ZINC000016292997 525196730 /nfs/dbraw/zinc/19/67/30/525196730.db2.gz ZZNJRURUUQFLNS-JOCHJYFZSA-N 0 0 469.582 4.924 40 0 JJABRN Cc1ccccc1OCC(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000041089914 525282051 /nfs/dbraw/zinc/28/20/51/525282051.db2.gz VHIKBHRAXVWMJR-UHFFFAOYSA-N 0 0 465.962 4.966 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022430431 525303190 /nfs/dbraw/zinc/30/31/90/525303190.db2.gz USGKZHRIALWGBY-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000020457496 525314273 /nfs/dbraw/zinc/31/42/73/525314273.db2.gz WITSGSUGTXVGJS-FQEVSTJZSA-N 0 0 466.603 4.769 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1OC ZINC000020453088 525314753 /nfs/dbraw/zinc/31/47/53/525314753.db2.gz BNBBQTGGIWLOMJ-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000022521662 525314872 /nfs/dbraw/zinc/31/48/72/525314872.db2.gz JWWNJYKTRVYGBX-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020448431 525336417 /nfs/dbraw/zinc/33/64/17/525336417.db2.gz YMAXCLUVVIUOKJ-DLBZAZTESA-N 0 0 454.979 4.971 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935887 525344707 /nfs/dbraw/zinc/34/47/07/525344707.db2.gz IPBJUJSPCJQZIE-DEOSSOPVSA-N 0 0 452.576 4.703 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000044883198 525348365 /nfs/dbraw/zinc/34/83/65/525348365.db2.gz IIYFTDLEKKIPEP-QFIPXVFZSA-N 0 0 465.015 4.650 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000022526268 525368137 /nfs/dbraw/zinc/36/81/37/525368137.db2.gz ZITYWIGTJHJOJV-SANMLTNESA-N 0 0 450.604 4.790 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030753595 525372902 /nfs/dbraw/zinc/37/29/02/525372902.db2.gz LDBNHEFOZKIGBN-IZLXSDGUSA-N 0 0 498.604 4.857 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022537347 525421120 /nfs/dbraw/zinc/42/11/20/525421120.db2.gz BUNWNTXVWSEEIL-INIZCTEOSA-N 0 0 476.957 4.845 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044899996 525426401 /nfs/dbraw/zinc/42/64/01/525426401.db2.gz QQPRRLAFWZHBMM-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000036092682 525428191 /nfs/dbraw/zinc/42/81/91/525428191.db2.gz PSHXGUNAJIZONC-WZONZLPQSA-N 0 0 456.995 4.709 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000044903717 525499030 /nfs/dbraw/zinc/49/90/30/525499030.db2.gz VXOLXAIYWVYGET-UHFFFAOYSA-N 0 0 452.576 4.537 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C)c(Cl)c2)cc1 ZINC000013613256 525504465 /nfs/dbraw/zinc/50/44/65/525504465.db2.gz YWPMTZARLVGSEN-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cc(C)ccc2C)cc1 ZINC000022430410 525505840 /nfs/dbraw/zinc/50/58/40/525505840.db2.gz WUHQYDCAIGCFKX-UHFFFAOYSA-N 0 0 480.630 4.911 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1 ZINC000022431783 525505845 /nfs/dbraw/zinc/50/58/45/525505845.db2.gz FQPWCPKBBSMDMU-UHFFFAOYSA-N 0 0 460.958 4.608 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1 ZINC000022535445 525506911 /nfs/dbraw/zinc/50/69/11/525506911.db2.gz GUVPKAJIRJOIII-HSZRJFAPSA-N 0 0 464.631 4.989 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc2F)cc1 ZINC000020012131 525508838 /nfs/dbraw/zinc/50/88/38/525508838.db2.gz WRPASNPDKIZWKZ-VWLOTQADSA-N 0 0 466.578 4.519 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccc(Cl)c2)cc1 ZINC000022430894 525509464 /nfs/dbraw/zinc/50/94/64/525509464.db2.gz WHPXDTDMQWOUGD-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000044844580 525526921 /nfs/dbraw/zinc/52/69/21/525526921.db2.gz UOWYHCMPGATIRE-AREMUKBSSA-N 0 0 462.615 4.997 40 0 JJABRN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCOCC1)(Sc1ccc(Cl)cc1)CO2 ZINC000016284148 525592592 /nfs/dbraw/zinc/59/25/92/525592592.db2.gz KDJOHQUONRDNSM-NRFANRHFSA-N 0 0 482.827 4.849 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)c4cccs4)o3)cc2)cc1 ZINC000006088925 525595254 /nfs/dbraw/zinc/59/52/54/525595254.db2.gz DXSDPUHWWJPADM-UHFFFAOYSA-N 0 0 471.585 4.882 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2)cc1 ZINC000013678087 525612141 /nfs/dbraw/zinc/61/21/41/525612141.db2.gz GGGLJXKLFYWCDO-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)c(=O)[nH]c2c1 ZINC000013499229 525628738 /nfs/dbraw/zinc/62/87/38/525628738.db2.gz KPPFLQQPBUJQAT-UHFFFAOYSA-N 0 0 462.571 4.545 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2nccs2)C2CCCC2)cc1 ZINC000013501694 525676251 /nfs/dbraw/zinc/67/62/51/525676251.db2.gz XMOYVFOERYJICA-DEOSSOPVSA-N 0 0 482.650 4.742 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2C)o1 ZINC000013506020 525676353 /nfs/dbraw/zinc/67/63/53/525676353.db2.gz MQDXMWHWGOJXSF-VWLOTQADSA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000012478400 525678151 /nfs/dbraw/zinc/67/81/51/525678151.db2.gz KNFJNZWCRKDIIL-SANMLTNESA-N 0 0 498.587 4.709 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020494166 525693080 /nfs/dbraw/zinc/69/30/80/525693080.db2.gz YDAQERHNJBUREV-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020495490 525711082 /nfs/dbraw/zinc/71/10/82/525711082.db2.gz JESVAZRUPPSCEO-SJLPKXTDSA-N 0 0 469.434 4.721 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(C)c1 ZINC000044901968 525713256 /nfs/dbraw/zinc/71/32/56/525713256.db2.gz QFWORQXOJKAFQL-HOYKHHGWSA-N 0 0 485.005 4.791 40 0 JJABRN COc1cccc(-c2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=S)n2-n2cccc2)c1 ZINC000016778137 525732375 /nfs/dbraw/zinc/73/23/75/525732375.db2.gz WXCDJPBREWYUHR-UHFFFAOYSA-N 0 0 473.480 4.860 40 0 JJABRN Cc1c(Cl)cccc1N(Cc1ccc(C(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000014186231 525759098 /nfs/dbraw/zinc/75/90/98/525759098.db2.gz KJICKINEVAQJLU-UHFFFAOYSA-N 0 0 485.005 4.516 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044905105 525769997 /nfs/dbraw/zinc/76/99/97/525769997.db2.gz RYVKSFJQPYRTDX-OFVILXPXSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c2ccccc2)cc1 ZINC000044841956 525770582 /nfs/dbraw/zinc/77/05/82/525770582.db2.gz MUDOHUOHLIBQGV-NSOVKSMOSA-N 0 0 490.669 4.875 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496470 525785627 /nfs/dbraw/zinc/78/56/27/525785627.db2.gz ZPHXXJKBDJCCDO-SANMLTNESA-N 0 0 495.656 4.746 40 0 JJABRN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1 ZINC000009489970 525852358 /nfs/dbraw/zinc/85/23/58/525852358.db2.gz CVUFURIXCAINAK-GQNMWPQZSA-N 0 0 488.466 4.886 40 0 JJABRN Cc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc23)cc1 ZINC000021867256 525867059 /nfs/dbraw/zinc/86/70/59/525867059.db2.gz OVEJPFATGMMHKL-UHFFFAOYSA-N 0 0 492.583 4.538 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501913 525873662 /nfs/dbraw/zinc/87/36/62/525873662.db2.gz IPSBUYRKFGDZMH-XMMPIXPASA-N 0 0 496.633 4.696 40 0 JJABRN COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020456020 525890067 /nfs/dbraw/zinc/89/00/67/525890067.db2.gz UOXRRKMKWREAOB-UHFFFAOYSA-N 0 0 458.967 4.512 40 0 JJABRN C[C@@]12CO[C@@H](Cc3ccccc3)O[C@@H]1CC[C@@]1(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@H]21 ZINC000004236906 525915606 /nfs/dbraw/zinc/91/56/06/525915606.db2.gz SHODNLNRPSDUDF-CQQYJGINSA-N 0 0 455.639 4.567 40 0 biogenic,in-vitro JJABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582542 525918989 /nfs/dbraw/zinc/91/89/89/525918989.db2.gz BVHDPJGHKVGHIC-GFCCVEGCSA-N 0 0 450.383 4.999 40 0 JJABRN COc1cccc(CN(CC(=O)NC(C)(C)C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 ZINC000013502627 525922313 /nfs/dbraw/zinc/92/23/13/525922313.db2.gz TZRLGOOFKSFTDS-UHFFFAOYSA-N 0 0 490.629 4.961 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c2ccccc2)cc1 ZINC000044841941 525966604 /nfs/dbraw/zinc/96/66/04/525966604.db2.gz MUDOHUOHLIBQGV-VSGBNLITSA-N 0 0 490.669 4.875 40 0 JJABRN C[C@H](Sc1nnc2n1c1ccccc1c(=O)n2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000016323537 526016248 /nfs/dbraw/zinc/01/62/48/526016248.db2.gz OWVVUPMWEJRYGU-INIZCTEOSA-N 0 0 487.610 4.852 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000013670204 526051548 /nfs/dbraw/zinc/05/15/48/526051548.db2.gz DHJPAQPRNMYDNC-UHFFFAOYSA-N 0 0 452.601 4.827 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000020019205 526055394 /nfs/dbraw/zinc/05/53/94/526055394.db2.gz PQXMMCQEFFODFE-MOPGFXCFSA-N 0 0 484.643 4.704 40 0 JJABRN Cc1cnc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)s1 ZINC000004092210 526078867 /nfs/dbraw/zinc/07/88/67/526078867.db2.gz CZNQXFFTMCVACN-UHFFFAOYSA-N 0 0 468.608 4.644 40 0 JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466539 526080038 /nfs/dbraw/zinc/08/00/38/526080038.db2.gz NZUDUWJOUHWQIO-NGJRIMDPSA-N 0 0 486.672 4.966 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1cccs1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466424 526090191 /nfs/dbraw/zinc/09/01/91/526090191.db2.gz HREKPXZPAOUPEY-WRDAWAIASA-N 0 0 462.700 4.745 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000022534987 526095682 /nfs/dbraw/zinc/09/56/82/526095682.db2.gz SGEAVFKVNXGUBX-ZWKOTPCHSA-N 0 0 456.539 4.650 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500367 526095668 /nfs/dbraw/zinc/09/56/68/526095668.db2.gz KYGOAABEWMLQFR-MHZLTWQESA-N 0 0 493.615 4.666 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)CC2)cc1 ZINC000022564415 526115216 /nfs/dbraw/zinc/11/52/16/526115216.db2.gz ULIHJWCKEKHRMK-UHFFFAOYSA-N 0 0 457.574 4.997 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2I)c(C)c1 ZINC000022747110 526143854 /nfs/dbraw/zinc/14/38/54/526143854.db2.gz GOHHJQJFKPHHNL-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN Cc1cc(=O)oc2cc(OC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)ccc12 ZINC000002132741 526149223 /nfs/dbraw/zinc/14/92/23/526149223.db2.gz BLYQHRIXXRXQAQ-OAQYLSRUSA-N 0 0 462.502 4.624 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000016228114 526218287 /nfs/dbraw/zinc/21/82/87/526218287.db2.gz PLWHFMZQXQTRPQ-UHFFFAOYSA-N 0 0 485.993 4.633 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000044846849 526237836 /nfs/dbraw/zinc/23/78/36/526237836.db2.gz BHKFSQNQYQUIFI-HNNXBMFYSA-N 0 0 460.939 4.555 40 0 JJABRN O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019867515 526372264 /nfs/dbraw/zinc/37/22/64/526372264.db2.gz YOUYVOPSKZZWKH-UHFFFAOYSA-N 0 0 493.503 4.505 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000032127029 526424018 /nfs/dbraw/zinc/42/40/18/526424018.db2.gz GYOBPMPSLZANRD-UHFFFAOYSA-N 0 0 477.402 4.903 40 0 JJABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000016477208 526432788 /nfs/dbraw/zinc/43/27/88/526432788.db2.gz OKJSPCADIGTKSD-RMTZWNOUSA-N 0 0 465.505 4.923 40 0 JJABRN Cc1nc(C)c(C(=O)N(c2cccc(C)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)s1 ZINC000012484562 526691179 /nfs/dbraw/zinc/69/11/79/526691179.db2.gz LKDHVBNCRLLNKL-PKTZIBPZSA-N 0 0 463.603 4.752 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000026770577 526796515 /nfs/dbraw/zinc/79/65/15/526796515.db2.gz IOACSLMWJMVTPK-LQWHRVPQSA-N 0 0 464.827 4.704 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506118 526870500 /nfs/dbraw/zinc/87/05/00/526870500.db2.gz RRPGQUQPYMOCNP-QFIPXVFZSA-N 0 0 485.606 4.512 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506263 526870544 /nfs/dbraw/zinc/87/05/44/526870544.db2.gz IYDALNMZORRCRO-HSZRJFAPSA-N 0 0 499.633 4.507 40 0 JJABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@@H](C)CC5)sc1C ZINC000013499730 526978159 /nfs/dbraw/zinc/97/81/59/526978159.db2.gz REGZXHSAAVTOHY-VIFPVBQESA-N 0 0 458.638 4.576 40 0 JJABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc(-c2ccccc2)cc1 ZINC000013572324 527009411 /nfs/dbraw/zinc/00/94/11/527009411.db2.gz UZCYMAUGEZGSCH-PGRDOPGGSA-N 0 0 460.624 4.835 40 0 JJABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014828534 527022744 /nfs/dbraw/zinc/02/27/44/527022744.db2.gz LUWIJCMKRHXRGN-UHFFFAOYSA-N 0 0 459.420 4.650 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000022517645 527039907 /nfs/dbraw/zinc/03/99/07/527039907.db2.gz MHSXMAGRTFTUDY-QFIPXVFZSA-N 0 0 481.445 4.729 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000036067522 527040482 /nfs/dbraw/zinc/04/04/82/527040482.db2.gz HGSRPBFFJYSIMN-VGSWGCGISA-N 0 0 481.445 4.729 40 0 JJABRN O=C1c2ccc(Oc3cccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)c3)cc2C(=O)N1c1ccccc1 ZINC000004099619 527124759 /nfs/dbraw/zinc/12/47/59/527124759.db2.gz DCBWLAXOGXAEBO-QSMOKTBHSA-N 0 0 476.488 4.591 40 0 JJABRN O=C(Nc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2c3CCCC2)cc1)c1cccc(Cl)c1 ZINC000041085964 527163115 /nfs/dbraw/zinc/16/31/15/527163115.db2.gz DHMQIKJEYIGUAO-UHFFFAOYSA-N 0 0 493.972 4.898 40 0 JJABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(I)cc1 ZINC000020138365 527172547 /nfs/dbraw/zinc/17/25/47/527172547.db2.gz WZCCBMZCXRLYCS-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044948500 527183934 /nfs/dbraw/zinc/18/39/34/527183934.db2.gz WFONQWNGCMVQHL-KRWDZBQOSA-N 0 0 488.959 4.972 40 0 JJABRN O=C(Cc1cccs1)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012476857 527300737 /nfs/dbraw/zinc/30/07/37/527300737.db2.gz SLWPVBKIZRWCCD-VWLOTQADSA-N 0 0 480.586 4.831 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000044900635 527371449 /nfs/dbraw/zinc/37/14/49/527371449.db2.gz QQYWOWLTWLJUHM-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020453009 527374694 /nfs/dbraw/zinc/37/46/94/527374694.db2.gz GPWCIHYLRXYKMB-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020482162 527385421 /nfs/dbraw/zinc/38/54/21/527385421.db2.gz QNTZWSSDXIWIGD-LJAQVGFWSA-N 0 0 496.636 4.927 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000020106573 527385660 /nfs/dbraw/zinc/38/56/60/527385660.db2.gz VAEXEXVPNPGQEG-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1F 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554727406 /nfs/dbraw/zinc/72/74/06/554727406.db2.gz ZMKLMTUZEPAOAX-UHFFFAOYSA-N 0 0 467.953 4.937 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000008832916 554728904 /nfs/dbraw/zinc/72/89/04/554728904.db2.gz RCNIRGPKVGTGAV-UHFFFAOYSA-N 0 0 488.350 4.997 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(C)c(C)cc1O ZINC000008832973 554729086 /nfs/dbraw/zinc/72/90/86/554729086.db2.gz RYAWJBNFDQRABY-UHFFFAOYSA-N 0 0 488.201 4.669 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1c(F)cc(F)cc1Br ZINC000008833052 554729397 /nfs/dbraw/zinc/72/93/97/554729397.db2.gz AEHYTJGHJQGWFR-UHFFFAOYSA-N 0 0 494.155 4.934 40 0 JJABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000008833151 554730017 /nfs/dbraw/zinc/73/00/17/554730017.db2.gz DZFQFXJIKKOLQH-UHFFFAOYSA-N 0 0 479.343 4.959 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1OC ZINC000008835185 554733797 /nfs/dbraw/zinc/73/37/97/554733797.db2.gz REBHYGDSRCMGBD-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 ZINC000008897214 554787338 /nfs/dbraw/zinc/78/73/38/554787338.db2.gz AOZQFFXXWKFXNP-UHFFFAOYSA-N 0 0 493.460 4.877 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000008897037 554787341 /nfs/dbraw/zinc/78/73/41/554787341.db2.gz OGJJDFUFHXHYLN-UHFFFAOYSA-N 0 0 499.851 4.832 40 0 JJABRN Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000008901513 554794879 /nfs/dbraw/zinc/79/48/79/554794879.db2.gz QKHDZHMPUCLXOR-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008902077 554795903 /nfs/dbraw/zinc/79/59/03/554795903.db2.gz SWRYAWPLWAWAAN-UHFFFAOYSA-N 0 0 498.377 4.574 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915378 554808871 /nfs/dbraw/zinc/80/88/71/554808871.db2.gz BYUUQPHVFHKFIX-WFXMLNOXSA-N 0 0 482.817 4.843 40 0 JJABRN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H]([C@@H](c6ccccc6)C5)[C@@H]4C3=O)cc2)cc1 ZINC000008923941 554821100 /nfs/dbraw/zinc/82/11/00/554821100.db2.gz XNBQWOMCCDWEHP-CDBNQHORSA-N 0 0 493.559 4.964 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000008923953 554821339 /nfs/dbraw/zinc/82/13/39/554821339.db2.gz WXKUILBMPFPOIM-ZCFUWVSLSA-N 0 0 497.522 4.795 40 0 JJABRN Cc1ccnc(NC(=O)CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000008995304 554856069 /nfs/dbraw/zinc/85/60/69/554856069.db2.gz QXSVZLIUKZZRQT-HHHXNRCGSA-N 0 0 490.579 4.543 40 0 JJABRN Cc1ccccc1OCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000009064576 554882654 /nfs/dbraw/zinc/88/26/54/554882654.db2.gz FHCRLTHPGUOQSZ-UHFFFAOYSA-N 0 0 459.527 4.886 40 0 JJABRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2c(c1)OCCO2 ZINC000009064601 554882909 /nfs/dbraw/zinc/88/29/09/554882909.db2.gz ZXMDRYHYFGHCIL-UHFFFAOYSA-N 0 0 463.540 4.567 40 0 JJABRN COC(=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC ZINC000009064822 554883780 /nfs/dbraw/zinc/88/37/80/554883780.db2.gz OUWOGUWVNYUMCH-UHFFFAOYSA-N 0 0 473.348 4.524 40 0 JJABRN CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000009224327 554995865 /nfs/dbraw/zinc/99/58/65/554995865.db2.gz GIODRCWVQRVGRR-UHFFFAOYSA-N 0 0 472.526 4.596 40 0 JJABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)CSc1nnc3n1c1ccccc1c(=O)n3-c1ccccc1)C2 ZINC000009284656 555058139 /nfs/dbraw/zinc/05/81/39/555058139.db2.gz QMMFCCMKEQYADP-PPHZAIPVSA-N 0 0 487.629 4.553 40 0 JJABRN Cc1ccccc1NC(=O)Cn1c2ccc(Br)cc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000009287170 555060659 /nfs/dbraw/zinc/06/06/59/555060659.db2.gz YJYSCOBWZMBDPV-UHFFFAOYSA-N 0 0 498.764 4.515 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009332617 555101688 /nfs/dbraw/zinc/10/16/88/555101688.db2.gz CMIBTSDRLYJTPQ-VPBXCIAMSA-N 0 0 483.955 4.803 40 0 JJABRN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3OC)C2)cc1 ZINC000009382184 555146560 /nfs/dbraw/zinc/14/65/60/555146560.db2.gz PIMIJBYVESIJEL-HXUWFJFHSA-N 0 0 469.588 4.510 40 0 JJABRN C[C@H]1CN(C(=O)N[C@]2(C(Cl)(Cl)Cl)Oc3ccc(C(C)(C)C)cc3O2)C[C@H](C)O1 ZINC000009444143 555216857 /nfs/dbraw/zinc/21/68/57/555216857.db2.gz KTZIOEPYGRSFDS-SYTFOFBDSA-N 0 0 451.778 4.598 40 0 JJABRN CCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000009462736 555231997 /nfs/dbraw/zinc/23/19/97/555231997.db2.gz DDAVAODKVWGTQY-SDHOMARFSA-N 0 0 458.514 4.622 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C)c1ccc(Cl)cc1Cl ZINC000009465259 555239108 /nfs/dbraw/zinc/23/91/08/555239108.db2.gz YMRARNXZZMSYSK-VPZZIHKRSA-N 0 0 493.416 4.992 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)cc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013150878 555357171 /nfs/dbraw/zinc/35/71/71/555357171.db2.gz NAXQSRGARBIYCQ-MHZLTWQESA-N 0 0 488.588 4.843 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000013151142 555358542 /nfs/dbraw/zinc/35/85/42/555358542.db2.gz FABLMKPJEDZPPN-HSZRJFAPSA-N 0 0 494.617 4.565 40 0 JJABRN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013151213 555358817 /nfs/dbraw/zinc/35/88/17/555358817.db2.gz STKSGQOBJZOBDX-QFIPXVFZSA-N 0 0 480.041 4.963 40 0 JJABRN CCc1ccc(-n2c3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n3c3ccccc3c2=O)cc1 ZINC000009583094 555390546 /nfs/dbraw/zinc/39/05/46/555390546.db2.gz KCELNFDBMMPZGG-UHFFFAOYSA-N 0 0 497.580 4.529 40 0 JJABRN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)c(Cl)c3)n2C)cc1 ZINC000013423958 555397772 /nfs/dbraw/zinc/39/77/72/555397772.db2.gz SJOMAUVMVATDML-HNNXBMFYSA-N 0 0 457.987 4.711 40 0 JJABRN O=C(C[S@@](=O)c1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000013427324 555400342 /nfs/dbraw/zinc/40/03/42/555400342.db2.gz DTQVCYBCUQDHLI-HKBQPEDESA-N 0 0 471.369 4.987 40 0 JJABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2)c1 ZINC000013465163 555401499 /nfs/dbraw/zinc/40/14/99/555401499.db2.gz APHRRBZVFNFNDA-NDEPHWFRSA-N 0 0 483.616 4.985 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N([C@H](C(=O)NC(C)(C)C)c2ccccc2Cl)C(C)(C)C)no1 ZINC000013471049 555402557 /nfs/dbraw/zinc/40/25/57/555402557.db2.gz YDAYPRDVKVZXLT-NRFANRHFSA-N 0 0 477.005 4.638 40 0 JJABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnsn1 ZINC000013494315 555403706 /nfs/dbraw/zinc/40/37/06/555403706.db2.gz BGXFXOABSWAKOE-QFIPXVFZSA-N 0 0 452.555 4.510 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494289 555403905 /nfs/dbraw/zinc/40/39/05/555403905.db2.gz KQJBTWLXBIOFPR-UHFFFAOYSA-N 0 0 492.627 4.619 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494533 555404843 /nfs/dbraw/zinc/40/48/43/555404843.db2.gz YPOSBVGTFOCJRX-HSZRJFAPSA-N 0 0 458.610 4.774 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494545 555405033 /nfs/dbraw/zinc/40/50/33/555405033.db2.gz OYURSUXSUXZMSB-VWLOTQADSA-N 0 0 488.636 4.864 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494709 555405873 /nfs/dbraw/zinc/40/58/73/555405873.db2.gz ONWNZQBXZDRFHU-VWLOTQADSA-N 0 0 482.588 4.926 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495672 555408741 /nfs/dbraw/zinc/40/87/41/555408741.db2.gz FBHSSSYXVYJPNH-DEOSSOPVSA-N 0 0 476.581 4.775 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496468 555411671 /nfs/dbraw/zinc/41/16/71/555411671.db2.gz MESIFZSHFJXZDJ-VWLOTQADSA-N 0 0 499.619 4.690 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1OC ZINC000013497835 555415652 /nfs/dbraw/zinc/41/56/52/555415652.db2.gz PLFTZKROYVHKKL-RUZDIDTESA-N 0 0 493.629 4.532 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013497893 555415933 /nfs/dbraw/zinc/41/59/33/555415933.db2.gz BHTNTYPZKGDXBB-XMMPIXPASA-N 0 0 458.624 4.737 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498611 555422515 /nfs/dbraw/zinc/42/25/15/555422515.db2.gz OVHGJZVZDLQSIH-VWLOTQADSA-N 0 0 488.636 4.720 40 0 JJABRN Cc1cc2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498958 555426328 /nfs/dbraw/zinc/42/63/28/555426328.db2.gz QFPLFSQFIYSVHP-AREMUKBSSA-N 0 0 497.603 4.567 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499429 555431384 /nfs/dbraw/zinc/43/13/84/555431384.db2.gz RZEPZCVUVYZBJT-XMMPIXPASA-N 0 0 473.625 4.825 40 0 JJABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499461 555431759 /nfs/dbraw/zinc/43/17/59/555431759.db2.gz PXTTYGXMJMLZJK-UKILVPOCSA-N 0 0 478.641 4.769 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(C)c(C)s4)n21)CC[C@@H](C)C3 ZINC000013499825 555434962 /nfs/dbraw/zinc/43/49/62/555434962.db2.gz CRCLUOSZFGOJDN-SNVBAGLBSA-N 0 0 472.665 4.830 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 ZINC000013499991 555435719 /nfs/dbraw/zinc/43/57/19/555435719.db2.gz PXYVIYKHBYBBOW-UHFFFAOYSA-N 0 0 483.619 4.987 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500173 555437305 /nfs/dbraw/zinc/43/73/05/555437305.db2.gz QXLJBPATFHNSTE-HSZRJFAPSA-N 0 0 466.630 4.954 40 0 JJABRN COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500234 555438113 /nfs/dbraw/zinc/43/81/13/555438113.db2.gz SYCDTEJRHAOARB-RUZDIDTESA-N 0 0 488.636 4.986 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500421 555440110 /nfs/dbraw/zinc/44/01/10/555440110.db2.gz ILNNLTRKKQFKFA-QHCPKHFHSA-N 0 0 462.598 4.961 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500965 555445828 /nfs/dbraw/zinc/44/58/28/555445828.db2.gz CLJVDSHSPCHWIN-URXFXBBRSA-N 0 0 492.649 4.607 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501144 555447762 /nfs/dbraw/zinc/44/77/62/555447762.db2.gz MJCXWTXGTFPNLF-RUZDIDTESA-N 0 0 474.584 4.906 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501116 555447767 /nfs/dbraw/zinc/44/77/67/555447767.db2.gz JVTKVZGJKVKDIA-RUZDIDTESA-N 0 0 470.621 4.962 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC000013501473 555449802 /nfs/dbraw/zinc/44/98/02/555449802.db2.gz PXNFMARXUWXTRY-VWLOTQADSA-N 0 0 494.542 4.768 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501458 555449846 /nfs/dbraw/zinc/44/98/46/555449846.db2.gz OPCNDDNJYVPKRB-XMMPIXPASA-N 0 0 496.608 4.686 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2cccc(F)c2)cc1 ZINC000013501477 555449903 /nfs/dbraw/zinc/44/99/03/555449903.db2.gz QXPLFNNUCQBINZ-AREMUKBSSA-N 0 0 490.579 4.937 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501761 555451218 /nfs/dbraw/zinc/45/12/18/555451218.db2.gz PJDOTXYBXOOQEO-XMMPIXPASA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccc(F)cc2)cc1 ZINC000013501837 555451766 /nfs/dbraw/zinc/45/17/66/555451766.db2.gz CVYARRRPHIPSSI-HSZRJFAPSA-N 0 0 496.608 4.999 40 0 JJABRN Cc1cc(NC(=O)c2cccs2)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000013502053 555452498 /nfs/dbraw/zinc/45/24/98/555452498.db2.gz JINVLAJHAHZKCD-UHFFFAOYSA-N 0 0 469.617 4.897 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)cc1OC ZINC000013502221 555453602 /nfs/dbraw/zinc/45/36/02/555453602.db2.gz SMQNNVHQXWYTBV-RUZDIDTESA-N 0 0 477.561 4.524 40 0 JJABRN Cc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@@H](C)CC5)no1 ZINC000013502554 555455934 /nfs/dbraw/zinc/45/59/34/555455934.db2.gz CVJKZJJHMWTIHJ-NSHDSACASA-N 0 0 456.597 4.614 40 0 JJABRN C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NCc5cccs5)nnc4c23)C1 ZINC000013502603 555456213 /nfs/dbraw/zinc/45/62/13/555456213.db2.gz LMJGDTUGRPPMAK-LBPRGKRZSA-N 0 0 469.661 4.811 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013503407 555460945 /nfs/dbraw/zinc/46/09/45/555460945.db2.gz ZVRMXNGNUCWCAC-AREMUKBSSA-N 0 0 469.637 4.895 40 0 JJABRN CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(C)c(NC(C)=O)c1)OCCO3 ZINC000013503652 555461302 /nfs/dbraw/zinc/46/13/02/555461302.db2.gz XQOPDFCBGBBHLL-UHFFFAOYSA-N 0 0 451.548 4.566 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013504169 555463019 /nfs/dbraw/zinc/46/30/19/555463019.db2.gz JNUKGGOMZDPALH-DEOSSOPVSA-N 0 0 499.059 4.709 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504721 555464610 /nfs/dbraw/zinc/46/46/10/555464610.db2.gz VIYFKZJOVHCLJU-NRFANRHFSA-N 0 0 462.495 4.543 40 0 JJABRN Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013505248 555465875 /nfs/dbraw/zinc/46/58/75/555465875.db2.gz BFWBASWWQKBBID-RUZDIDTESA-N 0 0 458.635 4.620 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2CCC(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013505349 555466038 /nfs/dbraw/zinc/46/60/38/555466038.db2.gz VIYRZAKGAIAEEC-QHCPKHFHSA-N 0 0 461.639 4.549 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccco1 ZINC000013506054 555469669 /nfs/dbraw/zinc/46/96/69/555469669.db2.gz JOTAKPOZISKYPW-QFIPXVFZSA-N 0 0 485.993 4.558 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013506190 555470305 /nfs/dbraw/zinc/47/03/05/555470305.db2.gz SIPVCLPPZNBMSU-SANMLTNESA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1 ZINC000013506241 555470610 /nfs/dbraw/zinc/47/06/10/555470610.db2.gz LWDJPZHIHPUKHV-RUZDIDTESA-N 0 0 475.614 4.620 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2cccs2)o1 ZINC000013506384 555471294 /nfs/dbraw/zinc/47/12/94/555471294.db2.gz JTABUHBLOZWMHQ-RUZDIDTESA-N 0 0 493.629 4.598 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)o1 ZINC000013506381 555471297 /nfs/dbraw/zinc/47/12/97/555471297.db2.gz ADZJTNZXWWVQHK-DEOSSOPVSA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506434 555471634 /nfs/dbraw/zinc/47/16/34/555471634.db2.gz NZAIYHKJVYNFLN-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506455 555471695 /nfs/dbraw/zinc/47/16/95/555471695.db2.gz CJTPQYBHPVWGHW-QHCPKHFHSA-N 0 0 481.643 4.763 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506466 555471774 /nfs/dbraw/zinc/47/17/74/555471774.db2.gz HTVHWMQIVOIJRQ-RUZDIDTESA-N 0 0 493.604 4.840 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000013506766 555473756 /nfs/dbraw/zinc/47/37/56/555473756.db2.gz KUQZPUJYUVGXQF-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)o1 ZINC000013507539 555476583 /nfs/dbraw/zinc/47/65/83/555476583.db2.gz WANOZAHLBPGKDG-SANMLTNESA-N 0 0 491.588 4.751 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013507726 555476676 /nfs/dbraw/zinc/47/66/76/555476676.db2.gz OKOBANKERCYGSW-DEOSSOPVSA-N 0 0 479.602 4.603 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013507878 555477266 /nfs/dbraw/zinc/47/72/66/555477266.db2.gz HKMBHUAKYZJORF-SANMLTNESA-N 0 0 491.563 4.680 40 0 JJABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000013552835 555492980 /nfs/dbraw/zinc/49/29/80/555492980.db2.gz OHNOHZYIEIIUNQ-KEYYUXOJSA-N 0 0 467.658 4.751 40 0 JJABRN FC(F)(F)c1cccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)c1 ZINC000013561845 555495387 /nfs/dbraw/zinc/49/53/87/555495387.db2.gz SAILQTOENAVGSP-JOCHJYFZSA-N 0 0 456.516 4.719 40 0 JJABRN COc1ccc(CCN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2cccnc2)cc1 ZINC000013562013 555495878 /nfs/dbraw/zinc/49/58/78/555495878.db2.gz LOHSXSBZCIRSPP-UHFFFAOYSA-N 0 0 475.932 4.906 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000013562378 555496758 /nfs/dbraw/zinc/49/67/58/555496758.db2.gz GUMILFUAKSSAND-ZCNNSNEGSA-N 0 0 476.646 4.611 40 0 JJABRN CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCN(c2cccc(OC)c2)CC1 ZINC000013562683 555497387 /nfs/dbraw/zinc/49/73/87/555497387.db2.gz SMAPPMLCUWALTF-UHFFFAOYSA-N 0 0 487.604 4.620 40 0 JJABRN COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc5c(c4)OCO5)cc23)cc1OC ZINC000013564736 555499810 /nfs/dbraw/zinc/49/98/10/555499810.db2.gz DTMOAWVMOBWJRL-UHFFFAOYSA-N 0 0 496.523 4.739 40 0 JJABRN Cc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564971 555500590 /nfs/dbraw/zinc/50/05/90/555500590.db2.gz UTLGKAYIUWHEFR-UHFFFAOYSA-N 0 0 460.603 4.664 40 0 JJABRN COc1ccc(C2(C(=O)N3CCC[C@H](c4nnc(SCc5cccnc5)n4C)C3)CCCC2)cc1 ZINC000013565216 555501256 /nfs/dbraw/zinc/50/12/56/555501256.db2.gz XZRKVWXRTABXKK-NRFANRHFSA-N 0 0 491.661 4.729 40 0 JJABRN COc1ccc2c(c1)c(C(=O)CSc1nnc(-c3ccccn3)c(-c3ccccn3)n1)c(C)n2C ZINC000013566528 555503520 /nfs/dbraw/zinc/50/35/20/555503520.db2.gz NLYSXRSXTDWUBC-UHFFFAOYSA-N 0 0 482.569 4.779 40 0 JJABRN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1 ZINC000013566994 555503686 /nfs/dbraw/zinc/50/36/86/555503686.db2.gz JUOFZXATBLCZFU-UHFFFAOYSA-N 0 0 472.526 4.550 40 0 JJABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013572352 555510897 /nfs/dbraw/zinc/51/08/97/555510897.db2.gz CCFKOUCDHLKLEC-LAUBAEHRSA-N 0 0 472.635 4.740 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1Cl ZINC000019854327 555512127 /nfs/dbraw/zinc/51/21/27/555512127.db2.gz PTAYPHOBSOVKQD-UHFFFAOYSA-N 0 0 467.776 4.637 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856149 555514231 /nfs/dbraw/zinc/51/42/31/555514231.db2.gz DTGIZYRSMBHBDX-UHFFFAOYSA-N 0 0 479.602 4.602 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000019856284 555514798 /nfs/dbraw/zinc/51/47/98/555514798.db2.gz WOQARPWUSJTHMT-UHFFFAOYSA-N 0 0 460.939 4.546 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000019856387 555515372 /nfs/dbraw/zinc/51/53/72/555515372.db2.gz JLPJGWNFWPESNV-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000019856499 555515954 /nfs/dbraw/zinc/51/59/54/555515954.db2.gz YMEGJEILSARPFH-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccccc2)c1 ZINC000019856576 555516556 /nfs/dbraw/zinc/51/65/56/555516556.db2.gz DPNHPHAKYWFFQN-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1cccc2ccccc21 ZINC000019856660 555516877 /nfs/dbraw/zinc/51/68/77/555516877.db2.gz JOQFUZUANGPAHY-UHFFFAOYSA-N 0 0 467.772 4.660 40 0 JJABRN CN(c1ccccc1C(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019856891 555517936 /nfs/dbraw/zinc/51/79/36/555517936.db2.gz MVWYDHSSGYQYGY-UHFFFAOYSA-N 0 0 475.035 4.828 40 0 JJABRN CN(c1ccccc1C(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000019856890 555517973 /nfs/dbraw/zinc/51/79/73/555517973.db2.gz NRPDSMSKCDQSIO-UHFFFAOYSA-N 0 0 475.035 4.828 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC ZINC000013581435 555519449 /nfs/dbraw/zinc/51/94/49/555519449.db2.gz ASZDNFLOMYUIPA-UHFFFAOYSA-N 0 0 466.603 4.568 40 0 JJABRN CC(C)CNC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584314 555521938 /nfs/dbraw/zinc/52/19/38/555521938.db2.gz LCDJIWQNPDTORK-UHFFFAOYSA-N 0 0 451.013 4.907 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868670 555523082 /nfs/dbraw/zinc/52/30/82/555523082.db2.gz ZCGJJOKSBAKCSZ-UHFFFAOYSA-N 0 0 459.370 4.621 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585311 555523425 /nfs/dbraw/zinc/52/34/25/555523425.db2.gz SPVUDQOHQWVSRM-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585291 555523455 /nfs/dbraw/zinc/52/34/55/555523455.db2.gz CLWUXHOGGZXZOC-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585427 555523640 /nfs/dbraw/zinc/52/36/40/555523640.db2.gz NGNTYYFHUBRXBY-JOCHJYFZSA-N 0 0 480.630 4.727 40 0 JJABRN CCN(CC)C(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585527 555523950 /nfs/dbraw/zinc/52/39/50/555523950.db2.gz UAVLTWKNKLOCNJ-UHFFFAOYSA-N 0 0 466.603 4.638 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1 ZINC000013585549 555523953 /nfs/dbraw/zinc/52/39/53/555523953.db2.gz ZEHWTRASXLZGRE-UHFFFAOYSA-N 0 0 480.630 4.932 40 0 JJABRN CCN(c1ccc2sc(C(=O)NCc3ccco3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609909 555533542 /nfs/dbraw/zinc/53/35/42/555533542.db2.gz YDNIRCMNLCDHEJ-UHFFFAOYSA-N 0 0 454.573 4.948 40 0 JJABRN C[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013613140 555535065 /nfs/dbraw/zinc/53/50/65/555535065.db2.gz LCJVBTGUIYIQJL-CQSZACIVSA-N 0 0 457.423 4.934 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 ZINC000013613267 555535373 /nfs/dbraw/zinc/53/53/73/555535373.db2.gz KMZUWSVNWSNYAS-UHFFFAOYSA-N 0 0 477.413 4.938 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(C)c1 ZINC000013613792 555535637 /nfs/dbraw/zinc/53/56/37/555535637.db2.gz FFXQEZQGGNBHOC-UHFFFAOYSA-N 0 0 484.549 4.529 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(Br)cc2)cc1 ZINC000013631831 555541606 /nfs/dbraw/zinc/54/16/06/555541606.db2.gz CYOFQAOFZCKSKN-GOSISDBHSA-N 0 0 499.430 4.931 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000013632387 555542186 /nfs/dbraw/zinc/54/21/86/555542186.db2.gz DOFDADNNRAXDPQ-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013632558 555542550 /nfs/dbraw/zinc/54/25/50/555542550.db2.gz XDXJLEPUDUDNHI-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN COc1ccc(-c2nnc(CSc3n[nH]c(-c4ccc(Br)cc4)n3)o2)cc1OC ZINC000019927905 555542785 /nfs/dbraw/zinc/54/27/85/555542785.db2.gz DWGRYAIKUMHRBD-UHFFFAOYSA-N 0 0 474.340 4.594 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(COc4ccc(C)c(C)c4)o3)o2)cc1OC ZINC000019928059 555543284 /nfs/dbraw/zinc/54/32/84/555543284.db2.gz GFCXCAGCNUYKOI-UHFFFAOYSA-N 0 0 454.508 4.625 40 0 JJABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1C ZINC000013635805 555545096 /nfs/dbraw/zinc/54/50/96/555545096.db2.gz QEZXLWXJRQABJW-UHFFFAOYSA-N 0 0 466.339 4.822 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4C)o3)o2)cc1OC ZINC000019929302 555546076 /nfs/dbraw/zinc/54/60/76/555546076.db2.gz FDWUKAOBMCDUKI-UHFFFAOYSA-N 0 0 474.926 4.970 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000019930917 555547999 /nfs/dbraw/zinc/54/79/99/555547999.db2.gz MJVTUZPDCQHLBO-OAQYLSRUSA-N 0 0 480.483 4.681 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019930977 555548192 /nfs/dbraw/zinc/54/81/92/555548192.db2.gz FRAIWFCSMCJMNK-GAJHUEQPSA-N 0 0 489.062 4.829 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019930975 555548286 /nfs/dbraw/zinc/54/82/86/555548286.db2.gz FRAIWFCSMCJMNK-UZUQRXQVSA-N 0 0 489.062 4.829 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019933111 555550362 /nfs/dbraw/zinc/55/03/62/555550362.db2.gz MASQSFRGDCFFFR-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000013646288 555550866 /nfs/dbraw/zinc/55/08/66/555550866.db2.gz OWGOEEMZVFLHLD-UHFFFAOYSA-N 0 0 487.449 4.687 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000019934528 555551994 /nfs/dbraw/zinc/55/19/94/555551994.db2.gz IXOFUDNENIAIFM-UHFFFAOYSA-N 0 0 464.587 4.640 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(C)c(C)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935901 555553176 /nfs/dbraw/zinc/55/31/76/555553176.db2.gz KTTUXRIXDKNHFY-XMMPIXPASA-N 0 0 452.576 4.703 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccccc2Cl)cc1 ZINC000013648724 555553217 /nfs/dbraw/zinc/55/32/17/555553217.db2.gz QCRQUMXMFGMLQY-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cc(Cl)ccc2C)cc1 ZINC000013649025 555553527 /nfs/dbraw/zinc/55/35/27/555553527.db2.gz WFFWKMFJXVPUNQ-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2cccc(SC)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936087 555553712 /nfs/dbraw/zinc/55/37/12/555553712.db2.gz HSKZAXDVFMQVJI-QHCPKHFHSA-N 0 0 470.616 4.808 40 0 JJABRN 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555571598 /nfs/dbraw/zinc/57/15/98/555571598.db2.gz HTDXJBWEIUWIKJ-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013680045 555572298 /nfs/dbraw/zinc/57/22/98/555572298.db2.gz UJXBWGQQDSUNHQ-AWEZNQCLSA-N 0 0 461.798 4.827 40 0 JJABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680232 555572674 /nfs/dbraw/zinc/57/26/74/555572674.db2.gz KIHIALUBDHOSFR-OAHLLOKOSA-N 0 0 471.406 4.573 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000013680285 555572680 /nfs/dbraw/zinc/57/26/80/555572680.db2.gz YHQLRDIUNIDIEV-KRWDZBQOSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013680463 555572920 /nfs/dbraw/zinc/57/29/20/555572920.db2.gz IXYLUZMZOYGRBY-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680479 555572957 /nfs/dbraw/zinc/57/29/57/555572957.db2.gz 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C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000013683605 555577591 /nfs/dbraw/zinc/57/75/91/555577591.db2.gz STJYYWWGNOXOPX-MRXNPFEDSA-N 0 0 453.336 4.958 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000020004410 555577720 /nfs/dbraw/zinc/57/77/20/555577720.db2.gz MERXKXNJEWMHPL-HSZRJFAPSA-N 0 0 450.604 4.757 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000020004404 555577747 /nfs/dbraw/zinc/57/77/47/555577747.db2.gz NRQQJDHKKSRSBO-DEOSSOPVSA-N 0 0 450.604 4.757 40 0 JJABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013684836 555578637 /nfs/dbraw/zinc/57/86/37/555578637.db2.gz CTUHWWBVYKLGTG-UHFFFAOYSA-N 0 0 452.938 4.938 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000020004966 555578859 /nfs/dbraw/zinc/57/88/59/555578859.db2.gz UGRBNMHNQLLLEK-IZZNHLLZSA-N 0 0 476.642 4.695 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 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COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(SC)cc2)Cc2ccccc2)cc1C ZINC000020013837 555590069 /nfs/dbraw/zinc/59/00/69/555590069.db2.gz WISKQMRYKXGNDL-HXUWFJFHSA-N 0 0 498.670 4.794 40 0 JJABRN CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712800 555590247 /nfs/dbraw/zinc/59/02/47/555590247.db2.gz SVAZWVZUFMWHID-QFIPXVFZSA-N 0 0 456.995 4.790 40 0 JJABRN COc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1OC ZINC000010001539 555590287 /nfs/dbraw/zinc/59/02/87/555590287.db2.gz KUNKKTJWTRPGBT-XDHOZWIPSA-N 0 0 493.899 4.930 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010001573 555590372 /nfs/dbraw/zinc/59/03/72/555590372.db2.gz UZDWOWWBVSMCID-RCCKNPSSSA-N 0 0 473.481 4.666 40 0 JJABRN CC[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713018 555590521 /nfs/dbraw/zinc/59/05/21/555590521.db2.gz SKAOIIYSUYEPLH-RUZDIDTESA-N 0 0 450.604 4.769 40 0 JJABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000010003597 555590611 /nfs/dbraw/zinc/59/06/11/555590611.db2.gz AJVFOYNREIZZST-UHFFFAOYSA-N 0 0 463.540 4.827 40 0 JJABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013713534 555591167 /nfs/dbraw/zinc/59/11/67/555591167.db2.gz WYVWBPPALSLZKV-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1C ZINC000020015244 555591495 /nfs/dbraw/zinc/59/14/95/555591495.db2.gz XRWDDCLHUKKOTD-UHFFFAOYSA-N 0 0 474.529 4.502 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C2CCCCC2)cc1 ZINC000020015501 555591661 /nfs/dbraw/zinc/59/16/61/555591661.db2.gz CVIWYWCTOLCDOM-VWLOTQADSA-N 0 0 470.635 4.603 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N1CCCC1 ZINC000010009887 555591728 /nfs/dbraw/zinc/59/17/28/555591728.db2.gz QWXSUEOIUKNVHL-UHFFFAOYSA-N 0 0 456.395 4.534 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714323 555591768 /nfs/dbraw/zinc/59/17/68/555591768.db2.gz CQIPORZTFOSQSS-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000010010143 555592034 /nfs/dbraw/zinc/59/20/34/555592034.db2.gz IGBGZCFEGMUDFH-UHFFFAOYSA-N 0 0 480.655 4.792 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C(C)C)cc4)c3)nn12 ZINC000010010331 555592568 /nfs/dbraw/zinc/59/25/68/555592568.db2.gz GOAOKHOPHSWAJW-UHFFFAOYSA-N 0 0 451.552 4.565 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)nn12 ZINC000010010341 555592598 /nfs/dbraw/zinc/59/25/98/555592598.db2.gz QHRSTIVOTQXEBV-UHFFFAOYSA-N 0 0 471.970 4.712 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715490 555592695 /nfs/dbraw/zinc/59/26/95/555592695.db2.gz GFUQDPQYIQFSGX-INIZCTEOSA-N 0 0 452.857 4.681 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715577 555592985 /nfs/dbraw/zinc/59/29/85/555592985.db2.gz VJFQRBLHGXPGEN-LJQANCHMSA-N 0 0 493.453 4.727 40 0 JJABRN CC[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716269 555593557 /nfs/dbraw/zinc/59/35/57/555593557.db2.gz GEAWZQGKNNXRKF-OAQYLSRUSA-N 0 0 469.072 4.551 40 0 JJABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000020018657 555594742 /nfs/dbraw/zinc/59/47/42/555594742.db2.gz JJVUKYSNMSBYRS-GOSISDBHSA-N 0 0 490.691 4.819 40 0 JJABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020019643 555595905 /nfs/dbraw/zinc/59/59/05/555595905.db2.gz QGIPSKAHHJVGJK-GFCCVEGCSA-N 0 0 498.445 4.819 40 0 JJABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020021064 555598195 /nfs/dbraw/zinc/59/81/95/555598195.db2.gz RCRXNZIZDYICQU-KRWDZBQOSA-N 0 0 488.993 4.714 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc1 ZINC000020022373 555599943 /nfs/dbraw/zinc/59/99/43/555599943.db2.gz KNTSALMMZXPDLP-QGZVFWFLSA-N 0 0 488.993 4.714 40 0 JJABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)cc1 ZINC000020022376 555600049 /nfs/dbraw/zinc/60/00/49/555600049.db2.gz KNTSALMMZXPDLP-KRWDZBQOSA-N 0 0 488.993 4.714 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020022910 555600601 /nfs/dbraw/zinc/60/06/01/555600601.db2.gz SQRSWMSYJFRVSD-UHFFFAOYSA-N 0 0 494.894 4.690 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000020022804 555600607 /nfs/dbraw/zinc/60/06/07/555600607.db2.gz YKYKXKYBJNLDNH-QHCPKHFHSA-N 0 0 497.016 4.664 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(Cl)c2)cc1 ZINC000020023487 555601517 /nfs/dbraw/zinc/60/15/17/555601517.db2.gz RWBWSSFBUXCDBL-UHFFFAOYSA-N 0 0 496.919 4.835 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1)c1ccccc1 ZINC000020023828 555601732 /nfs/dbraw/zinc/60/17/32/555601732.db2.gz KVLOCBSJUZAKJJ-FQRUVTKNSA-N 0 0 462.615 4.853 40 0 JJABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020023926 555602052 /nfs/dbraw/zinc/60/20/52/555602052.db2.gz AYSCRAYTOUEEGR-LJQANCHMSA-N 0 0 471.022 4.671 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(F)c2F)cc1)c1ccccc1 ZINC000020023896 555602059 /nfs/dbraw/zinc/60/20/59/555602059.db2.gz ZZZJZTHLSITCOX-HNNXBMFYSA-N 0 0 462.493 4.715 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020024271 555602385 /nfs/dbraw/zinc/60/23/85/555602385.db2.gz URTDBXFUECDTET-LJQANCHMSA-N 0 0 452.576 4.614 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020024655 555602638 /nfs/dbraw/zinc/60/26/38/555602638.db2.gz UYBRAFXCHWANTP-AREMUKBSSA-N 0 0 474.626 4.955 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC ZINC000020025060 555603191 /nfs/dbraw/zinc/60/31/91/555603191.db2.gz PUVUFOPKGXIZAU-UHFFFAOYSA-N 0 0 484.418 4.673 40 0 JJABRN CCOc1cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc(OCC)c1OCC ZINC000010041479 555605919 /nfs/dbraw/zinc/60/59/19/555605919.db2.gz ZFYYZRRSAOEFLU-UHFFFAOYSA-N 0 0 468.506 4.989 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020034738 555609450 /nfs/dbraw/zinc/60/94/50/555609450.db2.gz BYRSSYSNOSVVOH-VWLOTQADSA-N 0 0 466.603 4.851 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020035378 555609949 /nfs/dbraw/zinc/60/99/49/555609949.db2.gz MZWFOILDAMYQGR-MRXNPFEDSA-N 0 0 485.993 4.921 40 0 JJABRN CCOC(=O)c1cc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020035300 555610019 /nfs/dbraw/zinc/61/00/19/555610019.db2.gz QAMQEZICAYHENY-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000013752271 555610265 /nfs/dbraw/zinc/61/02/65/555610265.db2.gz FXRVZIUSXVMWPB-FSSWDIPSSA-N 0 0 485.323 4.759 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020039427 555612728 /nfs/dbraw/zinc/61/27/28/555612728.db2.gz LZQPCVSGJRQGPC-IBGZPJMESA-N 0 0 470.566 4.606 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020038927 555612752 /nfs/dbraw/zinc/61/27/52/555612752.db2.gz AQMCEDIBAFOPEA-JPYJTQIMSA-N 0 0 456.995 4.709 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000020040509 555613411 /nfs/dbraw/zinc/61/34/11/555613411.db2.gz DIBVNABUWIXPJG-LJQANCHMSA-N 0 0 455.407 4.733 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1OC ZINC000020040687 555613563 /nfs/dbraw/zinc/61/35/63/555613563.db2.gz HWYHLCPMFQJCPI-UHFFFAOYSA-N 0 0 482.602 4.702 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000020044462 555615572 /nfs/dbraw/zinc/61/55/72/555615572.db2.gz SQXLPMILLDAHKJ-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1Cl ZINC000020046869 555617224 /nfs/dbraw/zinc/61/72/24/555617224.db2.gz VHLKQYCXAMMXFW-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000020047233 555617610 /nfs/dbraw/zinc/61/76/10/555617610.db2.gz MVQIMDWEVBKKDE-KRWDZBQOSA-N 0 0 450.560 4.926 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020047261 555617670 /nfs/dbraw/zinc/61/76/70/555617670.db2.gz WLVQMLNVBVEPHD-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1Cl ZINC000020047518 555617900 /nfs/dbraw/zinc/61/79/00/555617900.db2.gz YPEDRGBPNSUXHP-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010110197 555619582 /nfs/dbraw/zinc/61/95/82/555619582.db2.gz KKORWSOGUHJXPA-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000010110206 555619598 /nfs/dbraw/zinc/61/95/98/555619598.db2.gz VFEKUMHRFCEARE-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020050356 555619742 /nfs/dbraw/zinc/61/97/42/555619742.db2.gz VWXDWXOQPQYGBJ-SFHVURJKSA-N 0 0 462.921 4.701 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000010110250 555619976 /nfs/dbraw/zinc/61/99/76/555619976.db2.gz IHAMBHBDEJBVEY-UHFFFAOYSA-N 0 0 456.995 4.669 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010110748 555620864 /nfs/dbraw/zinc/62/08/64/555620864.db2.gz RRQNSCYXTXSXRA-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010110799 555621125 /nfs/dbraw/zinc/62/11/25/555621125.db2.gz LFXRNSOOFJGSPL-UHFFFAOYSA-N 0 0 471.022 4.977 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110912 555621142 /nfs/dbraw/zinc/62/11/42/555621142.db2.gz TUAVAKTZGVSRRP-UHFFFAOYSA-N 0 0 494.657 4.955 40 0 JJABRN COc1cccc(N(CC(=O)NCCSCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020060888 555623692 /nfs/dbraw/zinc/62/36/92/555623692.db2.gz PURWCRQDGUFSJY-UHFFFAOYSA-N 0 0 498.670 4.557 40 0 JJABRN Cc1cc(C(=O)NCCSCc2ccccc2F)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112071 555624568 /nfs/dbraw/zinc/62/45/68/555624568.db2.gz RMMDIDARLHYMPK-UHFFFAOYSA-N 0 0 458.580 4.598 40 0 JJABRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000010112606 555625645 /nfs/dbraw/zinc/62/56/45/555625645.db2.gz JICSHSRXXBLOPV-UHFFFAOYSA-N 0 0 452.576 4.637 40 0 JJABRN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)nn21 ZINC000013811443 555628200 /nfs/dbraw/zinc/62/82/00/555628200.db2.gz RAZORPDCNBPKQT-IZZBFERCSA-N 0 0 489.963 4.542 40 0 JJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1 ZINC000013842123 555631561 /nfs/dbraw/zinc/63/15/61/555631561.db2.gz WXUDJYPUNYHGAK-UHFFFAOYSA-N 0 0 451.379 4.994 40 0 JJABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000010119865 555631767 /nfs/dbraw/zinc/63/17/67/555631767.db2.gz IMRCXWIORFQIQK-UHFFFAOYSA-N 0 0 457.515 4.693 40 0 JJABRN CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020098292 555632872 /nfs/dbraw/zinc/63/28/72/555632872.db2.gz SXLIMEMTJFMVKW-VWLOTQADSA-N 0 0 472.662 4.986 40 0 JJABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000020098752 555633548 /nfs/dbraw/zinc/63/35/48/555633548.db2.gz NHTFVAXOUPINIM-FCHUYYIVSA-N 0 0 457.981 4.991 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000010128327 555633919 /nfs/dbraw/zinc/63/39/19/555633919.db2.gz DLVKDJCCUHVJRH-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000010128348 555633930 /nfs/dbraw/zinc/63/39/30/555633930.db2.gz KLEMJYNTUJHXIJ-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010128407 555634026 /nfs/dbraw/zinc/63/40/26/555634026.db2.gz PXTFGWUCRRSOPD-XMMPIXPASA-N 0 0 450.604 4.648 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc(OCC)c1OCC ZINC000010129793 555634566 /nfs/dbraw/zinc/63/45/66/555634566.db2.gz LFHYCQCOTBIZKI-UHFFFAOYSA-N 0 0 467.551 4.610 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020104226 555636577 /nfs/dbraw/zinc/63/65/77/555636577.db2.gz ZTTBMNHJQNSWCO-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000020104588 555637071 /nfs/dbraw/zinc/63/70/71/555637071.db2.gz ZXCCMQIYCAXJTE-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000013871373 555637614 /nfs/dbraw/zinc/63/76/14/555637614.db2.gz FPQYRIMOSPHWEB-CQSZACIVSA-N 0 0 453.593 4.858 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3nnc4c(-c5ccccc5)c(C(C)C)nn4c3C2)cc(OC)c1OC ZINC000010156952 555638216 /nfs/dbraw/zinc/63/82/16/555638216.db2.gz NQTJTQHERPAZJP-KRWDZBQOSA-N 0 0 472.545 4.853 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020105082 555638379 /nfs/dbraw/zinc/63/83/79/555638379.db2.gz TZOGLIKMYOYXNS-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN 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555699321 /nfs/dbraw/zinc/69/93/21/555699321.db2.gz LWRFUWVJBJTGSS-SNVBAGLBSA-N 0 0 496.210 4.558 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)cc1 ZINC000010372292 555700185 /nfs/dbraw/zinc/70/01/85/555700185.db2.gz FHWXNYMKCQZQBL-UHFFFAOYSA-N 0 0 479.602 4.742 40 0 JJABRN CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cc(OC)cc(OC)c1 ZINC000014137158 555704363 /nfs/dbraw/zinc/70/43/63/555704363.db2.gz KNRSLEPWTCZMTB-UHFFFAOYSA-N 0 0 466.485 4.732 40 0 JJABRN CCn1c(COc2ccccc2F)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000014152685 555708452 /nfs/dbraw/zinc/70/84/52/555708452.db2.gz ZJHGTASVAFZLSU-UHFFFAOYSA-N 0 0 450.333 4.754 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000014153562 555709712 /nfs/dbraw/zinc/70/97/12/555709712.db2.gz FLQHNENTBZUINA-UHFFFAOYSA-N 0 0 451.548 4.623 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2C)c1 ZINC000014153698 555710074 /nfs/dbraw/zinc/71/00/74/555710074.db2.gz CGCMSPQQWCYACA-UHFFFAOYSA-N 0 0 479.602 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CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1C ZINC000010443659 555712150 /nfs/dbraw/zinc/71/21/50/555712150.db2.gz FDVCAKYUQGAOGQ-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000010445041 555712707 /nfs/dbraw/zinc/71/27/07/555712707.db2.gz PJJFSBKRWFFNQF-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN COc1ccc(C)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014155769 555714371 /nfs/dbraw/zinc/71/43/71/555714371.db2.gz MACCBSPZGBPUER-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010448604 555714464 /nfs/dbraw/zinc/71/44/64/555714464.db2.gz KQYHSRHQTHDSLO-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010448718 555714764 /nfs/dbraw/zinc/71/47/64/555714764.db2.gz DEHFKQNCCYJFPP-UHFFFAOYSA-N 0 0 472.994 4.635 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000010448745 555714811 /nfs/dbraw/zinc/71/48/11/555714811.db2.gz XNSOJQBVUYNMIQ-UHFFFAOYSA-N 0 0 496.673 4.636 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2cccc(Br)c2)cc1 ZINC000010449737 555715918 /nfs/dbraw/zinc/71/59/18/555715918.db2.gz UQULKJJTVGIIPW-GOSISDBHSA-N 0 0 499.430 4.931 40 0 JJABRN O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1ccc(Br)cc1 ZINC000010475635 555719167 /nfs/dbraw/zinc/71/91/67/555719167.db2.gz ZYKYQQMUTCXQNW-UHFFFAOYSA-N 0 0 483.185 4.916 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000020233884 555725232 /nfs/dbraw/zinc/72/52/32/555725232.db2.gz LPUCTENKEFRAFD-UHFFFAOYSA-N 0 0 498.670 4.639 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000020233907 555725237 /nfs/dbraw/zinc/72/52/37/555725237.db2.gz TZWQOSCDYUPFHI-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(I)cc1 ZINC000010542710 555725504 /nfs/dbraw/zinc/72/55/04/555725504.db2.gz VAZLFZUHAPGSLQ-UHFFFAOYSA-N 0 0 461.274 4.939 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020234415 555726183 /nfs/dbraw/zinc/72/61/83/555726183.db2.gz OUHGRYYGCBQMBR-UHFFFAOYSA-N 0 0 475.035 4.752 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000020234812 555726810 /nfs/dbraw/zinc/72/68/10/555726810.db2.gz VCAIGIZQTRMIDV-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235718 555728623 /nfs/dbraw/zinc/72/86/23/555728623.db2.gz NIBHPLHXALIWJB-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(Cl)cc2C)cc1 ZINC000020236312 555729737 /nfs/dbraw/zinc/72/97/37/555729737.db2.gz RXVOLDUYOSNSFG-UHFFFAOYSA-N 0 0 451.032 4.949 40 0 JJABRN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000010692019 555733159 /nfs/dbraw/zinc/73/31/59/555733159.db2.gz HAFWZLWDZZABHH-UHFFFAOYSA-N 0 0 485.433 4.961 40 0 JJABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692333 555733195 /nfs/dbraw/zinc/73/31/95/555733195.db2.gz NTEZIXIMBUBNAL-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010692391 555733467 /nfs/dbraw/zinc/73/34/67/555733467.db2.gz QCXNEKLPZLDLLC-UHFFFAOYSA-N 0 0 471.406 4.573 40 0 JJABRN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000010692599 555733542 /nfs/dbraw/zinc/73/35/42/555733542.db2.gz BXENDAMMBJQWIT-UHFFFAOYSA-N 0 0 473.447 4.896 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020239416 555733648 /nfs/dbraw/zinc/73/36/48/555733648.db2.gz PJWNRBNEFQQUCX-UHFFFAOYSA-N 0 0 481.376 4.953 40 0 JJABRN O=C(Nc1cccc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693128 555733769 /nfs/dbraw/zinc/73/37/69/555733769.db2.gz GYMWUVHLVNULOA-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000020245239 555741234 /nfs/dbraw/zinc/74/12/34/555741234.db2.gz MDXFMIYHRALDLF-UHFFFAOYSA-N 0 0 485.625 4.545 40 0 JJABRN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000020248926 555743077 /nfs/dbraw/zinc/74/30/77/555743077.db2.gz WGTUIGBOAWKAHM-HSZRJFAPSA-N 0 0 494.016 4.922 40 0 JJABRN CCC[C@@H](NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(C)C)c1ccccc1 ZINC000011023296 555753970 /nfs/dbraw/zinc/75/39/70/555753970.db2.gz BKCMLHKUIUNCLJ-OAQYLSRUSA-N 0 0 477.634 4.840 40 0 JJABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000011117426 555760447 /nfs/dbraw/zinc/76/04/47/555760447.db2.gz LBHWQGQVBFHAAS-UXHICEINSA-N 0 0 458.381 4.965 40 0 JJABRN CCc1cc(I)ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000014271115 555764933 /nfs/dbraw/zinc/76/49/33/555764933.db2.gz ZQYYCHGRBXDONS-UHFFFAOYSA-N 0 0 458.752 4.563 40 0 JJABRN CCOc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc(OCC)c1OCC ZINC000014271329 555765844 /nfs/dbraw/zinc/76/58/44/555765844.db2.gz KOEASABKEHJADP-UHFFFAOYSA-N 0 0 457.596 4.610 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000014271359 555766056 /nfs/dbraw/zinc/76/60/56/555766056.db2.gz NGEQHKLMLXEZNW-UHFFFAOYSA-N 0 0 473.348 4.509 40 0 JJABRN O=C(c1cc(Br)ccc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014271935 555768267 /nfs/dbraw/zinc/76/82/67/555768267.db2.gz XFMSXBTXTKTBCQ-UHFFFAOYSA-N 0 0 469.635 4.760 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(C)c1 ZINC000014273599 555773883 /nfs/dbraw/zinc/77/38/83/555773883.db2.gz TUIKINLROFMDQM-UHFFFAOYSA-N 0 0 467.953 4.530 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)c3C)nn12 ZINC000014273813 555774830 /nfs/dbraw/zinc/77/48/30/555774830.db2.gz ZBDJWSXZHAGRQD-UHFFFAOYSA-N 0 0 477.402 4.903 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)c(C)c3)nn12 ZINC000014273930 555775135 /nfs/dbraw/zinc/77/51/35/555775135.db2.gz RMCVTWYUCNORKH-UHFFFAOYSA-N 0 0 480.619 4.638 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1C ZINC000014273983 555775374 /nfs/dbraw/zinc/77/53/74/555775374.db2.gz PWXJURGCTRVOGJ-UHFFFAOYSA-N 0 0 488.598 4.758 40 0 JJABRN O=C(NC(=S)Nc1ccccc1I)c1ccc(OCc2ccccc2)cc1 ZINC000014274191 555775986 /nfs/dbraw/zinc/77/59/86/555775986.db2.gz JTDLRYHVYMMIAC-UHFFFAOYSA-N 0 0 488.350 4.997 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(F)cc1F ZINC000014274315 555776172 /nfs/dbraw/zinc/77/61/72/555776172.db2.gz QGZURSQSGCOIEK-UHFFFAOYSA-N 0 0 480.128 4.625 40 0 JJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020331377 555776599 /nfs/dbraw/zinc/77/65/99/555776599.db2.gz RFWIMQAOGZVFTN-HSZRJFAPSA-N 0 0 452.576 4.811 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000014277218 555785409 /nfs/dbraw/zinc/78/54/09/555785409.db2.gz YYQDBGHNPIKZPP-UHFFFAOYSA-N 0 0 479.049 4.737 40 0 JJABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 ZINC000020411119 555788463 /nfs/dbraw/zinc/78/84/63/555788463.db2.gz MCROZBCYJHAQRK-UHFFFAOYSA-N 0 0 450.545 4.831 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)CC2)c1 ZINC000020411659 555789231 /nfs/dbraw/zinc/78/92/31/555789231.db2.gz QJIHWDWDUDDPSU-UHFFFAOYSA-N 0 0 493.991 4.501 40 0 JJABRN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(Br)c3)sc2c1 ZINC000020411870 555789596 /nfs/dbraw/zinc/78/95/96/555789596.db2.gz JVYMFTBEHNOVSZ-UHFFFAOYSA-N 0 0 478.393 4.751 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1OC ZINC000020412060 555789817 /nfs/dbraw/zinc/78/98/17/555789817.db2.gz FWOKDNUQTXIFMB-UHFFFAOYSA-N 0 0 451.479 4.778 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000014291113 555792284 /nfs/dbraw/zinc/79/22/84/555792284.db2.gz MXHCJLUFVJNKNF-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN COc1ccccc1OCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000014291270 555793086 /nfs/dbraw/zinc/79/30/86/555793086.db2.gz NCZVUKTVEVLBLC-UHFFFAOYSA-N 0 0 493.991 4.637 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000020528840 555793213 /nfs/dbraw/zinc/79/32/13/555793213.db2.gz BFILHUDVDXGIRP-UHFFFAOYSA-N 0 0 464.393 4.706 40 0 JJABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000014396213 555801971 /nfs/dbraw/zinc/80/19/71/555801971.db2.gz DHGVWTHRHJFMIL-MRXNPFEDSA-N 0 0 489.391 4.964 40 0 JJABRN COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014397517 555803282 /nfs/dbraw/zinc/80/32/82/555803282.db2.gz SJHPNIGTQQNOSM-UHFFFAOYSA-N 0 0 478.614 4.635 40 0 JJABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014397815 555803647 /nfs/dbraw/zinc/80/36/47/555803647.db2.gz QMJBATBBKQYPGK-IBGZPJMESA-N 0 0 458.624 4.955 40 0 JJABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 ZINC000014399026 555804517 /nfs/dbraw/zinc/80/45/17/555804517.db2.gz YJRDBUHYUYJPKY-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(C)c1Cl ZINC000014399237 555804827 /nfs/dbraw/zinc/80/48/27/555804827.db2.gz FHQDWDSXXATABY-KRWDZBQOSA-N 0 0 450.988 4.537 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000014401037 555806533 /nfs/dbraw/zinc/80/65/33/555806533.db2.gz OUPGQGUMUFTACQ-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000014401437 555806907 /nfs/dbraw/zinc/80/69/07/555806907.db2.gz IJRFJVYIJXBJOR-UHFFFAOYSA-N 0 0 474.966 4.947 40 0 JJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014404890 555807479 /nfs/dbraw/zinc/80/74/79/555807479.db2.gz RWFCXWZVTCYINY-UHFFFAOYSA-N 0 0 460.559 4.851 40 0 JJABRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1C ZINC000014405408 555807986 /nfs/dbraw/zinc/80/79/86/555807986.db2.gz PLTSUXSKVOSFMB-UHFFFAOYSA-N 0 0 480.565 4.830 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000014412243 555811401 /nfs/dbraw/zinc/81/14/01/555811401.db2.gz PMLRQIPJTXOIEE-UHFFFAOYSA-N 0 0 486.977 4.523 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000014413080 555812277 /nfs/dbraw/zinc/81/22/77/555812277.db2.gz VUSXWKMCWFRRRM-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000014413400 555812636 /nfs/dbraw/zinc/81/26/36/555812636.db2.gz NONYYGWSGYMXHT-UHFFFAOYSA-N 0 0 485.709 4.526 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414724 555813552 /nfs/dbraw/zinc/81/35/52/555813552.db2.gz HVKJRYATXFHLIN-UHFFFAOYSA-N 0 0 457.423 4.634 40 0 JJABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc2)cc1 ZINC000014577116 555835318 /nfs/dbraw/zinc/83/53/18/555835318.db2.gz CKNKTXJCVQTBLB-DEOSSOPVSA-N 0 0 469.006 4.952 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000021579701 555852318 /nfs/dbraw/zinc/85/23/18/555852318.db2.gz FCZMSDQTMBWQLU-UHFFFAOYSA-N 0 0 467.928 4.702 40 0 JJABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1F ZINC000021595604 555853306 /nfs/dbraw/zinc/85/33/06/555853306.db2.gz DTPDSNQODYWGJK-UHFFFAOYSA-N 0 0 478.099 4.989 40 0 JJABRN CCCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OCC ZINC000015008978 555853383 /nfs/dbraw/zinc/85/33/83/555853383.db2.gz LMLCTCANFSGHEY-KGENOOAVSA-N 0 0 454.548 4.858 40 0 JJABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2s1 ZINC000021595834 555853853 /nfs/dbraw/zinc/85/38/53/555853853.db2.gz NFGQXYBZAKNLCY-UHFFFAOYSA-N 0 0 463.382 4.534 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1 ZINC000021595875 555854266 /nfs/dbraw/zinc/85/42/66/555854266.db2.gz LUWKNJQBYBAYSO-UHFFFAOYSA-N 0 0 488.426 4.550 40 0 JJABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000021954896 555857500 /nfs/dbraw/zinc/85/75/00/555857500.db2.gz JYAYPNWDBWKPKY-UHFFFAOYSA-N 0 0 482.612 4.884 40 0 JJABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1C ZINC000021965908 555858254 /nfs/dbraw/zinc/85/82/54/555858254.db2.gz CZEWUETZKDKKHE-CQSZACIVSA-N 0 0 468.859 4.510 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000021975477 555858567 /nfs/dbraw/zinc/85/85/67/555858567.db2.gz QDVRFSASCDJSHD-QGZVFWFLSA-N 0 0 460.962 4.956 40 0 JJABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000022109733 555876481 /nfs/dbraw/zinc/87/64/81/555876481.db2.gz RNAUDUXEWWMUIS-UHFFFAOYSA-N 0 0 463.401 4.987 40 0 JJABRN CN(c1ccccc1O)S(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1Cl ZINC000015109621 555878573 /nfs/dbraw/zinc/87/85/73/555878573.db2.gz WZYBKSNJIFVKEE-UHFFFAOYSA-N 0 0 451.331 4.776 40 0 JJABRN CCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000022111736 555878882 /nfs/dbraw/zinc/87/88/82/555878882.db2.gz RHPDXUNXXXPGOH-UHFFFAOYSA-N 0 0 464.339 4.575 40 0 JJABRN CCn1nnnc1NCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000022111881 555878953 /nfs/dbraw/zinc/87/89/53/555878953.db2.gz YKUDYRBQNDQAAP-UHFFFAOYSA-N 0 0 487.185 4.962 40 0 JJABRN CCOc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022112102 555879132 /nfs/dbraw/zinc/87/91/32/555879132.db2.gz NLOAGAGZRMTZQL-UHFFFAOYSA-N 0 0 487.185 4.869 40 0 JJABRN C[C@H](/C=C1/C(=O)N(C)[C@H](C[C@@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000015148547 555880635 /nfs/dbraw/zinc/88/06/35/555880635.db2.gz XJCMCNILUZGERI-KUZJILMGSA-N 0 0 459.028 4.572 40 0 JJABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000012017266 555884921 /nfs/dbraw/zinc/88/49/21/555884921.db2.gz FWQFECJWKWTCSZ-FKBYEOEOSA-N 0 0 476.554 4.511 40 0 JJABRN C[C@@H](OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)c1ccccc1 ZINC000015222113 555885482 /nfs/dbraw/zinc/88/54/82/555885482.db2.gz RPSAGYPFQSRDOI-KOSHJBKYSA-N 0 0 456.498 4.682 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000022229859 555888678 /nfs/dbraw/zinc/88/86/78/555888678.db2.gz QEHDXQDOOZAEAW-KRWDZBQOSA-N 0 0 477.797 4.756 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231095 555889463 /nfs/dbraw/zinc/88/94/63/555889463.db2.gz LHJYJSVEARMXFJ-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022231600 555890286 /nfs/dbraw/zinc/89/02/86/555890286.db2.gz NGHMZBFJJFDPCZ-UHFFFAOYSA-N 0 0 452.576 4.541 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022231952 555891151 /nfs/dbraw/zinc/89/11/51/555891151.db2.gz OTRDNPCIPNUODW-FQEVSTJZSA-N 0 0 498.670 4.939 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000022232138 555891455 /nfs/dbraw/zinc/89/14/55/555891455.db2.gz ZMZMZRHKXHKCFH-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000022232393 555891671 /nfs/dbraw/zinc/89/16/71/555891671.db2.gz VJQPXPSBXLHAAY-RUZDIDTESA-N 0 0 499.032 4.879 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000022232414 555891698 /nfs/dbraw/zinc/89/16/98/555891698.db2.gz MGAKDOAUZQYIEX-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN Cc1ccc(C)c(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000022233037 555892752 /nfs/dbraw/zinc/89/27/52/555892752.db2.gz KXARTROGUQIDAK-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233162 555893080 /nfs/dbraw/zinc/89/30/80/555893080.db2.gz MAVPGCZNFJQZSM-UHFFFAOYSA-N 0 0 488.993 4.641 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000022233055 555893083 /nfs/dbraw/zinc/89/30/83/555893083.db2.gz LVHAHGILVDTMNK-UHFFFAOYSA-N 0 0 472.994 4.886 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000022233354 555893390 /nfs/dbraw/zinc/89/33/90/555893390.db2.gz SMWUFVOEJPROKZ-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000022233637 555893911 /nfs/dbraw/zinc/89/39/11/555893911.db2.gz PRDJAHWMCLVXQB-UHFFFAOYSA-N 0 0 474.579 4.531 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000015303744 555893950 /nfs/dbraw/zinc/89/39/50/555893950.db2.gz ZZKREAMLLBDJOP-UHFFFAOYSA-N 0 0 482.345 4.863 40 0 JJABRN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000015320978 555898177 /nfs/dbraw/zinc/89/81/77/555898177.db2.gz ZCXUGULPWNUBLU-SJKOYZFVSA-N 0 0 467.743 4.667 40 0 JJABRN O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015351069 555900024 /nfs/dbraw/zinc/90/00/24/555900024.db2.gz HMNPQVDKHHDWDK-UHFFFAOYSA-N 0 0 473.392 4.642 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OC)cc3N(C)S(=O)(=O)CC)ccc21 ZINC000022253034 555901260 /nfs/dbraw/zinc/90/12/60/555901260.db2.gz PBHUMIPFTBBBIQ-UHFFFAOYSA-N 0 0 495.601 4.870 40 0 JJABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022253013 555901331 /nfs/dbraw/zinc/90/13/31/555901331.db2.gz FWNZZQWQBBUYMD-UHFFFAOYSA-N 0 0 470.547 4.534 40 0 JJABRN COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253444 555901796 /nfs/dbraw/zinc/90/17/96/555901796.db2.gz WAQRJPLCBTZRIS-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253484 555901861 /nfs/dbraw/zinc/90/18/61/555901861.db2.gz YOEWDCPOEHUODT-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN CCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022254427 555902880 /nfs/dbraw/zinc/90/28/80/555902880.db2.gz KOYZFIDRLHAAAM-UHFFFAOYSA-N 0 0 486.565 4.624 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 ZINC000015398115 555903790 /nfs/dbraw/zinc/90/37/90/555903790.db2.gz XJHXPIQYJJVAII-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN COc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000022256706 555904746 /nfs/dbraw/zinc/90/47/46/555904746.db2.gz HSRPMAGKPZAMGA-UHFFFAOYSA-N 0 0 477.970 4.541 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000022268374 555907350 /nfs/dbraw/zinc/90/73/50/555907350.db2.gz OXDMDEJTWXVVSU-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000022269455 555908323 /nfs/dbraw/zinc/90/83/23/555908323.db2.gz WUHGNPQRETWXJT-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000022269544 555908357 /nfs/dbraw/zinc/90/83/57/555908357.db2.gz YGLVLHLFAYONMH-OAQYLSRUSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000022269553 555908571 /nfs/dbraw/zinc/90/85/71/555908571.db2.gz YTXISXKPNBIKPO-NRFANRHFSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000022271476 555909289 /nfs/dbraw/zinc/90/92/89/555909289.db2.gz GTBQJHYESXVZRJ-JOCHJYFZSA-N 0 0 493.412 4.920 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000015453094 555909889 /nfs/dbraw/zinc/90/98/89/555909889.db2.gz FILAKRPRNVBQAS-NHCUHLMSSA-N 0 0 493.629 4.588 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022274872 555911855 /nfs/dbraw/zinc/91/18/55/555911855.db2.gz RPKJXYWNJWVMKU-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000022274884 555911865 /nfs/dbraw/zinc/91/18/65/555911865.db2.gz KJHRXXNFYXBUHA-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CC(C)c1ccc(O[C@H](C)C(=O)NC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000012137066 555914162 /nfs/dbraw/zinc/91/41/62/555914162.db2.gz XJTKVCLBNOLLMT-PWRODBHTSA-N 0 0 454.611 4.789 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276938 555914665 /nfs/dbraw/zinc/91/46/65/555914665.db2.gz XNEJEOVGXSMANA-UHFFFAOYSA-N 0 0 490.581 4.999 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cc(Cl)ccc2C)cc1 ZINC000022277587 555915177 /nfs/dbraw/zinc/91/51/77/555915177.db2.gz WYJAKLKZUXKFQR-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN CC[C@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278151 555916054 /nfs/dbraw/zinc/91/60/54/555916054.db2.gz YCXXUVVVWBSCML-AWEZNQCLSA-N 0 0 462.921 4.777 40 0 JJABRN CCN(CC)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278168 555916060 /nfs/dbraw/zinc/91/60/60/555916060.db2.gz IRSLKTDNVSOSRB-UHFFFAOYSA-N 0 0 462.921 4.731 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022281273 555917042 /nfs/dbraw/zinc/91/70/42/555917042.db2.gz KGOBGXCBGFABIH-XMMPIXPASA-N 0 0 466.603 4.775 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022303085 555918823 /nfs/dbraw/zinc/91/88/23/555918823.db2.gz QSEAKNIUXSWXKI-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022306909 555919418 /nfs/dbraw/zinc/91/94/18/555919418.db2.gz GHJOTTIGVRLWFH-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022367913 555926246 /nfs/dbraw/zinc/92/62/46/555926246.db2.gz ANRZGYAFSYBKAT-OAQYLSRUSA-N 0 0 466.603 4.526 40 0 JJABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(I)c1 ZINC000022397348 555928920 /nfs/dbraw/zinc/92/89/20/555928920.db2.gz WKEUAUQCQSZIQE-UHFFFAOYSA-N 0 0 457.358 4.787 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000022524081 555931260 /nfs/dbraw/zinc/93/12/60/555931260.db2.gz SECVPZBSZHBMOZ-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN Cc1nc(NC(=O)c2cc(I)ccc2Cl)ccc1Br ZINC000022531856 555932112 /nfs/dbraw/zinc/93/21/12/555932112.db2.gz IXEJISANEICOAQ-UHFFFAOYSA-N 0 0 451.489 4.663 40 0 JJABRN O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015675150 555933322 /nfs/dbraw/zinc/93/33/22/555933322.db2.gz MUQCYOVQPABXDF-OFNKIYASSA-N 0 0 464.928 4.823 40 0 biogenic,in-vitro JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)CCC)sc3c2)cc1 ZINC000022563339 555934858 /nfs/dbraw/zinc/93/48/58/555934858.db2.gz HNXSGOYADAMAFM-UHFFFAOYSA-N 0 0 456.593 4.951 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000022565612 555935966 /nfs/dbraw/zinc/93/59/66/555935966.db2.gz RCRSOLGPINRXIH-UHFFFAOYSA-N 0 0 458.587 4.916 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C=C4C)cc1 ZINC000022570688 555937131 /nfs/dbraw/zinc/93/71/31/555937131.db2.gz RXRUDFRREZXLEC-SANMLTNESA-N 0 0 462.571 4.647 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(I)c3)cc2s1 ZINC000022574996 555938340 /nfs/dbraw/zinc/93/83/40/555938340.db2.gz XSAQFIGAGRTBRX-UHFFFAOYSA-N 0 0 465.316 4.892 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@@H](C)c4ccc(F)cc4)cc3C[C@H]2C)cc1 ZINC000022606122 555939884 /nfs/dbraw/zinc/93/98/84/555939884.db2.gz DNWFBARZFYNYED-MSOLQXFVSA-N 0 0 452.551 4.765 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000022705256 555942831 /nfs/dbraw/zinc/94/28/31/555942831.db2.gz HKTAAYWMTJNRNO-UHFFFAOYSA-N 0 0 469.335 4.876 40 0 JJABRN COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022707319 555943938 /nfs/dbraw/zinc/94/39/38/555943938.db2.gz QLFOLFAOIAHRRU-UHFFFAOYSA-N 0 0 471.296 4.820 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000022709542 555945401 /nfs/dbraw/zinc/94/54/01/555945401.db2.gz FIGJHMIAEVFADK-UHFFFAOYSA-N 0 0 473.554 4.793 40 0 JJABRN COc1cc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000022739943 555949011 /nfs/dbraw/zinc/94/90/11/555949011.db2.gz BGBKEMMGFMNXMX-UHFFFAOYSA-N 0 0 482.621 4.597 40 0 JJABRN Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C ZINC000022742705 555949859 /nfs/dbraw/zinc/94/98/59/555949859.db2.gz FYXYZDCWCAXCAG-RTBURBONSA-N 0 0 485.367 4.802 40 0 JJABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Br)cc2I)c1 ZINC000022747103 555951454 /nfs/dbraw/zinc/95/14/54/555951454.db2.gz JBLMMGFWMNFLSV-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccccc2Br)cc1 ZINC000022818610 555954964 /nfs/dbraw/zinc/95/49/64/555954964.db2.gz XUACOSNYNQCGQB-UHFFFAOYSA-N 0 0 498.402 4.742 40 0 JJABRN O=C(c1ccc(C2CCCCC2)cc1)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000022861966 555962442 /nfs/dbraw/zinc/96/24/42/555962442.db2.gz QRVZEWYSECPOLM-NSOVKSMOSA-N 0 0 462.634 4.691 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2Cl)CC1 ZINC000016681590 556151195 /nfs/dbraw/zinc/15/11/95/556151195.db2.gz BQMBUSMHUCCNCA-UHFFFAOYSA-N 0 0 453.011 4.762 40 0 JJABRN CC(C)CN(CC(C)C)C(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000016902593 556173553 /nfs/dbraw/zinc/17/35/53/556173553.db2.gz XBSUOVSTYBXYEV-JOCHJYFZSA-N 0 0 478.612 4.832 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013023891 556213546 /nfs/dbraw/zinc/21/35/46/556213546.db2.gz ADROGJUSFWWPEB-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013023909 556213573 /nfs/dbraw/zinc/21/35/73/556213573.db2.gz JLEHNCCWYCQMTE-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024288 556214233 /nfs/dbraw/zinc/21/42/33/556214233.db2.gz FIGZKXKZNYDYIA-SANMLTNESA-N 0 0 487.579 4.958 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cccc(Br)c2)C1=O ZINC000017083389 556215106 /nfs/dbraw/zinc/21/51/06/556215106.db2.gz ALFOOZNEBGYLDY-FQEVSTJZSA-N 0 0 481.184 4.819 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024911 556215166 /nfs/dbraw/zinc/21/51/66/556215166.db2.gz BDZUQOYOVDIRCJ-SANMLTNESA-N 0 0 469.589 4.819 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025600 556216392 /nfs/dbraw/zinc/21/63/92/556216392.db2.gz OCPCZLSKHKIASM-QFIPXVFZSA-N 0 0 451.548 4.746 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1 ZINC000013025880 556217215 /nfs/dbraw/zinc/21/72/15/556217215.db2.gz MHNVPMMXROKUSQ-VWLOTQADSA-N 0 0 460.530 4.938 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)c1OC ZINC000013025973 556217229 /nfs/dbraw/zinc/21/72/29/556217229.db2.gz DTTVSKLLNMOULF-HSZRJFAPSA-N 0 0 466.509 4.883 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)c1OC ZINC000013025981 556217546 /nfs/dbraw/zinc/21/75/46/556217546.db2.gz NYZAHUBVXRAKCH-HSZRJFAPSA-N 0 0 466.509 4.883 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1OC ZINC000013026000 556217550 /nfs/dbraw/zinc/21/75/50/556217550.db2.gz ZGKXMHUUABOIBW-VWLOTQADSA-N 0 0 490.556 4.946 40 0 JJABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc(OC)c1OC ZINC000013026148 556217836 /nfs/dbraw/zinc/21/78/36/556217836.db2.gz SBXMMHQYYXALTK-VWLOTQADSA-N 0 0 492.572 4.748 40 0 JJABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc(OC)c1OC ZINC000013026170 556217860 /nfs/dbraw/zinc/21/78/60/556217860.db2.gz ZTYRFIWMOYKDOE-XMMPIXPASA-N 0 0 496.535 4.891 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000013026312 556218138 /nfs/dbraw/zinc/21/81/38/556218138.db2.gz YXESFGOMKHOVAO-SANMLTNESA-N 0 0 492.572 4.748 40 0 JJABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc(OC)c1OC ZINC000013026273 556218150 /nfs/dbraw/zinc/21/81/50/556218150.db2.gz UFUBDHFCZSXGAJ-DEOSSOPVSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013026306 556218211 /nfs/dbraw/zinc/21/82/11/556218211.db2.gz FLKMIXDBFQOXMZ-AREMUKBSSA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1OC ZINC000013026355 556218461 /nfs/dbraw/zinc/21/84/61/556218461.db2.gz YJEMEXHJOKYSAE-DEOSSOPVSA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1OC ZINC000013026402 556218466 /nfs/dbraw/zinc/21/84/66/556218466.db2.gz SAFFXFPIJPGXEZ-AREMUKBSSA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)cc1OC ZINC000013026398 556218483 /nfs/dbraw/zinc/21/84/83/556218483.db2.gz RWDNDSVVXMINLA-AREMUKBSSA-N 0 0 490.556 4.946 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013026563 556218953 /nfs/dbraw/zinc/21/89/53/556218953.db2.gz RGZAPCVSHOODMM-XMMPIXPASA-N 0 0 476.529 4.522 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(OC)cc(OC)c2)cc1 ZINC000013026614 556219303 /nfs/dbraw/zinc/21/93/03/556219303.db2.gz NRYVXDOAIJDZHL-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013028744 556222763 /nfs/dbraw/zinc/22/27/63/556222763.db2.gz HNFFXCXYPMVBNX-MHZLTWQESA-N 0 0 485.563 4.794 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013028742 556222781 /nfs/dbraw/zinc/22/27/81/556222781.db2.gz HNFFXCXYPMVBNX-HHHXNRCGSA-N 0 0 485.563 4.794 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013028841 556223100 /nfs/dbraw/zinc/22/31/00/556223100.db2.gz ONEVIHDUNQZIOC-RUZDIDTESA-N 0 0 487.629 4.671 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000013028864 556223125 /nfs/dbraw/zinc/22/31/25/556223125.db2.gz QTYPQWJNKWKNDM-DEOSSOPVSA-N 0 0 475.618 4.744 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000013029017 556223309 /nfs/dbraw/zinc/22/33/09/556223309.db2.gz IZOSXEHWVIKTIK-MHZLTWQESA-N 0 0 499.615 4.692 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028939 556223324 /nfs/dbraw/zinc/22/33/24/556223324.db2.gz SRGLGTAISAXYIU-VWLOTQADSA-N 0 0 489.645 4.740 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013029426 556223622 /nfs/dbraw/zinc/22/36/22/556223622.db2.gz GKOYLFLLCVFKDG-SANMLTNESA-N 0 0 487.629 4.630 40 0 JJABRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013029550 556223849 /nfs/dbraw/zinc/22/38/49/556223849.db2.gz DOQXPVFORNMPNV-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013029468 556223853 /nfs/dbraw/zinc/22/38/53/556223853.db2.gz VQDIBPPQDKKSLV-NDEPHWFRSA-N 0 0 481.600 4.569 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013029577 556223860 /nfs/dbraw/zinc/22/38/60/556223860.db2.gz RNBYKRDWYAISHY-MHZLTWQESA-N 0 0 467.573 4.573 40 0 JJABRN COc1cccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 ZINC000013030456 556225675 /nfs/dbraw/zinc/22/56/75/556225675.db2.gz LRNSLZAYWWMNML-MUUNZHRXSA-N 0 0 499.615 4.685 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1C ZINC000013031480 556227920 /nfs/dbraw/zinc/22/79/20/556227920.db2.gz GUYAYOCCRZEMIM-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013032360 556230867 /nfs/dbraw/zinc/23/08/67/556230867.db2.gz QGCAMDSZZMKWES-SANMLTNESA-N 0 0 485.588 4.525 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCc2ccccc21 ZINC000026110826 556242931 /nfs/dbraw/zinc/24/29/31/556242931.db2.gz MQGJYFMDIQNCEZ-QGZVFWFLSA-N 0 0 467.418 4.515 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCCC1 ZINC000026115807 556246055 /nfs/dbraw/zinc/24/60/55/556246055.db2.gz VRBYCIRCXKESJS-UHFFFAOYSA-N 0 0 458.527 4.854 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(=O)N1CCCCC1 ZINC000026116194 556246399 /nfs/dbraw/zinc/24/63/99/556246399.db2.gz QAMQLOVXYWLLDY-UHFFFAOYSA-N 0 0 478.705 4.555 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000026118705 556247936 /nfs/dbraw/zinc/24/79/36/556247936.db2.gz XRDHVJVNWVYQFK-UHFFFAOYSA-N 0 0 486.703 4.924 40 0 JJABRN COc1ccc(CN(CCN2CCOCC2)C(=O)c2cc3sccc3n2Cc2ccccc2)cc1 ZINC000026416846 556253475 /nfs/dbraw/zinc/25/34/75/556253475.db2.gz INMWOVNJRVTAKG-UHFFFAOYSA-N 0 0 489.641 4.734 40 0 JJABRN Cc1nn(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)c(C)c1Br ZINC000026571226 556257149 /nfs/dbraw/zinc/25/71/49/556257149.db2.gz GONJNJHCNPMZKB-MRXNPFEDSA-N 0 0 454.162 4.618 40 0 JJABRN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)c(OC)c1 ZINC000026770871 556260822 /nfs/dbraw/zinc/26/08/22/556260822.db2.gz IRGQTWWLZIQQSR-RUZDIDTESA-N 0 0 479.646 4.971 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063753 556261187 /nfs/dbraw/zinc/26/11/87/556261187.db2.gz DJZVTTUJIAHGHA-DEOSSOPVSA-N 0 0 460.582 4.614 40 0 JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064419 556261940 /nfs/dbraw/zinc/26/19/40/556261940.db2.gz SPBVZKUJMXXSNO-HSZRJFAPSA-N 0 0 492.624 4.687 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000017862257 556269352 /nfs/dbraw/zinc/26/93/52/556269352.db2.gz KCPNSCLXHOLDPK-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN O=C(Oc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000017918152 556271799 /nfs/dbraw/zinc/27/17/99/556271799.db2.gz OVQNCXQGSUJJPI-QKDODKLFSA-N 0 0 490.515 4.957 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000017959299 556272852 /nfs/dbraw/zinc/27/28/52/556272852.db2.gz NHKQCXVHTLQXLD-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000027095158 556273795 /nfs/dbraw/zinc/27/37/95/556273795.db2.gz IQPSGRUDPXEEQM-MKWGYRPRSA-N 0 0 452.554 4.766 40 0 JJABRN O=c1/c(=C\c2ccc(F)cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000027095268 556273800 /nfs/dbraw/zinc/27/38/00/556273800.db2.gz FFPIZWDWOOVYAJ-XXMKCSCWSA-N 0 0 456.517 4.597 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000027400943 556278069 /nfs/dbraw/zinc/27/80/69/556278069.db2.gz YWBRTMWXTKFBRB-UHFFFAOYSA-N 0 0 451.748 4.602 40 0 JJABRN CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)CC1 ZINC000013083222 556279532 /nfs/dbraw/zinc/27/95/32/556279532.db2.gz FRNYSZZKLCVBLP-UHFFFAOYSA-N 0 0 491.423 4.958 40 0 JJABRN O=C(C1CCCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083635 556280406 /nfs/dbraw/zinc/28/04/06/556280406.db2.gz TVPSKXBLSASZRW-HNNXBMFYSA-N 0 0 489.407 4.568 40 0 JJABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)c(C)c1 ZINC000013084411 556281720 /nfs/dbraw/zinc/28/17/20/556281720.db2.gz NKXNEYJBXMUGPC-JOCHJYFZSA-N 0 0 451.592 4.527 40 0 JJABRN Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc23)cc1 ZINC000013084134 556281751 /nfs/dbraw/zinc/28/17/51/556281751.db2.gz CHNMGTDDOZGGDC-UHFFFAOYSA-N 0 0 471.542 4.500 40 0 JJABRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018069399 556283495 /nfs/dbraw/zinc/28/34/95/556283495.db2.gz CLFLKKAXZPKSEK-SGNDLWITSA-N 0 0 478.932 4.804 40 0 JJABRN Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)C2)c(C)c1 ZINC000013085983 556285223 /nfs/dbraw/zinc/28/52/23/556285223.db2.gz ZCUPINFQEQWZCS-QHCPKHFHSA-N 0 0 468.605 4.804 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccc(C)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000018087409 556285905 /nfs/dbraw/zinc/28/59/05/556285905.db2.gz NYMXESZBJXQADW-VJBWXMMDSA-N 0 0 490.581 4.901 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccc(Br)c3)N(c3ccccc3)O[C@@H]2C1=O ZINC000018114381 556289206 /nfs/dbraw/zinc/28/92/06/556289206.db2.gz ILRRTUNBFQAYMI-VJBWXMMDSA-N 0 0 493.357 4.899 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000018187790 556300408 /nfs/dbraw/zinc/30/04/08/556300408.db2.gz QIFYGGOSVKHCEK-FSSWDIPSSA-N 0 0 497.320 4.648 40 0 JJABRN CC(=O)C[C@@H](NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000027904759 556309578 /nfs/dbraw/zinc/30/95/78/556309578.db2.gz TVIHJZQKEIKYOI-AREMUKBSSA-N 0 0 457.643 4.989 40 0 JJABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21 ZINC000028206706 556317220 /nfs/dbraw/zinc/31/72/20/556317220.db2.gz BDXFZFMLUBHANW-UHFFFAOYSA-N 0 0 468.578 4.957 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000028207719 556318232 /nfs/dbraw/zinc/31/82/32/556318232.db2.gz ONFPOUQICFSARW-UHFFFAOYSA-N 0 0 468.575 4.835 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000028208175 556318538 /nfs/dbraw/zinc/31/85/38/556318538.db2.gz CRFTUBISIOSUGF-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208762 556319137 /nfs/dbraw/zinc/31/91/37/556319137.db2.gz PCLWWWDPVNXUQT-UHFFFAOYSA-N 0 0 464.587 4.798 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000028209629 556320814 /nfs/dbraw/zinc/32/08/14/556320814.db2.gz JGJPXHZDCVAEGZ-OAQYLSRUSA-N 0 0 484.961 4.759 40 0 JJABRN Cc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@H]21 ZINC000028295026 556330239 /nfs/dbraw/zinc/33/02/39/556330239.db2.gz SEENHHPRYAMRRW-RYQGLZBHSA-N 0 0 492.597 4.562 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1noc(Cc3ccccc3)n1)CCCC2 ZINC000028527172 556334478 /nfs/dbraw/zinc/33/44/78/556334478.db2.gz VWPDTMNHSYVUEM-UHFFFAOYSA-N 0 0 457.577 4.508 40 0 JJABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000028534703 556334895 /nfs/dbraw/zinc/33/48/95/556334895.db2.gz CJXMIQNRKUTJTC-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029490688 556352586 /nfs/dbraw/zinc/35/25/86/556352586.db2.gz KORDOQGFQSCRFN-UHFFFAOYSA-N 0 0 467.525 4.695 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000030753412 556371843 /nfs/dbraw/zinc/37/18/43/556371843.db2.gz WWOALYMFEJLHKN-QFIPXVFZSA-N 0 0 499.460 4.811 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030753586 556372211 /nfs/dbraw/zinc/37/22/11/556372211.db2.gz LDBNHEFOZKIGBN-NSOVKSMOSA-N 0 0 498.604 4.857 40 0 JJABRN CN(C(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)C1CCCC1 ZINC000030754083 556372239 /nfs/dbraw/zinc/37/22/39/556372239.db2.gz ABVCRARWRHNIFM-UHFFFAOYSA-N 0 0 455.407 4.974 40 0 JJABRN Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030754468 556372425 /nfs/dbraw/zinc/37/24/25/556372425.db2.gz DRUCRAWTIRQHER-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000030835532 556375456 /nfs/dbraw/zinc/37/54/56/556375456.db2.gz NLYKCIYZDBDPTG-SFHVURJKSA-N 0 0 460.615 4.542 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000030849381 556376699 /nfs/dbraw/zinc/37/66/99/556376699.db2.gz QCXDJSXUZSHQGC-NRFANRHFSA-N 0 0 467.031 4.798 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c(Cl)c1 ZINC000030849829 556376796 /nfs/dbraw/zinc/37/67/96/556376796.db2.gz JADSMFRNHOENJF-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000030849719 556376890 /nfs/dbraw/zinc/37/68/90/556376890.db2.gz MBLFLOCKLUXHKJ-UHFFFAOYSA-N 0 0 463.386 4.847 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2Cl)cc1 ZINC000030850476 556377283 /nfs/dbraw/zinc/37/72/83/556377283.db2.gz GNXKOBRTHIIVQK-UHFFFAOYSA-N 0 0 498.004 4.938 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000030850422 556377295 /nfs/dbraw/zinc/37/72/95/556377295.db2.gz POOVZCXTJGRUCK-VQIMIIECSA-N 0 0 469.434 4.721 40 0 JJABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000030850784 556377327 /nfs/dbraw/zinc/37/73/27/556377327.db2.gz HIEITLWPMQELKP-HSZRJFAPSA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000030855252 556379735 /nfs/dbraw/zinc/37/97/35/556379735.db2.gz VOTPQELBCWAXMT-OAQYLSRUSA-N 0 0 469.434 4.803 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000030861416 556381941 /nfs/dbraw/zinc/38/19/41/556381941.db2.gz AZNMWZVFHUPFTP-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)cc1OC ZINC000019816501 556383115 /nfs/dbraw/zinc/38/31/15/556383115.db2.gz CLDFIKFLUJIFHI-INIZCTEOSA-N 0 0 480.977 5.000 40 0 JJABRN COc1cc([C@H]2CC(=O)c3cn4nc(SCc5ccc(C)cc5)nc4nc3C2)cc(OC)c1OC ZINC000019816693 556383397 /nfs/dbraw/zinc/38/33/97/556383397.db2.gz JYRLRQCBMYQVHC-QGZVFWFLSA-N 0 0 490.585 4.664 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000030866356 556383500 /nfs/dbraw/zinc/38/35/00/556383500.db2.gz UYDJNNLMLKQPLL-LJQANCHMSA-N 0 0 452.576 4.994 40 0 JJABRN CN(c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030867430 556383674 /nfs/dbraw/zinc/38/36/74/556383674.db2.gz JVQYWLVCDFASBY-HSZRJFAPSA-N 0 0 454.979 4.973 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000030872617 556385663 /nfs/dbraw/zinc/38/56/63/556385663.db2.gz HGVJMACUELNBHP-AREMUKBSSA-N 0 0 462.615 4.830 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000030873835 556386065 /nfs/dbraw/zinc/38/60/65/556386065.db2.gz QIGAGADEHGNHOF-UHFFFAOYSA-N 0 0 487.021 4.901 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 ZINC000019820142 556389058 /nfs/dbraw/zinc/38/90/58/556389058.db2.gz UMYVUBSLFBPDFP-JWQCQUIFSA-N 0 0 469.541 4.751 40 0 JJABRN Cc1nn2c(nnc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1ccc(Br)cc1 ZINC000030955068 556389643 /nfs/dbraw/zinc/38/96/43/556389643.db2.gz QGSDOAGDBMFUGU-UHFFFAOYSA-N 0 0 466.726 4.820 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000019820414 556389697 /nfs/dbraw/zinc/38/96/97/556389697.db2.gz MIIFSIGFPGMIFK-JWQCQUIFSA-N 0 0 453.542 4.969 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000019820585 556390267 /nfs/dbraw/zinc/39/02/67/556390267.db2.gz RHJBWONZJHKWGP-LOSJGSFVSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000019820680 556390488 /nfs/dbraw/zinc/39/04/88/556390488.db2.gz JLBHZDYBELTTEQ-DNQXCXABSA-N 0 0 457.505 4.533 40 0 JJABRN COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C1=CC=COC1 ZINC000031830027 556408565 /nfs/dbraw/zinc/40/85/65/556408565.db2.gz RPXRXMIVUUNFOA-UHFFFAOYSA-N 0 0 487.556 4.519 40 0 JJABRN O=C(c1ccccc1Br)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101268 556416624 /nfs/dbraw/zinc/41/66/24/556416624.db2.gz DPFHZKAXWLLHDT-MRXNPFEDSA-N 0 0 492.089 4.713 40 0 JJABRN O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000032101267 556416741 /nfs/dbraw/zinc/41/67/41/556416741.db2.gz QHYMDHAELZEMSA-INIZCTEOSA-N 0 0 492.089 4.713 40 0 JJABRN Cc1cc(C)c(OCC(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)c(C)c1 ZINC000032101468 556417031 /nfs/dbraw/zinc/41/70/31/556417031.db2.gz VVBHAEZKWSECGN-FQEVSTJZSA-N 0 0 485.300 4.641 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1OC ZINC000032115195 556422193 /nfs/dbraw/zinc/42/21/93/556422193.db2.gz YJOFJUFXLKXFEV-UHFFFAOYSA-N 0 0 494.411 4.722 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 ZINC000032124713 556427695 /nfs/dbraw/zinc/42/76/95/556427695.db2.gz KOQLFEKCFPTCIF-UHFFFAOYSA-N 0 0 474.513 4.691 40 0 JJABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 ZINC000032126763 556430941 /nfs/dbraw/zinc/43/09/41/556430941.db2.gz XYHKYGVVNPUZOW-UHFFFAOYSA-N 0 0 454.621 4.557 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 ZINC000032127749 556432265 /nfs/dbraw/zinc/43/22/65/556432265.db2.gz QIYSWANEVUWWIK-UHFFFAOYSA-N 0 0 450.366 4.559 40 0 JJABRN O=C(CCn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@@H]21)Nc1ccc(Cl)cc1 ZINC000032597802 556449364 /nfs/dbraw/zinc/44/93/64/556449364.db2.gz GZAGMJIQRQHBND-YJYMSZOUSA-N 0 0 458.992 4.838 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032640498 556462899 /nfs/dbraw/zinc/46/28/99/556462899.db2.gz XCECXIJMPAWQQL-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000032640802 556463713 /nfs/dbraw/zinc/46/37/13/556463713.db2.gz UOVXSYIWJICRRT-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640807 556463727 /nfs/dbraw/zinc/46/37/27/556463727.db2.gz QVPYHDOGWSVCCM-IEBWSBKVSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640811 556463733 /nfs/dbraw/zinc/46/37/33/556463733.db2.gz LJKBDBKIKOHRIV-NVXWUHKLSA-N 0 0 463.358 4.547 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640825 556463973 /nfs/dbraw/zinc/46/39/73/556463973.db2.gz OUKRRKPJXBYWST-PKOBYXMFSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(Cl)c1)N2c1cc(Cl)cc(Cl)c1 ZINC000032640993 556464803 /nfs/dbraw/zinc/46/48/03/556464803.db2.gz XJQSGDPFBZUPED-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032640994 556464962 /nfs/dbraw/zinc/46/49/62/556464962.db2.gz XJQSGDPFBZUPED-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)cc(Cl)c2)cc1C ZINC000032641116 556465183 /nfs/dbraw/zinc/46/51/83/556465183.db2.gz GWNVDKMBIXFKMI-RBUKOAKNSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1cc(C)cc(-n2c3nnc(SCC(=O)N[C@H](C)c4ccccc4C)n3c3ccccc3c2=O)c1 ZINC000032957387 556570382 /nfs/dbraw/zinc/57/03/82/556570382.db2.gz MBCIIEOGBJNBGL-HXUWFJFHSA-N 0 0 497.624 4.928 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2cc(C)cc(C)c2)c1 ZINC000032957392 556570417 /nfs/dbraw/zinc/57/04/17/556570417.db2.gz DGNNBMQQUGVTFD-UHFFFAOYSA-N 0 0 483.597 4.998 40 0 JJABRN CN(Cc1nc(C2(O)CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1)Cc1cccnc1 ZINC000225476085 560043080 /nfs/dbraw/zinc/04/30/80/560043080.db2.gz BVWZDSXBJXOWSR-UHFFFAOYSA-N 0 0 476.568 4.673 40 0 biogenic,in-vitro JJABRN CC1=C[C@@H](CN(C(=O)C2CC2)C(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000077261696 560046694 /nfs/dbraw/zinc/04/66/94/560046694.db2.gz ZWKOFZKEGPKOJA-VABKMULXSA-N 0 0 462.594 4.704 40 0 biogenic,in-vitro JJABRN COc1ccc(CNC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)CC[C@H](NC(=O)c4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000067898889 560049615 /nfs/dbraw/zinc/04/96/15/560049615.db2.gz QFRVMIFFUXYTPB-OGAHGUBHSA-N 0 0 492.660 4.569 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111824 560061019 /nfs/dbraw/zinc/06/10/19/560061019.db2.gz UMXLBEFUICARPS-UNMCSNQZSA-N 0 0 469.463 4.549 40 0 biogenic,in-vitro JJABRN COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cccnc4)C=C3C)nc2c1 ZINC000072320991 560077664 /nfs/dbraw/zinc/07/76/64/560077664.db2.gz BQOTZPJQHDUDSE-FKBYEOEOSA-N 0 0 460.578 4.572 40 0 biogenic,in-vitro JJABRN CC(=O)Nc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NC3CCCC3)C[C@H]2C(C)C)cc1 ZINC000035442605 560079696 /nfs/dbraw/zinc/07/96/96/560079696.db2.gz WLUZQTABXXWRJO-HWBMXIPRSA-N 0 0 453.627 4.678 40 0 biogenic,in-vitro JJABRN CC(=O)c1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)c1 ZINC000008635933 560106836 /nfs/dbraw/zinc/10/68/36/560106836.db2.gz VNPRPSZAIQIUCD-NNWRFLSQSA-N 0 0 475.618 4.716 40 0 biogenic,in-vitro JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582651 562939799 /nfs/dbraw/zinc/93/97/99/562939799.db2.gz DRRVAPPLSGUWQJ-AREMUKBSSA-N 0 0 482.588 4.660 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccnc1 ZINC000008582949 562940054 /nfs/dbraw/zinc/94/00/54/562940054.db2.gz IZQUHYRUCKRFQC-RUZDIDTESA-N 0 0 497.603 4.748 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008586279 562940887 /nfs/dbraw/zinc/94/08/87/562940887.db2.gz BJKYFJWHBSKCIJ-VWLOTQADSA-N 0 0 482.588 4.812 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000008672639 562949945 /nfs/dbraw/zinc/94/99/45/562949945.db2.gz MCVAKWGRUPQAOJ-URXFXBBRSA-N 0 0 490.608 4.662 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000008680658 562950997 /nfs/dbraw/zinc/95/09/97/562950997.db2.gz POZPNDPDKFMYES-VWLOTQADSA-N 0 0 494.617 4.592 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)c1 ZINC000008680623 562951012 /nfs/dbraw/zinc/95/10/12/562951012.db2.gz QRENCAAJMFBRCQ-RUZDIDTESA-N 0 0 462.546 4.739 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)no1 ZINC000008680636 562951052 /nfs/dbraw/zinc/95/10/52/562951052.db2.gz FCGUGAFYRLKCKD-AREMUKBSSA-N 0 0 492.576 4.514 40 0 JJABRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000008691726 569592963 /nfs/dbraw/zinc/59/29/63/569592963.db2.gz LOMUUFFBUPDDFP-JLRUASKGSA-N 0 0 457.954 4.687 40 0 JJABRN O=S(=O)(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)c1ccc(Br)cc1 ZINC000057291981 569595838 /nfs/dbraw/zinc/59/58/38/569595838.db2.gz VGVICJPFZROBGY-ATJXCDBQSA-N 0 0 472.389 4.653 40 0 JJABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000057313118 569596482 /nfs/dbraw/zinc/59/64/82/569596482.db2.gz UJJFJTOIIUSPAT-UHFFFAOYSA-N 0 0 484.368 4.578 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc2nsnc2c1 ZINC000057313723 569596740 /nfs/dbraw/zinc/59/67/40/569596740.db2.gz OAUVYZZABVQJRF-UHFFFAOYSA-N 0 0 477.977 4.559 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)c(Cl)c2)c(OC)c1 ZINC000057316016 569597394 /nfs/dbraw/zinc/59/73/94/569597394.db2.gz MGPTXAWIALZEKG-UHFFFAOYSA-N 0 0 493.991 4.880 40 0 JJABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(Cl)c1N1CCOCC1 ZINC000057316144 569597482 /nfs/dbraw/zinc/59/74/82/569597482.db2.gz PLJKNSPBMNZZCR-ZRDIBKRKSA-N 0 0 467.978 4.963 40 0 JJABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 ZINC000057316392 569597799 /nfs/dbraw/zinc/59/77/99/569597799.db2.gz UESVBSUYENYCTK-UHFFFAOYSA-N 0 0 496.677 4.543 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057316575 569597914 /nfs/dbraw/zinc/59/79/14/569597914.db2.gz LUEBVRBKPMOLQV-UHFFFAOYSA-N 0 0 475.364 4.531 40 0 JJABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316864 569598159 /nfs/dbraw/zinc/59/81/59/569598159.db2.gz PFITWGBWKZUXPE-FQEVSTJZSA-N 0 0 451.611 4.912 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)CC2)cc1 ZINC000057317216 569598477 /nfs/dbraw/zinc/59/84/77/569598477.db2.gz GUHLAZHOYSLLGR-UHFFFAOYSA-N 0 0 473.573 4.697 40 0 JJABRN O=C(c1cccc(Br)c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317293 569598546 /nfs/dbraw/zinc/59/85/46/569598546.db2.gz QRBYHJBMMVDOOZ-UHFFFAOYSA-N 0 0 451.645 4.621 40 0 JJABRN CC(C)COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000057327901 569598844 /nfs/dbraw/zinc/59/88/44/569598844.db2.gz IGWWAMPMDMSMDM-UHFFFAOYSA-N 0 0 460.559 4.729 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333615 569598928 /nfs/dbraw/zinc/59/89/28/569598928.db2.gz GEYZPRFPZOPQMR-DHZHZOJOSA-N 0 0 464.319 4.991 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccccc2Br)cc(C)c1I ZINC000059294246 569602436 /nfs/dbraw/zinc/60/24/36/569602436.db2.gz KXCIQNVHTWLEJX-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c(OC)c1 ZINC000059294172 569602485 /nfs/dbraw/zinc/60/24/85/569602485.db2.gz XCMFIKQKXPIFCV-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000059472024 569604437 /nfs/dbraw/zinc/60/44/37/569604437.db2.gz HJULSUIIGNRSGE-UHFFFAOYSA-N 0 0 487.021 4.677 40 0 JJABRN Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059475292 569604765 /nfs/dbraw/zinc/60/47/65/569604765.db2.gz YKPIWJPLUVZPJE-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN Cc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059475294 569604814 /nfs/dbraw/zinc/60/48/14/569604814.db2.gz CDIJKQXXWYPMEN-UHFFFAOYSA-N 0 0 452.620 4.584 40 0 JJABRN O=C(OCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)c1ccc(Cl)cc1 ZINC000059488039 569605373 /nfs/dbraw/zinc/60/53/73/569605373.db2.gz MPSNZIIULIVAKB-UHFFFAOYSA-N 0 0 454.935 4.543 40 0 JJABRN COc1ccc(C(=O)Oc2cc(C)c(NC3=NS(=O)(=O)c4ccccc43)cc2C(C)C)cc1 ZINC000059488047 569605466 /nfs/dbraw/zinc/60/54/66/569605466.db2.gz VJIUMIFKVIRCCY-UHFFFAOYSA-N 0 0 464.543 4.907 40 0 JJABRN CCOC(=O)C1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000059489098 569605654 /nfs/dbraw/zinc/60/56/54/569605654.db2.gz LDAWHCHYKAHTCT-VWLOTQADSA-N 0 0 493.357 4.726 40 0 JJABRN Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(I)cc2)cc1 ZINC000059502188 569606259 /nfs/dbraw/zinc/60/62/59/569606259.db2.gz XLLZZHYLYPZXED-UHFFFAOYSA-N 0 0 496.304 4.500 40 0 JJABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1cccs1 ZINC000059534599 569606627 /nfs/dbraw/zinc/60/66/27/569606627.db2.gz IQLBORAPRHXAOK-ABHHUGLRSA-N 0 0 498.629 4.662 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000059677803 569607376 /nfs/dbraw/zinc/60/73/76/569607376.db2.gz PLNGBRVQEMYISU-OTGJMIOASA-N 0 0 472.610 4.587 40 0 JJABRN CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000059942118 569608138 /nfs/dbraw/zinc/60/81/38/569608138.db2.gz OYBRUIQENNCBFU-UHFFFAOYSA-N 0 0 477.413 4.843 40 0 JJABRN CCCn1c2nnc(SCc3cccc(C)c3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000032986135 569608746 /nfs/dbraw/zinc/60/87/46/569608746.db2.gz DCMZKBMXSGQREU-UHFFFAOYSA-N 0 0 475.618 4.727 40 0 JJABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCc3cccc(F)c3)nnc1n(CC(C)C)c2=O ZINC000032986310 569608778 /nfs/dbraw/zinc/60/87/78/569608778.db2.gz LWHCFYNDXYPQSI-INIZCTEOSA-N 0 0 481.597 4.660 40 0 JJABRN CCCn1c2nnc(SCc3ccc(Cl)cc3)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032986158 569608800 /nfs/dbraw/zinc/60/88/00/569608800.db2.gz NFCMATQCFWPHKR-UHFFFAOYSA-N 0 0 484.025 4.786 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2ccccc2I)C1=O)Nc1cccc(Cl)c1 ZINC000033699493 569631057 /nfs/dbraw/zinc/63/10/57/569631057.db2.gz WSYQZCXTUZVJHR-NVNXTCNLSA-N 0 0 498.729 4.620 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OC)c(Br)c3)C2=O)o1 ZINC000033390649 569625646 /nfs/dbraw/zinc/62/56/46/569625646.db2.gz HJSJKLCLCVUGCS-VGOFMYFVSA-N 0 0 486.727 4.727 40 0 JJABRN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000033401760 569625949 /nfs/dbraw/zinc/62/59/49/569625949.db2.gz AHWGVEUPDHHMOS-GOSISDBHSA-N 0 0 473.392 4.642 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(Cl)cc2)cc1OC ZINC000033407242 569625965 /nfs/dbraw/zinc/62/59/65/569625965.db2.gz WNIFMCDWMHCRBK-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccccc1Cl ZINC000033429405 569626266 /nfs/dbraw/zinc/62/62/66/569626266.db2.gz ZWTYKZJSEDUBMO-UHFFFAOYSA-N 0 0 451.331 4.812 40 0 JJABRN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)NC(=S)N(C)C4=O)c3C)cc2)cc1 ZINC000033457682 569626481 /nfs/dbraw/zinc/62/64/81/569626481.db2.gz HRUQXUBMVZXXBK-HMAPJEAMSA-N 0 0 461.543 4.992 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)C2=O)o1 ZINC000033530242 569627395 /nfs/dbraw/zinc/62/73/95/569627395.db2.gz GNVYSSPITJSSFX-RGVLZGJSSA-N 0 0 481.482 4.658 40 0 JJABRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(C)c1 ZINC000033529450 569627459 /nfs/dbraw/zinc/62/74/59/569627459.db2.gz JAOGEAJKTBFLIW-IWIPYMOSSA-N 0 0 471.582 4.715 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000033608202 569628685 /nfs/dbraw/zinc/62/86/85/569628685.db2.gz BAMFCVYIGHSZLD-PXRHCINRSA-N 0 0 451.430 4.667 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033621060 569628984 /nfs/dbraw/zinc/62/89/84/569628984.db2.gz WYKUSUZLHVZQFH-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000033636285 569629327 /nfs/dbraw/zinc/62/93/27/569629327.db2.gz COMPPKRDBNXULA-UHFFFAOYSA-N 0 0 479.945 4.666 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)Cc1ccccc1 ZINC000033649090 569629538 /nfs/dbraw/zinc/62/95/38/569629538.db2.gz RIVCGJLWQDJPIH-UHFFFAOYSA-N 0 0 474.582 4.986 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000033653864 569629778 /nfs/dbraw/zinc/62/97/78/569629778.db2.gz RDGIJAXSXKZZNG-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000033658309 569629875 /nfs/dbraw/zinc/62/98/75/569629875.db2.gz JYKFVZJANAHHSV-UHFFFAOYSA-N 0 0 468.579 4.518 40 0 JJABRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033680387 569630692 /nfs/dbraw/zinc/63/06/92/569630692.db2.gz HXMQXFFBIFSMOO-QGZVFWFLSA-N 0 0 469.586 4.584 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c(C)c1 ZINC000033684215 569630715 /nfs/dbraw/zinc/63/07/15/569630715.db2.gz BRPIPJZYTBNXPL-OAQYLSRUSA-N 0 0 486.041 4.943 40 0 JJABRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000033687522 569630758 /nfs/dbraw/zinc/63/07/58/569630758.db2.gz XBCRQOOMBOYRIJ-ZRDIBKRKSA-N 0 0 496.036 4.795 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000033698044 569631037 /nfs/dbraw/zinc/63/10/37/569631037.db2.gz UTIVIYVDLQKWPT-UHFFFAOYSA-N 0 0 499.402 4.525 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000033713379 569631464 /nfs/dbraw/zinc/63/14/64/569631464.db2.gz BHPFLZHNMXMUPX-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4ccccc43)cc2)cc1OC ZINC000033738040 569632889 /nfs/dbraw/zinc/63/28/89/569632889.db2.gz JAFVWASIMKKQCF-UHFFFAOYSA-N 0 0 476.554 4.934 40 0 JJABRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2ccccc21 ZINC000033741817 569633069 /nfs/dbraw/zinc/63/30/69/569633069.db2.gz PYMXYFVQARPKKF-OYKKKHCWSA-N 0 0 484.581 4.610 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 ZINC000033740589 569633122 /nfs/dbraw/zinc/63/31/22/569633122.db2.gz LIBKZPVNZLOCBC-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2Cl)n1C ZINC000033752292 569633694 /nfs/dbraw/zinc/63/36/94/569633694.db2.gz VYTJGJBEXSTFSL-ZDUSSCGKSA-N 0 0 478.405 4.652 40 0 JJABRN CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033784616 569634872 /nfs/dbraw/zinc/63/48/72/569634872.db2.gz ZQOWFLNOTZJQBL-QFIPXVFZSA-N 0 0 495.649 4.781 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000033795393 569635369 /nfs/dbraw/zinc/63/53/69/569635369.db2.gz LLUSSKUZFFMDNK-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000033795580 569635382 /nfs/dbraw/zinc/63/53/82/569635382.db2.gz UJARFDDADACSCI-UHFFFAOYSA-N 0 0 496.395 4.713 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(Cc4ccc(C)cc4)c4ccccc34)C2=O)o1 ZINC000033806877 569635427 /nfs/dbraw/zinc/63/54/27/569635427.db2.gz MFRJPFVBXXDLMJ-UCQKPKSFSA-N 0 0 483.524 4.779 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@@H]3C)cc12 ZINC000033936924 569638227 /nfs/dbraw/zinc/63/82/27/569638227.db2.gz NPQWILBOJTVYBK-RBTNQOKQSA-N 0 0 490.611 4.915 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937219 569638603 /nfs/dbraw/zinc/63/86/03/569638603.db2.gz BCAWPQLXFXWMIY-AOYPEHQESA-N 0 0 492.668 4.961 40 0 JJABRN Cc1cccc2cc(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000033937322 569638929 /nfs/dbraw/zinc/63/89/29/569638929.db2.gz RWVCMBZJEHBZEB-ILBGXUMGSA-N 0 0 478.641 4.707 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 ZINC000034720131 569652362 /nfs/dbraw/zinc/65/23/62/569652362.db2.gz ZFYPOYQLMKXMPE-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000034859097 569667702 /nfs/dbraw/zinc/66/77/02/569667702.db2.gz KHLGCOZEIRWGDO-ZDUSSCGKSA-N 0 0 478.405 4.827 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)o1 ZINC000034878384 569668618 /nfs/dbraw/zinc/66/86/18/569668618.db2.gz HUIDCMMFYTWLDZ-ODLFYWEKSA-N 0 0 484.867 4.531 40 0 JJABRN Cc1cccc(Cn2cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c3ccccc32)c1 ZINC000034909717 569671371 /nfs/dbraw/zinc/67/13/71/569671371.db2.gz MJHMZWYZNWFTFP-OEAKJJBVSA-N 0 0 459.571 4.657 40 0 JJABRN CCc1ccc(OCC(=O)N[C@H](NC(=S)Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000035021499 569673935 /nfs/dbraw/zinc/67/39/35/569673935.db2.gz BGKHWDONBSJMKD-GOSISDBHSA-N 0 0 474.841 4.735 40 0 JJABRN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000035058066 569674166 /nfs/dbraw/zinc/67/41/66/569674166.db2.gz SMEFMQUGIWIBGZ-LLVKDONJSA-N 0 0 498.823 4.997 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000035145191 569675816 /nfs/dbraw/zinc/67/58/16/569675816.db2.gz QDRICPGTKGXQRF-MRXNPFEDSA-N 0 0 472.014 4.790 40 0 JJABRN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000035166911 569677038 /nfs/dbraw/zinc/67/70/38/569677038.db2.gz DGFDBVUPPVNJKB-MRXNPFEDSA-N 0 0 484.394 4.503 40 0 JJABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035263799 569678917 /nfs/dbraw/zinc/67/89/17/569678917.db2.gz CDJZZLWGUABCDB-UHFFFAOYSA-N 0 0 493.972 4.649 40 0 JJABRN Cc1ccc(OCC(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1C ZINC000035263796 569678949 /nfs/dbraw/zinc/67/89/49/569678949.db2.gz PWKFTZQLKPHNEJ-UHFFFAOYSA-N 0 0 493.972 4.649 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3F)cc2c1 ZINC000035288589 569679579 /nfs/dbraw/zinc/67/95/79/569679579.db2.gz DUTDRRBQPKCTGA-UHFFFAOYSA-N 0 0 459.477 4.939 40 0 JJABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc12 ZINC000035351862 569681803 /nfs/dbraw/zinc/68/18/03/569681803.db2.gz JEJGSXOYGUDMTF-IWIPYMOSSA-N 0 0 472.566 4.860 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C2CCCCC2)cc1Cl ZINC000035352780 569681956 /nfs/dbraw/zinc/68/19/56/569681956.db2.gz NWOYHAIQGKXRRQ-KRWDZBQOSA-N 0 0 465.015 4.549 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000035377605 569685251 /nfs/dbraw/zinc/68/52/51/569685251.db2.gz CDWFFZRIWYIOFG-UHFFFAOYSA-N 0 0 492.641 4.964 40 0 JJABRN COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21 ZINC000068581475 569691392 /nfs/dbraw/zinc/69/13/92/569691392.db2.gz KUVHRLPJMQPDLI-NFJKTXFASA-N 0 0 460.327 4.598 40 0 JJABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccccc4F)CC3)s2)n1 ZINC000072230223 569700849 /nfs/dbraw/zinc/70/08/49/569700849.db2.gz MGCFKBZNCLCAEE-UHFFFAOYSA-N 0 0 469.973 4.854 40 0 JJABRN O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)C1 ZINC000072427572 569704120 /nfs/dbraw/zinc/70/41/20/569704120.db2.gz YYMOXZIYUXPJGG-NQIIRXRSSA-N 0 0 461.525 4.737 40 0 JJABRN COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O ZINC000082086512 569707937 /nfs/dbraw/zinc/70/79/37/569707937.db2.gz XGPZPMBRRDDEBJ-SFHVURJKSA-N 0 0 488.975 4.882 40 0 JJABRN O=C(N[C@H](N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1cccc2ccccc21 ZINC000094992856 569721401 /nfs/dbraw/zinc/72/14/01/569721401.db2.gz ZZXJBZBDPBMFFJ-XSSDXNQZSA-N 0 0 490.818 4.547 40 0 JJABRN CCOC(=O)c1c(Br)c2c(ccc(Cl)c2F)n1S(=O)(=O)c1ccccc1 ZINC000095936815 569730700 /nfs/dbraw/zinc/73/07/00/569730700.db2.gz JSGABDCPEYFWIF-UHFFFAOYSA-N 0 0 460.708 4.610 40 0 JJABRN COc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037436 569732381 /nfs/dbraw/zinc/73/23/81/569732381.db2.gz IVVQIKMKFKFVDG-UHFFFAOYSA-N 0 0 451.530 4.724 40 0 JJABRN Cc1ccc(NC(=O)c2ccc3c(c2)[C@H](c2ncn(C(C)C)n2)CN3C(=O)c2ccccc2)nc1 ZINC000096156519 569736882 /nfs/dbraw/zinc/73/68/82/569736882.db2.gz NIWMHDMBUWODMG-JOCHJYFZSA-N 0 0 466.545 4.607 40 0 JJABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000036067527 569756652 /nfs/dbraw/zinc/75/66/52/569756652.db2.gz HBIMFMHXKVYAFJ-SQJMNOBHSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1C ZINC000036093818 569756773 /nfs/dbraw/zinc/75/67/73/569756773.db2.gz UKLJIXJYLGBZFX-SQJMNOBHSA-N 0 0 450.604 4.672 40 0 JJABRN O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100358638 569757934 /nfs/dbraw/zinc/75/79/34/569757934.db2.gz OKJSPCADIGTKSD-GNKBHMEESA-N 0 0 465.505 4.923 40 0 JJABRN O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)Nc1ccc2c(c1)OCO2 ZINC000100392676 569758698 /nfs/dbraw/zinc/75/86/98/569758698.db2.gz GRGBWQPREUFKFR-UHFFFAOYSA-N 0 0 479.587 4.555 40 0 JJABRN Cc1ccc(N2C(=O)C[C@@H]([C@@H]3CC(C)=C4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]4C3)C2=O)cc1C ZINC000100543201 569764184 /nfs/dbraw/zinc/76/41/84/569764184.db2.gz YORJJKATIUIUDR-JOXZGHKQSA-N 0 0 470.569 4.572 40 0 JJABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000100556095 569764472 /nfs/dbraw/zinc/76/44/72/569764472.db2.gz UGQMGCQEIMOUGG-NEWJYFPISA-N 0 0 456.542 4.713 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c1OC ZINC000101028389 569779940 /nfs/dbraw/zinc/77/99/40/569779940.db2.gz IJMYYCGLMIZEQX-KLJDGLGGSA-N 0 0 480.520 4.908 40 0 JJABRN CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)cc3)C2=O)cc1 ZINC000101029492 569779944 /nfs/dbraw/zinc/77/99/44/569779944.db2.gz DDAVAODKVWGTQY-SDHSZQHLSA-N 0 0 458.514 4.622 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)o2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000101081604 569781834 /nfs/dbraw/zinc/78/18/34/569781834.db2.gz PQOJUFIDPPNRJJ-BBTUJRGHSA-N 0 0 482.817 4.843 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101089917 569782124 /nfs/dbraw/zinc/78/21/24/569782124.db2.gz FTVXESHJNBLTRS-DSITVLBTSA-N 0 0 458.514 4.535 40 0 JJABRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000101155966 569784885 /nfs/dbraw/zinc/78/48/85/569784885.db2.gz DATOMUUNBYGINO-FKBYEOEOSA-N 0 0 485.323 4.759 40 0 JJABRN CCCCOc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101161355 569785212 /nfs/dbraw/zinc/78/52/12/569785212.db2.gz RUYGNGFUNFIVJN-PVHODMMVSA-N 0 0 486.568 4.921 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000101164317 569785331 /nfs/dbraw/zinc/78/53/31/569785331.db2.gz ILRRTUNBFQAYMI-VABKMULXSA-N 0 0 493.357 4.899 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(SC)cc3)[C@@H]2C1=O ZINC000101212719 569787171 /nfs/dbraw/zinc/78/71/71/569787171.db2.gz MCDHGROHRRBXPD-HJOGWXRNSA-N 0 0 460.555 4.858 40 0 JJABRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CC2 ZINC000101258156 569788161 /nfs/dbraw/zinc/78/81/61/569788161.db2.gz IMPNGYFQBHHRML-UYTHQXMGSA-N 0 0 490.482 4.913 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1ccccc1 ZINC000101465697 569798604 /nfs/dbraw/zinc/79/86/04/569798604.db2.gz ZFCSJNQKJMSEKJ-ZODMCCGTSA-N 0 0 467.521 4.800 40 0 JJABRN Cc1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)ccc1Cl ZINC000038160884 569799562 /nfs/dbraw/zinc/79/95/62/569799562.db2.gz FZIIVGNAOOWCKE-UHFFFAOYSA-N 0 0 453.749 4.632 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)Nc1ccc(F)cc1F ZINC000038172410 569799742 /nfs/dbraw/zinc/79/97/42/569799742.db2.gz AUEWSURFMYHHPM-ZWSORDCHSA-N 0 0 492.301 4.884 40 0 JJABRN COc1cc([C@H]2CC(=O)N=C3NC=NN32)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000038261807 569801102 /nfs/dbraw/zinc/80/11/02/569801102.db2.gz LCVQWZKVWPQICH-OAHLLOKOSA-N 0 0 498.164 4.519 40 0 JJABRN CC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000038755211 569807018 /nfs/dbraw/zinc/80/70/18/569807018.db2.gz ADBBVPWXYYCCDR-RPBOFIJWSA-N 0 0 450.604 4.754 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000038757152 569807416 /nfs/dbraw/zinc/80/74/16/569807416.db2.gz SDIUSLXWYKGEML-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)ccc1Cl ZINC000038772349 569807640 /nfs/dbraw/zinc/80/76/40/569807640.db2.gz NVPWMPANQWZIBK-UHFFFAOYSA-N 0 0 499.416 4.987 40 0 JJABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000038772968 569807749 /nfs/dbraw/zinc/80/77/49/569807749.db2.gz YQHVSMFXUAIOEP-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccccc34)N(C)C2=S)cc1C ZINC000039556380 569810345 /nfs/dbraw/zinc/81/03/45/569810345.db2.gz DQEJQBJEFUKMLN-XYGWBWBKSA-N 0 0 486.641 4.875 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000039556648 569810560 /nfs/dbraw/zinc/81/05/60/569810560.db2.gz BSRCTOYXGOTGFG-JLPGSUDCSA-N 0 0 486.641 4.915 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc(OC)c1OC ZINC000039755318 569811401 /nfs/dbraw/zinc/81/14/01/569811401.db2.gz IYKKALQFFWRBTR-UHFFFAOYSA-N 0 0 490.541 4.736 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000039772735 569811948 /nfs/dbraw/zinc/81/19/48/569811948.db2.gz 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ZINC000222466101 569884478 /nfs/dbraw/zinc/88/44/78/569884478.db2.gz NUWCISIOTACAGH-DVECYGJZSA-N 0 0 487.600 4.531 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222478519 569884606 /nfs/dbraw/zinc/88/46/06/569884606.db2.gz JXMBSYSGDVFHPQ-CPJSRVTESA-N 0 0 462.590 4.949 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 ZINC000222493654 569884841 /nfs/dbraw/zinc/88/48/41/569884841.db2.gz WRPJWWZAEUDFPD-XMMPIXPASA-N 0 0 450.579 4.612 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000222493923 569884846 /nfs/dbraw/zinc/88/48/46/569884846.db2.gz FZPHGTRKBUBMDT-YKSBVNFPSA-N 0 0 454.611 4.920 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222503694 569884918 /nfs/dbraw/zinc/88/49/18/569884918.db2.gz VEWFZMBNDCORAR-YADARESESA-N 0 0 472.651 4.659 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc2ccccc2c1Br ZINC000222522819 569885123 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COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c2ccccc12 ZINC000222587525 569886397 /nfs/dbraw/zinc/88/63/97/569886397.db2.gz JWZXLEFUGWFIGK-SFHVURJKSA-N 0 0 492.553 4.715 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000222589478 569886419 /nfs/dbraw/zinc/88/64/19/569886419.db2.gz KRBATDABTCIHHT-FQEVSTJZSA-N 0 0 481.818 4.813 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000222610592 569886947 /nfs/dbraw/zinc/88/69/47/569886947.db2.gz WOXSIZJIQFDQLW-DOTOQJQBSA-N 0 0 485.433 4.670 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000222616853 569887027 /nfs/dbraw/zinc/88/70/27/569887027.db2.gz LSIUKKZYVMIDQZ-SFHVURJKSA-N 0 0 487.021 4.984 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)cc1 ZINC000222633424 569887390 /nfs/dbraw/zinc/88/73/90/569887390.db2.gz VVFDXHUOMJKINE-DEOSSOPVSA-N 0 0 479.418 4.686 40 0 JJABRN 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OXIDKAOSVOGZKE-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222739121 569889951 /nfs/dbraw/zinc/88/99/51/569889951.db2.gz LENYVMMOVJMDLP-HSZRJFAPSA-N 0 0 489.374 4.897 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 ZINC000222751060 569890222 /nfs/dbraw/zinc/89/02/22/569890222.db2.gz BYXMJNPTEPCBBW-AREMUKBSSA-N 0 0 464.556 4.920 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222753198 569890296 /nfs/dbraw/zinc/89/02/96/569890296.db2.gz UPWKWMWPCDSIKO-MHZLTWQESA-N 0 0 492.591 4.625 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000222751910 569890321 /nfs/dbraw/zinc/89/03/21/569890321.db2.gz LZQLPJFRJAECFW-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000222761093 569890464 /nfs/dbraw/zinc/89/04/64/569890464.db2.gz SQGHVSKDYKSLLZ-XUKJQLKWSA-N 0 0 460.530 4.786 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000222792173 569891216 /nfs/dbraw/zinc/89/12/16/569891216.db2.gz XSKVULFLUFMNGT-FQEVSTJZSA-N 0 0 471.450 4.979 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222796715 569891325 /nfs/dbraw/zinc/89/13/25/569891325.db2.gz WMSGQGDVPJNDTL-UHFFFAOYSA-N 0 0 460.555 4.644 40 0 JJABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803648 569891526 /nfs/dbraw/zinc/89/15/26/569891526.db2.gz RRHUUYXQGLSSAJ-KRWDZBQOSA-N 0 0 472.372 4.501 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000222807064 569891545 /nfs/dbraw/zinc/89/15/45/569891545.db2.gz XJIJQXHYBGIGSO-HXUWFJFHSA-N 0 0 495.019 4.942 40 0 JJABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222804950 569891573 /nfs/dbraw/zinc/89/15/73/569891573.db2.gz YWGQIABFQCXFRX-KRWDZBQOSA-N 0 0 451.394 4.952 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCc2ccccc2)cc1OC ZINC000222807794 569891619 /nfs/dbraw/zinc/89/16/19/569891619.db2.gz XYFMNYCVXIRDIZ-HXUWFJFHSA-N 0 0 495.019 4.676 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222833276 569892196 /nfs/dbraw/zinc/89/21/96/569892196.db2.gz OUSHMRXEVNSJTQ-QHCPKHFHSA-N 0 0 461.002 4.840 40 0 JJABRN CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)c1ccccc1 ZINC000222839759 569892380 /nfs/dbraw/zinc/89/23/80/569892380.db2.gz OLAQELJVJXWKME-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222844110 569892473 /nfs/dbraw/zinc/89/24/73/569892473.db2.gz TUVFKUNTUHQLBD-LJQANCHMSA-N 0 0 478.976 4.735 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222846772 569892550 /nfs/dbraw/zinc/89/25/50/569892550.db2.gz QTSNCXQOPOHUAQ-QHCPKHFHSA-N 0 0 454.611 4.704 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848318 569892611 /nfs/dbraw/zinc/89/26/11/569892611.db2.gz ZWALGUDHGQNUCF-KRWDZBQOSA-N 0 0 499.394 4.998 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222850243 569892666 /nfs/dbraw/zinc/89/26/66/569892666.db2.gz NEUBCCRHMUXPQL-FQEVSTJZSA-N 0 0 467.393 4.713 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222873289 569893173 /nfs/dbraw/zinc/89/31/73/569893173.db2.gz ZJLRBYKPFQTWFP-VWLOTQADSA-N 0 0 495.019 4.730 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000222879499 569893339 /nfs/dbraw/zinc/89/33/39/569893339.db2.gz BVZHYIKIASZHOO-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222878896 569893367 /nfs/dbraw/zinc/89/33/67/569893367.db2.gz RHNCMABPXWJFGO-GOSISDBHSA-N 0 0 454.929 4.592 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222879913 569893403 /nfs/dbraw/zinc/89/34/03/569893403.db2.gz HNYRDYOMKYMOAA-IBGZPJMESA-N 0 0 498.982 4.643 40 0 JJABRN CCSc1nnc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)s1 ZINC000222880754 569893423 /nfs/dbraw/zinc/89/34/23/569893423.db2.gz XCXFPVOWVUHWII-UHFFFAOYSA-N 0 0 483.040 4.522 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881434 569893439 /nfs/dbraw/zinc/89/34/39/569893439.db2.gz BNUGQUQIOBFONT-GOSISDBHSA-N 0 0 484.955 4.600 40 0 JJABRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222883198 569893451 /nfs/dbraw/zinc/89/34/51/569893451.db2.gz BMJZMKQFVNXUOM-CQSZACIVSA-N 0 0 484.927 4.983 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c(Br)c1 ZINC000222891155 569893733 /nfs/dbraw/zinc/89/37/33/569893733.db2.gz LSSPSECVCVRBBG-INIZCTEOSA-N 0 0 493.417 4.861 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc(C)c1Br ZINC000222890729 569893747 /nfs/dbraw/zinc/89/37/47/569893747.db2.gz DMUVYMLIKFKNBJ-KRWDZBQOSA-N 0 0 493.417 4.916 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222896564 569893857 /nfs/dbraw/zinc/89/38/57/569893857.db2.gz QGBPWRVGIDSCIG-QHCPKHFHSA-N 0 0 454.611 4.704 40 0 JJABRN C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222912070 569894140 /nfs/dbraw/zinc/89/41/40/569894140.db2.gz HZYHYZRGZROCHM-IBGZPJMESA-N 0 0 466.578 4.777 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Br ZINC000222922172 569894441 /nfs/dbraw/zinc/89/44/41/569894441.db2.gz RNKFCPKGXKZILP-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222924611 569894529 /nfs/dbraw/zinc/89/45/29/569894529.db2.gz ZQHHHGAKYBRCBK-LJQANCHMSA-N 0 0 452.957 4.798 40 0 JJABRN C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222927996 569894639 /nfs/dbraw/zinc/89/46/39/569894639.db2.gz GDTQKPWYWSEYLF-SFHVURJKSA-N 0 0 454.929 4.592 40 0 JJABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)c(Br)c1 ZINC000222933449 569894777 /nfs/dbraw/zinc/89/47/77/569894777.db2.gz PDPFCDURHMWFSX-QFIPXVFZSA-N 0 0 489.454 4.765 40 0 JJABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)c(Br)c1 ZINC000222933501 569894803 /nfs/dbraw/zinc/89/48/03/569894803.db2.gz PDPFCDURHMWFSX-JOCHJYFZSA-N 0 0 489.454 4.765 40 0 JJABRN O=C(NCCc1ccccc1)[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000222935778 569894889 /nfs/dbraw/zinc/89/48/89/569894889.db2.gz XAOHVQKGHHCPDA-MUUNZHRXSA-N 0 0 476.576 4.972 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222942310 569895079 /nfs/dbraw/zinc/89/50/79/569895079.db2.gz UKMZWOHLPJZBJK-UHFFFAOYSA-N 0 0 484.990 4.693 40 0 JJABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)CCCC2 ZINC000222954485 569895330 /nfs/dbraw/zinc/89/53/30/569895330.db2.gz XBSQORGYFGSGIL-QGZVFWFLSA-N 0 0 454.617 4.943 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000222954805 569895401 /nfs/dbraw/zinc/89/54/01/569895401.db2.gz XJUMFXYLFCSXSQ-HXUWFJFHSA-N 0 0 480.992 4.770 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222972655 569895805 /nfs/dbraw/zinc/89/58/05/569895805.db2.gz RSUKDHVDKUVMGZ-OAHLLOKOSA-N 0 0 497.419 4.721 40 0 JJABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)O2 ZINC000222972894 569895836 /nfs/dbraw/zinc/89/58/36/569895836.db2.gz JSDWZGLWYIMIHM-DCFHFQCYSA-N 0 0 490.625 4.708 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)c1 ZINC000222977654 569895912 /nfs/dbraw/zinc/89/59/12/569895912.db2.gz ITFOYSKMGZTUMZ-UHFFFAOYSA-N 0 0 492.641 4.891 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222987774 569896313 /nfs/dbraw/zinc/89/63/13/569896313.db2.gz LVXDWCHRUFMGFQ-HTAPYJJXSA-N 0 0 463.043 4.949 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2(c3ccccc3)CCOCC2)ccc1C ZINC000222997471 569896507 /nfs/dbraw/zinc/89/65/07/569896507.db2.gz CVFCPVOCLWOUDS-UHFFFAOYSA-N 0 0 478.614 4.582 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000223002593 569896550 /nfs/dbraw/zinc/89/65/50/569896550.db2.gz YIMUPQPROHQHTR-FQEVSTJZSA-N 0 0 484.662 4.559 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000223002659 569896637 /nfs/dbraw/zinc/89/66/37/569896637.db2.gz YIMUPQPROHQHTR-HXUWFJFHSA-N 0 0 484.662 4.559 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223012486 569896821 /nfs/dbraw/zinc/89/68/21/569896821.db2.gz ARRDREPBJOCMOX-HNNXBMFYSA-N 0 0 497.419 4.721 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223022025 569896991 /nfs/dbraw/zinc/89/69/91/569896991.db2.gz NPMYQVVFQOSURX-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223021004 569896998 /nfs/dbraw/zinc/89/69/98/569896998.db2.gz UZIOQBUZOXIEAA-QGZVFWFLSA-N 0 0 475.427 4.679 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223022085 569897037 /nfs/dbraw/zinc/89/70/37/569897037.db2.gz NPMYQVVFQOSURX-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025506 569897104 /nfs/dbraw/zinc/89/71/04/569897104.db2.gz KOTKRTLPFFTRMB-MUUNZHRXSA-N 0 0 472.629 4.958 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223029565 569897219 /nfs/dbraw/zinc/89/72/19/569897219.db2.gz VTTBXMQSRFRODK-VQTJNVASSA-N 0 0 476.371 4.862 40 0 JJABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223031509 569897330 /nfs/dbraw/zinc/89/73/30/569897330.db2.gz DLUFQSBDZFTJNB-SANMLTNESA-N 0 0 488.628 4.803 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223035476 569897406 /nfs/dbraw/zinc/89/74/06/569897406.db2.gz FDDYIRDAKANKLW-SFHVURJKSA-N 0 0 477.468 4.853 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1C ZINC000223035212 569897431 /nfs/dbraw/zinc/89/74/31/569897431.db2.gz NUQKOQXTIYKGQZ-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223037875 569897453 /nfs/dbraw/zinc/89/74/53/569897453.db2.gz PMHDDIQGJFLXNI-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223042042 569897558 /nfs/dbraw/zinc/89/75/58/569897558.db2.gz CJHHFLOBAJAJMV-NRFANRHFSA-N 0 0 469.434 4.906 40 0 JJABRN Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000223044376 569897626 /nfs/dbraw/zinc/89/76/26/569897626.db2.gz LRTQYWUWILRIKY-GFCCVEGCSA-N 0 0 485.418 4.754 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000223052316 569897778 /nfs/dbraw/zinc/89/77/78/569897778.db2.gz NXPOGDZVWOHWLW-FQEVSTJZSA-N 0 0 484.637 4.757 40 0 JJABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223055212 569897905 /nfs/dbraw/zinc/89/79/05/569897905.db2.gz 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COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223272589 569905701 /nfs/dbraw/zinc/90/57/01/569905701.db2.gz PVPPGZOOKCAKLC-HHHXNRCGSA-N 0 0 474.601 4.616 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223272588 569905728 /nfs/dbraw/zinc/90/57/28/569905728.db2.gz KMWSFABIOOWKGG-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C(C)C ZINC000223286715 569906294 /nfs/dbraw/zinc/90/62/94/569906294.db2.gz UKGPOCLTSJZHKV-MRXNPFEDSA-N 0 0 486.556 4.789 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223300926 569906605 /nfs/dbraw/zinc/90/66/05/569906605.db2.gz HZSTZHFBJORPTC-AJTFRIOCSA-N 0 0 458.602 4.793 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223309819 569906877 /nfs/dbraw/zinc/90/68/77/569906877.db2.gz NVGFPPFOIOZNPH-HOFKKMOUSA-N 0 0 458.602 4.929 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000223310387 569906919 /nfs/dbraw/zinc/90/69/19/569906919.db2.gz ALEWLHQJCZMTPF-QFQXNSOFSA-N 0 0 462.565 4.759 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223313376 569907045 /nfs/dbraw/zinc/90/70/45/569907045.db2.gz KHIHUFBOQNGWHU-NRFANRHFSA-N 0 0 467.393 4.714 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223316461 569907231 /nfs/dbraw/zinc/90/72/31/569907231.db2.gz FRURDLHJKADZED-AREMUKBSSA-N 0 0 480.992 4.642 40 0 JJABRN COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223316523 569907261 /nfs/dbraw/zinc/90/72/61/569907261.db2.gz FRURDLHJKADZED-SANMLTNESA-N 0 0 480.992 4.642 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000223318421 569907385 /nfs/dbraw/zinc/90/73/85/569907385.db2.gz IMAYLCPBCDSATP-VLCRHTCISA-N 0 0 483.435 4.786 40 0 JJABRN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)ccc1Cl ZINC000223320623 569907441 /nfs/dbraw/zinc/90/74/41/569907441.db2.gz UONWKKFIQAHWAC-CDNPAEQRSA-N 0 0 453.011 4.986 40 0 JJABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223320570 569907443 /nfs/dbraw/zinc/90/74/43/569907443.db2.gz BGNJAVXKKVIDHH-MHZLTWQESA-N 0 0 460.574 4.543 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223321323 569907506 /nfs/dbraw/zinc/90/75/06/569907506.db2.gz DBDPEHMOPJARND-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000223327531 569907631 /nfs/dbraw/zinc/90/76/31/569907631.db2.gz XAWPQASHZPKYNQ-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223338032 569907945 /nfs/dbraw/zinc/90/79/45/569907945.db2.gz GHEKZOVJAYGSFP-OAQYLSRUSA-N 0 0 486.678 4.855 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C ZINC000223355118 569908406 /nfs/dbraw/zinc/90/84/06/569908406.db2.gz RJKUGPSPZYWNOK-JTSKRJEESA-N 0 0 479.042 4.811 40 0 JJABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000223353963 569908427 /nfs/dbraw/zinc/90/84/27/569908427.db2.gz CDEVSIVAVKPFNB-QFIPXVFZSA-N 0 0 474.966 4.712 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(I)cc2)cc1C(C)C ZINC000223355648 569908441 /nfs/dbraw/zinc/90/84/41/569908441.db2.gz UUPBMODPQSDPKP-HNNXBMFYSA-N 0 0 467.347 4.988 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223357753 569908497 /nfs/dbraw/zinc/90/84/97/569908497.db2.gz SJHOGEGSBMEGFO-OAQYLSRUSA-N 0 0 467.393 4.714 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368754 569909162 /nfs/dbraw/zinc/90/91/62/569909162.db2.gz ZZIZYFHAPNSQOC-DHIUTWEWSA-N 0 0 459.527 4.894 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368890 569909164 /nfs/dbraw/zinc/90/91/64/569909164.db2.gz ZZIZYFHAPNSQOC-GOTSBHOMSA-N 0 0 459.527 4.894 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1I ZINC000223372107 569909201 /nfs/dbraw/zinc/90/92/01/569909201.db2.gz LOZPELYQRBUMSN-VQTJNVASSA-N 0 0 488.398 4.804 40 0 JJABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)cc1C(C)C ZINC000223384186 569909481 /nfs/dbraw/zinc/90/94/81/569909481.db2.gz DEJGPLLYCQBWHM-AWEZNQCLSA-N 0 0 456.402 4.938 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223404447 569910072 /nfs/dbraw/zinc/91/00/72/569910072.db2.gz BVLKDLBSLSNAAE-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223406500 569910179 /nfs/dbraw/zinc/91/01/79/569910179.db2.gz MXYPAIZREYUYOU-DQEYMECFSA-N 0 0 468.582 4.832 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000223407691 569910243 /nfs/dbraw/zinc/91/02/43/569910243.db2.gz IDSZFTSJKHBCQC-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223410998 569910362 /nfs/dbraw/zinc/91/03/62/569910362.db2.gz IXMANKRIDORIGS-VWLOTQADSA-N 0 0 464.949 4.865 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000223415388 569910512 /nfs/dbraw/zinc/91/05/12/569910512.db2.gz WXDISUQYFKBTFH-HNNXBMFYSA-N 0 0 476.948 4.927 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1C ZINC000223415320 569910523 /nfs/dbraw/zinc/91/05/23/569910523.db2.gz WXDISUQYFKBTFH-OAHLLOKOSA-N 0 0 476.948 4.927 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C ZINC000223416398 569910533 /nfs/dbraw/zinc/91/05/33/569910533.db2.gz JWASMAZKQBRSSH-HNNXBMFYSA-N 0 0 476.948 4.927 40 0 JJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223415863 569910538 /nfs/dbraw/zinc/91/05/38/569910538.db2.gz VNIJGUAZRBCAOM-LOSJGSFVSA-N 0 0 455.587 4.757 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223415827 569910541 /nfs/dbraw/zinc/91/05/41/569910541.db2.gz VNIJGUAZRBCAOM-RPBOFIJWSA-N 0 0 455.587 4.757 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000223434347 569911284 /nfs/dbraw/zinc/91/12/84/569911284.db2.gz IBJRKADUBIGNJX-AREMUKBSSA-N 0 0 480.992 4.642 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223434645 569911346 /nfs/dbraw/zinc/91/13/46/569911346.db2.gz VDRLTJFUYWOWAM-QHCPKHFHSA-N 0 0 458.574 4.715 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223435810 569911355 /nfs/dbraw/zinc/91/13/55/569911355.db2.gz IGBXOEXGUFWCIH-XNMGPUDCSA-N 0 0 493.003 4.784 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)ccc1C ZINC000223442121 569911529 /nfs/dbraw/zinc/91/15/29/569911529.db2.gz OCCRBNRVENSQET-RUZDIDTESA-N 0 0 462.565 4.598 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000223445765 569911583 /nfs/dbraw/zinc/91/15/83/569911583.db2.gz KSLHKGZCIUSLLH-FTJBHMTQSA-N 0 0 498.608 4.840 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc(F)cc1 ZINC000223444792 569911608 /nfs/dbraw/zinc/91/16/08/569911608.db2.gz XZCBTKKEKWRPMZ-VWLOTQADSA-N 0 0 482.596 4.974 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000223451906 569911801 /nfs/dbraw/zinc/91/18/01/569911801.db2.gz BUTUHMBXQFMLGU-RUZDIDTESA-N 0 0 462.565 4.598 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 ZINC000223455180 569911834 /nfs/dbraw/zinc/91/18/34/569911834.db2.gz KEUKONGVVVVSRZ-VWLOTQADSA-N 0 0 464.606 4.835 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000223454791 569911839 /nfs/dbraw/zinc/91/18/39/569911839.db2.gz HDYPJVAXLQVEOX-XMMPIXPASA-N 0 0 450.579 4.694 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223461110 569912082 /nfs/dbraw/zinc/91/20/82/569912082.db2.gz IBXWHZQLCIFSLK-NRFANRHFSA-N 0 0 484.637 4.759 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000223462787 569912127 /nfs/dbraw/zinc/91/21/27/569912127.db2.gz NYJPRPNVNBZOCS-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223463697 569912177 /nfs/dbraw/zinc/91/21/77/569912177.db2.gz FCLIUJBKEJBACC-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223467175 569912251 /nfs/dbraw/zinc/91/22/51/569912251.db2.gz WOULMPILASGKBN-FQEVSTJZSA-N 0 0 454.611 4.705 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223468743 569912303 /nfs/dbraw/zinc/91/23/03/569912303.db2.gz WKXQAUHWRYEXGQ-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C ZINC000223479760 569912724 /nfs/dbraw/zinc/91/27/24/569912724.db2.gz YFJSPGOYXHBEDM-HZPDHXFCSA-N 0 0 457.423 4.951 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C ZINC000223479814 569912747 /nfs/dbraw/zinc/91/27/47/569912747.db2.gz YFJSPGOYXHBEDM-JKSUJKDBSA-N 0 0 457.423 4.951 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000223483184 569912908 /nfs/dbraw/zinc/91/29/08/569912908.db2.gz BLOOQWWBMSYEFI-SANMLTNESA-N 0 0 462.565 4.761 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1C ZINC000223484812 569912991 /nfs/dbraw/zinc/91/29/91/569912991.db2.gz JFSNFKPOCNHCOR-LJQANCHMSA-N 0 0 451.032 4.997 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)ccc1C ZINC000223486884 569913099 /nfs/dbraw/zinc/91/30/99/569913099.db2.gz FJKHKCIHPMWZNZ-RUZDIDTESA-N 0 0 462.565 4.598 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1ccncc1 ZINC000223486687 569913120 /nfs/dbraw/zinc/91/31/20/569913120.db2.gz 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CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000223822868 569924320 /nfs/dbraw/zinc/92/43/20/569924320.db2.gz OWYZZJCFDISCKY-UHFFFAOYSA-N 0 0 464.609 4.761 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000223825314 569924398 /nfs/dbraw/zinc/92/43/98/569924398.db2.gz GTBCZFSPBNZQCU-UHFFFAOYSA-N 0 0 471.582 4.891 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223831381 569924648 /nfs/dbraw/zinc/92/46/48/569924648.db2.gz JDPFDEIXPORVHW-RPBOFIJWSA-N 0 0 455.587 4.902 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223833053 569924682 /nfs/dbraw/zinc/92/46/82/569924682.db2.gz PXBPJIVUZDTBLG-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223836317 569924706 /nfs/dbraw/zinc/92/47/06/569924706.db2.gz NDJASKLDVIYYRC-HNNXBMFYSA-N 0 0 469.434 4.789 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223867020 569925597 /nfs/dbraw/zinc/92/55/97/569925597.db2.gz MSCPFLHXCGZHMV-QGZVFWFLSA-N 0 0 451.394 4.851 40 0 JJABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223867047 569925615 /nfs/dbraw/zinc/92/56/15/569925615.db2.gz IXVMQXMMGFOORN-SFHVURJKSA-N 0 0 455.601 4.752 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223867273 569925621 /nfs/dbraw/zinc/92/56/21/569925621.db2.gz NPEKAPUMZQGKHJ-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223874363 569925825 /nfs/dbraw/zinc/92/58/25/569925825.db2.gz BQOMPEJLQMWYOW-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223880157 569926027 /nfs/dbraw/zinc/92/60/27/569926027.db2.gz HOYMKWPRFSUTOK-RPWUZVMVSA-N 0 0 470.554 4.542 40 0 JJABRN C[C@@H](CNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223879725 569926067 /nfs/dbraw/zinc/92/60/67/569926067.db2.gz ZRRFGHHNQBXHMN-IFDVCUOJSA-N 0 0 480.674 4.840 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc31)CC2)c1ccc(OCc2ccccc2)cc1 ZINC000223885443 569926285 /nfs/dbraw/zinc/92/62/85/569926285.db2.gz RFJKCOMRIJNZLH-UHFFFAOYSA-N 0 0 486.593 4.922 40 0 JJABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1cccnc1 ZINC000223890451 569926401 /nfs/dbraw/zinc/92/64/01/569926401.db2.gz XSRRTDCMKXBFSF-JWQCQUIFSA-N 0 0 454.603 4.819 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc(C)c1Cl ZINC000223891674 569926483 /nfs/dbraw/zinc/92/64/83/569926483.db2.gz OQHPWCFXMXYICY-SFHVURJKSA-N 0 0 460.977 4.951 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223907409 569926885 /nfs/dbraw/zinc/92/68/85/569926885.db2.gz BTVNJCVAVFPVMP-DQEYMECFSA-N 0 0 455.587 4.821 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223910279 569926965 /nfs/dbraw/zinc/92/69/65/569926965.db2.gz IMBYEGIHRXNHJA-QGZVFWFLSA-N 0 0 451.394 4.851 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000223910060 569926992 /nfs/dbraw/zinc/92/69/92/569926992.db2.gz FAXCLWCZFVRFIO-UHFFFAOYSA-N 0 0 476.664 4.699 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000223919385 569927293 /nfs/dbraw/zinc/92/72/93/569927293.db2.gz KFJIURHLVVJVRI-UHFFFAOYSA-N 0 0 472.994 4.536 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000223920816 569927335 /nfs/dbraw/zinc/92/73/35/569927335.db2.gz BZIPOBOKSCRLNP-UHFFFAOYSA-N 0 0 472.994 4.591 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1C ZINC000223921587 569927397 /nfs/dbraw/zinc/92/73/97/569927397.db2.gz OTNUNPAKSNNSHD-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223923625 569927437 /nfs/dbraw/zinc/92/74/37/569927437.db2.gz PMSGCPTWCDYXMT-INIZCTEOSA-N 0 0 481.431 4.765 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928103 569927574 /nfs/dbraw/zinc/92/75/74/569927574.db2.gz CUGAIMMZEOTPDQ-FTJBHMTQSA-N 0 0 485.613 4.538 40 0 JJABRN CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223928599 569927576 /nfs/dbraw/zinc/92/75/76/569927576.db2.gz RBRKDDQGNTXWLP-ZEQRLZLVSA-N 0 0 461.635 4.652 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1C ZINC000223933903 569927707 /nfs/dbraw/zinc/92/77/07/569927707.db2.gz CPAWUUQYTITBOW-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSc1ccccc1 ZINC000223934782 569927764 /nfs/dbraw/zinc/92/77/64/569927764.db2.gz YRFIVWMGLGLVFE-QGZVFWFLSA-N 0 0 463.441 4.875 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000223941636 569927868 /nfs/dbraw/zinc/92/78/68/569927868.db2.gz DGNWOUBFOBFJPA-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 ZINC000223944868 569928012 /nfs/dbraw/zinc/92/80/12/569928012.db2.gz WMQPNENOBWIGFR-UHFFFAOYSA-N 0 0 486.581 4.693 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223944410 569928026 /nfs/dbraw/zinc/92/80/26/569928026.db2.gz VIUFAQRQTTZTGE-OAHLLOKOSA-N 0 0 484.383 4.660 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000223946670 569928102 /nfs/dbraw/zinc/92/81/02/569928102.db2.gz BQCOLTHYEBIDNJ-DEOSSOPVSA-N 0 0 456.652 4.961 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000223947992 569928154 /nfs/dbraw/zinc/92/81/54/569928154.db2.gz JIXZKHWTUVADGJ-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223954652 569928299 /nfs/dbraw/zinc/92/82/99/569928299.db2.gz YOWNUXRWIZAZCB-QGZVFWFLSA-N 0 0 451.394 4.851 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223954063 569928324 /nfs/dbraw/zinc/92/83/24/569928324.db2.gz KIYCPZQYFYNKKW-AWEZNQCLSA-N 0 0 457.785 4.887 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000223963630 569928631 /nfs/dbraw/zinc/92/86/31/569928631.db2.gz ONVOYOUBIWXHFK-AMGIVPHBSA-N 0 0 474.601 4.629 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223968149 569928828 /nfs/dbraw/zinc/92/88/28/569928828.db2.gz PTDMCVAHIGIAIS-OAHLLOKOSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C)ccc2C)c(C)c1 ZINC000223972076 569929005 /nfs/dbraw/zinc/92/90/05/569929005.db2.gz MBRXDCWPLUAPOX-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)c(C)c1 ZINC000223972927 569929041 /nfs/dbraw/zinc/92/90/41/569929041.db2.gz IHMOGIFOHFDDKK-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 ZINC000223976184 569929155 /nfs/dbraw/zinc/92/91/55/569929155.db2.gz RILGDQHXUGWHAC-QFIPXVFZSA-N 0 0 491.426 4.560 40 0 JJABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000223979596 569929276 /nfs/dbraw/zinc/92/92/76/569929276.db2.gz JAQQGOYHXLCQDX-JWGURIENSA-N 0 0 459.571 4.901 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223983039 569929402 /nfs/dbraw/zinc/92/94/02/569929402.db2.gz SHENBDBRFFVSAJ-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223985134 569929433 /nfs/dbraw/zinc/92/94/33/569929433.db2.gz LZPLVSKUJPQSDH-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccc(C)cc2)cc1 ZINC000223993963 569929759 /nfs/dbraw/zinc/92/97/59/569929759.db2.gz DXQFQKGCMXQFDP-UHFFFAOYSA-N 0 0 498.670 4.724 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000223995652 569929797 /nfs/dbraw/zinc/92/97/97/569929797.db2.gz JULOAXMRUJPYHX-QFIPXVFZSA-N 0 0 491.053 4.940 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000224000571 569929939 /nfs/dbraw/zinc/92/99/39/569929939.db2.gz BHOWHOKIELUWQH-MSOLQXFVSA-N 0 0 460.378 4.811 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc4c5c(cccc53)CC4)Oc3ccccc32)cc1 ZINC000223999916 569929967 /nfs/dbraw/zinc/92/99/67/569929967.db2.gz ITGKNAHFSHIQLQ-SANMLTNESA-N 0 0 484.577 4.842 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccc2c(c1)OCO2 ZINC000224000697 569930007 /nfs/dbraw/zinc/93/00/07/569930007.db2.gz HZMHJKYMPWJXHQ-QZTJIDSGSA-N 0 0 460.378 4.811 40 0 JJABRN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)ccc3C)ccc2Cl)cc1 ZINC000224002012 569930047 /nfs/dbraw/zinc/93/00/47/569930047.db2.gz HGGKRRWJWCEHFE-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224006068 569930175 /nfs/dbraw/zinc/93/01/75/569930175.db2.gz QVPSLCYNTRHEBZ-RPBOFIJWSA-N 0 0 470.554 4.787 40 0 JJABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224006173 569930224 /nfs/dbraw/zinc/93/02/24/569930224.db2.gz QVPSLCYNTRHEBZ-DQEYMECFSA-N 0 0 470.554 4.787 40 0 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Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1C ZINC000224765414 569956706 /nfs/dbraw/zinc/95/67/06/569956706.db2.gz GELJCYQEGQWNQH-SANMLTNESA-N 0 0 458.602 4.847 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000224767524 569956802 /nfs/dbraw/zinc/95/68/02/569956802.db2.gz UUGSYPYFCJXVFY-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN Cc1cc(Cl)ccc1N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O ZINC000224768601 569956814 /nfs/dbraw/zinc/95/68/14/569956814.db2.gz VRJCGZWOMVCLEV-UHFFFAOYSA-N 0 0 472.010 4.819 40 0 JJABRN Cc1cc(Cl)ccc1N(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000224768750 569956853 /nfs/dbraw/zinc/95/68/53/569956853.db2.gz OSZBEIZUGMFOJA-UHFFFAOYSA-N 0 0 481.058 4.687 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 ZINC000224774605 569957035 /nfs/dbraw/zinc/95/70/35/569957035.db2.gz VGXRJJSFWJSNDO-NRFANRHFSA-N 0 0 451.394 4.952 40 0 JJABRN Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000224775603 569957092 /nfs/dbraw/zinc/95/70/92/569957092.db2.gz TVFYIRDDNQDOIV-UHFFFAOYSA-N 0 0 474.985 4.726 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224778309 569957197 /nfs/dbraw/zinc/95/71/97/569957197.db2.gz HDZIWTUDDOWLRA-UHFFFAOYSA-N 0 0 452.576 4.693 40 0 JJABRN CCc1ccccc1NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224778740 569957238 /nfs/dbraw/zinc/95/72/38/569957238.db2.gz IOKFDKXJOKVEKV-UHFFFAOYSA-N 0 0 452.576 4.639 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(SC)c2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224782013 569957352 /nfs/dbraw/zinc/95/73/52/569957352.db2.gz LUNOYCPIZCBLHZ-UHFFFAOYSA-N 0 0 470.616 4.799 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000224786135 569957475 /nfs/dbraw/zinc/95/74/75/569957475.db2.gz RIXVTIHGEKPYMM-LJQANCHMSA-N 0 0 485.024 4.910 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSCc2ccc(C)cc2)cc1OC ZINC000224788147 569957584 /nfs/dbraw/zinc/95/75/84/569957584.db2.gz PDDDSFFCHPHKLX-JWGURIENSA-N 0 0 496.654 4.894 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224787862 569957615 /nfs/dbraw/zinc/95/76/15/569957615.db2.gz DTHLSRJVQAXDAQ-HHHXNRCGSA-N 0 0 458.602 4.711 40 0 JJABRN CCc1ccc(NC(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000224789511 569957709 /nfs/dbraw/zinc/95/77/09/569957709.db2.gz TXTMFFILOAVYKQ-UHFFFAOYSA-N 0 0 472.994 4.984 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000224791087 569957752 /nfs/dbraw/zinc/95/77/52/569957752.db2.gz FHSHTXPYFJFFRG-UHFFFAOYSA-N 0 0 497.366 4.917 40 0 JJABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224791905 569957798 /nfs/dbraw/zinc/95/77/98/569957798.db2.gz QJQHWDBWIIGPSP-UHFFFAOYSA-N 0 0 488.993 4.820 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224801004 569958157 /nfs/dbraw/zinc/95/81/57/569958157.db2.gz JKALTLBEADWTCL-UHFFFAOYSA-N 0 0 460.502 4.582 40 0 JJABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c(OC)c1 ZINC000224801745 569958230 /nfs/dbraw/zinc/95/82/30/569958230.db2.gz PHVBJCYGQHMIBS-RPWUZVMVSA-N 0 0 460.559 4.719 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)c(C)c1 ZINC000224801957 569958236 /nfs/dbraw/zinc/95/82/36/569958236.db2.gz CVRAUMPEIQIJMO-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN CSc1cccc(N(CCCC(=O)Nc2ccc3c4c(cccc42)CC3)S(C)(=O)=O)c1 ZINC000224804645 569958347 /nfs/dbraw/zinc/95/83/47/569958347.db2.gz JPAMWYPPRWUVSD-UHFFFAOYSA-N 0 0 454.617 4.845 40 0 JJABRN COCc1cccc(NC(=O)c2ccc(CN(c3cccc(SC)c3)S(C)(=O)=O)cc2)c1 ZINC000224806416 569958382 /nfs/dbraw/zinc/95/83/82/569958382.db2.gz GGWFFMMJVRCRHZ-UHFFFAOYSA-N 0 0 470.616 4.773 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)c(Cl)c1 ZINC000224808677 569958481 /nfs/dbraw/zinc/95/84/81/569958481.db2.gz GYKUJIZHALRHPK-UHFFFAOYSA-N 0 0 475.973 4.650 40 0 JJABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224808489 569958512 /nfs/dbraw/zinc/95/85/12/569958512.db2.gz FFBSBVKXYHARIB-QGZVFWFLSA-N 0 0 488.556 4.821 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 ZINC000224809910 569958525 /nfs/dbraw/zinc/95/85/25/569958525.db2.gz CZVVMWGZWOSCLF-NRFANRHFSA-N 0 0 451.394 4.952 40 0 JJABRN C[C@H](CNC(=O)c1ccc(CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000224810042 569958532 /nfs/dbraw/zinc/95/85/32/569958532.db2.gz LZKQZXWKZXDJGC-QGZVFWFLSA-N 0 0 474.985 4.979 40 0 JJABRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 ZINC000224813695 569958754 /nfs/dbraw/zinc/95/87/54/569958754.db2.gz CPLWKJIPZRNFAE-KRWDZBQOSA-N 0 0 452.567 4.877 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224821113 569959144 /nfs/dbraw/zinc/95/91/44/569959144.db2.gz RXJPESXCGPKWEM-IBGZPJMESA-N 0 0 472.626 4.934 40 0 JJABRN CCOc1ccc(NC(=O)c2ccc(OCC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000224824684 569959355 /nfs/dbraw/zinc/95/93/55/569959355.db2.gz HPUONNSOIRYEOV-UHFFFAOYSA-N 0 0 482.602 4.865 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)c1 ZINC000224830910 569959492 /nfs/dbraw/zinc/95/94/92/569959492.db2.gz LZKKAYNAOLTFQJ-LOSJGSFVSA-N 0 0 471.586 4.770 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000224832932 569959613 /nfs/dbraw/zinc/95/96/13/569959613.db2.gz RAVWQIZKUOQBDF-IBGZPJMESA-N 0 0 487.575 4.805 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 ZINC000224834619 569959713 /nfs/dbraw/zinc/95/97/13/569959713.db2.gz WTSZGCZNGKKMIO-RPWUZVMVSA-N 0 0 460.559 4.719 40 0 JJABRN Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224844038 569959957 /nfs/dbraw/zinc/95/99/57/569959957.db2.gz ALFYGYSAHJHRFQ-SANMLTNESA-N 0 0 486.612 4.821 40 0 JJABRN CCc1cccc(C)c1N(Cc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000224845631 569960130 /nfs/dbraw/zinc/96/01/30/569960130.db2.gz OFOJVAIHIJCGCI-UHFFFAOYSA-N 0 0 494.657 4.949 40 0 JJABRN C[C@@H](CNC(=O)CCCN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000224846976 569960235 /nfs/dbraw/zinc/96/02/35/569960235.db2.gz GYLBCBLVRCRGGT-HNNXBMFYSA-N 0 0 476.948 4.825 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224847691 569960238 /nfs/dbraw/zinc/96/02/38/569960238.db2.gz GGOWRAZLMNTRFA-DEOSSOPVSA-N 0 0 495.019 4.892 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000224849212 569960283 /nfs/dbraw/zinc/96/02/83/569960283.db2.gz ZQYOKYYSAVZAEO-LJQANCHMSA-N 0 0 452.576 4.685 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 ZINC000224848499 569960284 /nfs/dbraw/zinc/96/02/84/569960284.db2.gz WGYLYWQDOBQYTR-RPBOFIJWSA-N 0 0 472.570 4.772 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000224857651 569960449 /nfs/dbraw/zinc/96/04/49/569960449.db2.gz GLTXOOXSRBTTJW-UHFFFAOYSA-N 0 0 468.428 4.558 40 0 JJABRN CCOc1ccccc1N(Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000224863494 569960689 /nfs/dbraw/zinc/96/06/89/569960689.db2.gz MXHBBWWTMVHHTA-UHFFFAOYSA-N 0 0 480.630 4.803 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C)cc2)cc1 ZINC000224864103 569960693 /nfs/dbraw/zinc/96/06/93/569960693.db2.gz PLEVDIALUQCVTI-UHFFFAOYSA-N 0 0 494.491 4.736 40 0 JJABRN C[C@@H](CNC(=O)CCCN(c1ccc(Br)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000224868706 569961012 /nfs/dbraw/zinc/96/10/12/569961012.db2.gz BTWVEPVGJYWKRO-HNNXBMFYSA-N 0 0 487.847 4.569 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224875061 569961235 /nfs/dbraw/zinc/96/12/35/569961235.db2.gz YGIWYKMMWFYUTR-AREMUKBSSA-N 0 0 495.019 4.892 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000224886874 569961931 /nfs/dbraw/zinc/96/19/31/569961931.db2.gz CCUWYOXLYAPPOL-MRXNPFEDSA-N 0 0 458.967 4.949 40 0 JJABRN CN(c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1)S(=O)(=O)c1ccccc1 ZINC000224892747 569962105 /nfs/dbraw/zinc/96/21/05/569962105.db2.gz ACKKHFFPUDCCOO-UHFFFAOYSA-N 0 0 450.438 4.663 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1 ZINC000224901986 569962464 /nfs/dbraw/zinc/96/24/64/569962464.db2.gz HHEUJVVZRTVESO-KRWDZBQOSA-N 0 0 451.394 4.933 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000224902288 569962520 /nfs/dbraw/zinc/96/25/20/569962520.db2.gz HOQAVZSIGJLYQF-XMMPIXPASA-N 0 0 454.611 4.579 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224902992 569962573 /nfs/dbraw/zinc/96/25/73/569962573.db2.gz SGPKYMGTSFOLDA-XMMPIXPASA-N 0 0 495.019 4.892 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000224903829 569962641 /nfs/dbraw/zinc/96/26/41/569962641.db2.gz VOVSASGOGMEXPQ-HSZRJFAPSA-N 0 0 460.615 4.647 40 0 JJABRN COCc1cccc(NC(=O)CCCN(c2ccccc2-c2ccccc2)S(C)(=O)=O)c1 ZINC000224903482 569962662 /nfs/dbraw/zinc/96/26/62/569962662.db2.gz GZPUJZCUHZHSDL-UHFFFAOYSA-N 0 0 452.576 4.685 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000224906595 569962822 /nfs/dbraw/zinc/96/28/22/569962822.db2.gz DWDUOXVOYIUJGC-UHFFFAOYSA-N 0 0 493.629 4.828 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000224907814 569962835 /nfs/dbraw/zinc/96/28/35/569962835.db2.gz FATNHFKYLGRBEV-DEOSSOPVSA-N 0 0 456.652 4.816 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000224910866 569962998 /nfs/dbraw/zinc/96/29/98/569962998.db2.gz JOAVZBUTUXOPBQ-AWEZNQCLSA-N 0 0 457.785 4.969 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1C ZINC000224911315 569963027 /nfs/dbraw/zinc/96/30/27/569963027.db2.gz DVWXGTNBWQIGPR-QGZVFWFLSA-N 0 0 451.394 4.933 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000224911075 569963053 /nfs/dbraw/zinc/96/30/53/569963053.db2.gz BXQFKUXPBTUEOP-XMMPIXPASA-N 0 0 456.652 4.816 40 0 JJABRN O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000224918980 569963350 /nfs/dbraw/zinc/96/33/50/569963350.db2.gz LCCXWEWMEQHVIT-XMMPIXPASA-N 0 0 498.004 4.535 40 0 JJABRN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224917982 569963393 /nfs/dbraw/zinc/96/33/93/569963393.db2.gz BICSEZGUXICNBN-UHFFFAOYSA-N 0 0 496.460 4.774 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224921778 569963468 /nfs/dbraw/zinc/96/34/68/569963468.db2.gz BZRRPAAVSVIWJJ-UHFFFAOYSA-N 0 0 473.664 4.682 40 0 JJABRN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)c(C)c1 ZINC000224924648 569963536 /nfs/dbraw/zinc/96/35/36/569963536.db2.gz PTAHGWXKNJXUPP-SFTDATJTSA-N 0 0 471.424 4.778 40 0 JJABRN CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000224934038 569963995 /nfs/dbraw/zinc/96/39/95/569963995.db2.gz OCFRAONQZRGJFO-GOSISDBHSA-N 0 0 483.461 4.673 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224934505 569964023 /nfs/dbraw/zinc/96/40/23/569964023.db2.gz CECGLHCLAUDYMW-HXUWFJFHSA-N 0 0 496.629 4.647 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000224936449 569964067 /nfs/dbraw/zinc/96/40/67/569964067.db2.gz TZGHPYYLBXUREO-CQSZACIVSA-N 0 0 457.785 4.969 40 0 JJABRN COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc4c(c3)OCO4)o2)c(OC)c1 ZINC000224937022 569964086 /nfs/dbraw/zinc/96/40/86/569964086.db2.gz IDIYLJUMYBWESZ-UHFFFAOYSA-N 0 0 458.470 4.685 40 0 JJABRN O=c1sc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000224939490 569964146 /nfs/dbraw/zinc/96/41/46/569964146.db2.gz IWBKHIRANXJJSV-UHFFFAOYSA-N 0 0 465.600 4.512 40 0 JJABRN NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC000224944473 569964349 /nfs/dbraw/zinc/96/43/49/569964349.db2.gz XNTJVNLTPBREPP-UHFFFAOYSA-N 0 0 498.358 4.671 40 0 JJABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)s1 ZINC000224946162 569964411 /nfs/dbraw/zinc/96/44/11/569964411.db2.gz BSHOYTSZASNETA-OAHLLOKOSA-N 0 0 492.648 4.626 40 0 JJABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224947264 569964463 /nfs/dbraw/zinc/96/44/63/569964463.db2.gz JTJIAWUKFCYBQA-MHZLTWQESA-N 0 0 476.592 4.986 40 0 JJABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224950011 569964545 /nfs/dbraw/zinc/96/45/45/569964545.db2.gz ZEOUQBBNQDEGKN-SANMLTNESA-N 0 0 476.592 4.986 40 0 JJABRN COc1cccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224949863 569964575 /nfs/dbraw/zinc/96/45/75/569964575.db2.gz DRLINZQMHWMJBA-HXUWFJFHSA-N 0 0 482.621 4.511 40 0 JJABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224950055 569964590 /nfs/dbraw/zinc/96/45/90/569964590.db2.gz ZEOUQBBNQDEGKN-AREMUKBSSA-N 0 0 476.592 4.986 40 0 JJABRN COc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224954438 569964836 /nfs/dbraw/zinc/96/48/36/569964836.db2.gz UVGKEHZHQWTOLL-KRWDZBQOSA-N 0 0 460.977 4.896 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224955253 569964869 /nfs/dbraw/zinc/96/48/69/569964869.db2.gz DYOAUHKHUTZRIN-GOSISDBHSA-N 0 0 458.986 4.594 40 0 JJABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1Cl ZINC000224954313 569964870 /nfs/dbraw/zinc/96/48/70/569964870.db2.gz FJPKQZGDDWIPIK-PDIWNELESA-N 0 0 469.010 4.901 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000224955510 569964879 /nfs/dbraw/zinc/96/48/79/569964879.db2.gz UAPDHRDSAJPRFA-SANMLTNESA-N 0 0 462.565 4.678 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(N4CCCCC4)cc3)Oc3ccccc32)cc1 ZINC000224955486 569964893 /nfs/dbraw/zinc/96/48/93/569964893.db2.gz WVMUGEYMPVVCAX-SANMLTNESA-N 0 0 491.613 4.580 40 0 JJABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000224955842 569964916 /nfs/dbraw/zinc/96/49/16/569964916.db2.gz YJPYSMWYMKRXKY-DEOSSOPVSA-N 0 0 466.528 4.508 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224956870 569965175 /nfs/dbraw/zinc/96/51/75/569965175.db2.gz KQTJQBRYRFHNQJ-FQEVSTJZSA-N 0 0 484.662 4.803 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl ZINC000408593924 569965218 /nfs/dbraw/zinc/96/52/18/569965218.db2.gz QQIQMXPHITUHTI-KRWDZBQOSA-N 0 0 458.967 4.705 40 0 JJABRN COc1ccccc1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1-c1ccccc1 ZINC000408594014 569965223 /nfs/dbraw/zinc/96/52/23/569965223.db2.gz CZTPJFMHAHNHIB-UHFFFAOYSA-N 0 0 471.542 4.796 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000224964615 569965582 /nfs/dbraw/zinc/96/55/82/569965582.db2.gz FXQGQCCQLZIWRH-RUZDIDTESA-N 0 0 452.639 4.985 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000408594794 569965708 /nfs/dbraw/zinc/96/57/08/569965708.db2.gz QSJATMHKSOFNJQ-HNNXBMFYSA-N 0 0 485.993 4.782 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1Cl ZINC000224968429 569965883 /nfs/dbraw/zinc/96/58/83/569965883.db2.gz VSOSYFMQPGISLE-AWEZNQCLSA-N 0 0 457.785 4.969 40 0 JJABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408594961 569965884 /nfs/dbraw/zinc/96/58/84/569965884.db2.gz QBZIDQCNWAMTIO-FQEVSTJZSA-N 0 0 463.386 4.830 40 0 JJABRN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000408595123 569965927 /nfs/dbraw/zinc/96/59/27/569965927.db2.gz TYIJPHULTRQHAI-CYBMUJFWSA-N 0 0 478.920 4.843 40 0 JJABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2c(C)cc(Br)cc2C)n1C ZINC000408595208 569965963 /nfs/dbraw/zinc/96/59/63/569965963.db2.gz LFKQSAZPLCWFCR-UHFFFAOYSA-N 0 0 475.412 4.813 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(C)C)cc1 ZINC000408595172 569965999 /nfs/dbraw/zinc/96/59/99/569965999.db2.gz KYMBPXWLXJIVAA-UHFFFAOYSA-N 0 0 454.333 4.550 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000408595130 569966002 /nfs/dbraw/zinc/96/60/02/569966002.db2.gz TZHQNOGUJBLKMR-UHFFFAOYSA-N 0 0 480.586 4.979 40 0 JJABRN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000224972216 569966134 /nfs/dbraw/zinc/96/61/34/569966134.db2.gz DSPBFZWRNRNLIW-OAHLLOKOSA-N 0 0 470.422 4.777 40 0 JJABRN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000224971548 569966203 /nfs/dbraw/zinc/96/62/03/569966203.db2.gz DZICGOUSWXGPJW-HNNXBMFYSA-N 0 0 470.422 4.777 40 0 JJABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000408595786 569966309 /nfs/dbraw/zinc/96/63/09/569966309.db2.gz OHCITJSNQQDPOJ-UHFFFAOYSA-N 0 0 460.559 4.964 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224973825 569966511 /nfs/dbraw/zinc/96/65/11/569966511.db2.gz QKNJHYFDXQOJAE-NRFANRHFSA-N 0 0 467.994 4.653 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000224974647 569966530 /nfs/dbraw/zinc/96/65/30/569966530.db2.gz XFUIEQNEQGNQDD-UHFFFAOYSA-N 0 0 483.556 4.881 40 0 JJABRN CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408596336 569966699 /nfs/dbraw/zinc/96/66/99/569966699.db2.gz RPMSFDDRBHIWEZ-UHFFFAOYSA-N 0 0 476.558 4.548 40 0 JJABRN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000224976455 569966719 /nfs/dbraw/zinc/96/67/19/569966719.db2.gz ATAFDGXCHSLIQJ-FQEVSTJZSA-N 0 0 476.042 4.511 40 0 JJABRN O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000224976363 569966721 /nfs/dbraw/zinc/96/67/21/569966721.db2.gz HMXMIIVFVDSMES-FQEVSTJZSA-N 0 0 476.042 4.511 40 0 JJABRN COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408596481 569966840 /nfs/dbraw/zinc/96/68/40/569966840.db2.gz WIDWNNPVPCGBDQ-UHFFFAOYSA-N 0 0 495.041 4.700 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000224980335 569967078 /nfs/dbraw/zinc/96/70/78/569967078.db2.gz OKPCEOUBPNSLMV-INIZCTEOSA-N 0 0 467.006 4.664 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1NC(=O)C(C)C ZINC000224988739 569967616 /nfs/dbraw/zinc/96/76/16/569967616.db2.gz GFRGKGMLHCKZAU-UHFFFAOYSA-N 0 0 457.415 4.875 40 0 JJABRN Cc1ccccc1[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000224992365 569967719 /nfs/dbraw/zinc/96/77/19/569967719.db2.gz SABYGCGJQDFPCX-FQEVSTJZSA-N 0 0 499.017 4.820 40 0 JJABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000408598051 569967748 /nfs/dbraw/zinc/96/77/48/569967748.db2.gz ZDSFVZMQVQQFIY-SFHVURJKSA-N 0 0 479.602 4.909 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000224995599 569967971 /nfs/dbraw/zinc/96/79/71/569967971.db2.gz QXMMKEFCMFZTSZ-LJQANCHMSA-N 0 0 487.438 4.737 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000224998267 569968260 /nfs/dbraw/zinc/96/82/60/569968260.db2.gz VOJGXZHOUASCDW-HZPDHXFCSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000224998307 569968272 /nfs/dbraw/zinc/96/82/72/569968272.db2.gz VOJGXZHOUASCDW-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000225001830 569968464 /nfs/dbraw/zinc/96/84/64/569968464.db2.gz SCGIGCJKFIDPON-FQEVSTJZSA-N 0 0 456.627 4.968 40 0 JJABRN CCOC(=O)c1c(NC(=O)COc2ccc(C=O)cc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000408600489 569968495 /nfs/dbraw/zinc/96/84/95/569968495.db2.gz ZVKLNBRNEYCJRW-MRXNPFEDSA-N 0 0 473.591 4.914 40 0 JJABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000225003344 569968483 /nfs/dbraw/zinc/96/84/83/569968483.db2.gz ATUSPDZCWSKITE-KUHUBIRLSA-N 0 0 473.422 4.732 40 0 JJABRN CCOC(=O)c1c(NC(=O)COc2ccc(C=O)cc2OC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000408600488 569968581 /nfs/dbraw/zinc/96/85/81/569968581.db2.gz ZVKLNBRNEYCJRW-INIZCTEOSA-N 0 0 473.591 4.914 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000408600749 569968596 /nfs/dbraw/zinc/96/85/96/569968596.db2.gz CEORZCRAEWXBFJ-UHFFFAOYSA-N 0 0 450.560 4.611 40 0 JJABRN O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408600636 569968671 /nfs/dbraw/zinc/96/86/71/569968671.db2.gz BMVYLYTVNKVRMA-LJQANCHMSA-N 0 0 467.349 4.661 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000408600687 569968698 /nfs/dbraw/zinc/96/86/98/569968698.db2.gz CAUAKNYCNYBRDB-JTQLQIEISA-N 0 0 485.311 4.716 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408600865 569968797 /nfs/dbraw/zinc/96/87/97/569968797.db2.gz CWXPCALRHCDXRG-UHFFFAOYSA-N 0 0 457.379 4.576 40 0 JJABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408600983 569968810 /nfs/dbraw/zinc/96/88/10/569968810.db2.gz DEHOVDGBGYJXBK-ZDUSSCGKSA-N 0 0 478.920 4.699 40 0 JJABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1I ZINC000225007126 569968866 /nfs/dbraw/zinc/96/88/66/569968866.db2.gz BGLCZXBCPOPPIX-MSOLQXFVSA-N 0 0 466.392 4.546 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000225010932 569968965 /nfs/dbraw/zinc/96/89/65/569968965.db2.gz LCFRDESDGNBCBF-KRWDZBQOSA-N 0 0 493.467 4.634 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cccc(Cl)c2)cc1 ZINC000408601668 569969159 /nfs/dbraw/zinc/96/91/59/569969159.db2.gz BDKLJJHKWOLJIC-UHFFFAOYSA-N 0 0 465.015 4.773 40 0 JJABRN COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408601780 569969245 /nfs/dbraw/zinc/96/92/45/569969245.db2.gz HFRZDQFIZASYHP-LJQANCHMSA-N 0 0 479.385 4.530 40 0 JJABRN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)n(NC(=O)C(=O)Nc3ccc(Cl)cc3)c21 ZINC000408601827 569969285 /nfs/dbraw/zinc/96/92/85/569969285.db2.gz BWCLIPNANSGQPQ-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(I)c1 ZINC000225017526 569969466 /nfs/dbraw/zinc/96/94/66/569969466.db2.gz GDVFOMOPJHOJPX-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN COC(=O)c1c(NC(=O)c2ccc(C)cc2I)sc2c1CCCC2 ZINC000225017472 569969474 /nfs/dbraw/zinc/96/94/74/569969474.db2.gz LUXIERUIENANIP-UHFFFAOYSA-N 0 0 455.317 4.579 40 0 JJABRN Cn1c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2sc1=O ZINC000225022021 569969737 /nfs/dbraw/zinc/96/97/37/569969737.db2.gz BFZBPUPZYNFBAJ-DEOSSOPVSA-N 0 0 475.595 4.627 40 0 JJABRN O=C(Nc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408603923 569970091 /nfs/dbraw/zinc/97/00/91/569970091.db2.gz HKTBDCUZFGWXDW-UHFFFAOYSA-N 0 0 467.312 4.909 40 0 JJABRN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)n(NC(=O)C(=O)Nc3ccccc3)c21 ZINC000408603909 569970180 /nfs/dbraw/zinc/97/01/80/569970180.db2.gz HKKFIVXIKOVLEN-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408603708 569970184 /nfs/dbraw/zinc/97/01/84/569970184.db2.gz FOPFVZVBSPGHFB-SANMLTNESA-N 0 0 477.586 4.788 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000225032332 569970493 /nfs/dbraw/zinc/97/04/93/569970493.db2.gz 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APWOFOZFLUASNR-UHFFFAOYSA-N 0 0 475.383 4.919 40 0 JJABRN COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000408643474 569990238 /nfs/dbraw/zinc/99/02/38/569990238.db2.gz BDXITKJQCOSKJY-IBGZPJMESA-N 0 0 476.529 4.627 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)ccc1C ZINC000225319108 569990253 /nfs/dbraw/zinc/99/02/53/569990253.db2.gz ZIXUGUOVHJULFX-VWLOTQADSA-N 0 0 466.622 4.947 40 0 JJABRN COc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000408643573 569990310 /nfs/dbraw/zinc/99/03/10/569990310.db2.gz BUACKJAGNSWQGU-UHFFFAOYSA-N 0 0 480.492 4.917 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1C ZINC000225323999 569990326 /nfs/dbraw/zinc/99/03/26/569990326.db2.gz CFEHKRMEYGJGQI-RUZDIDTESA-N 0 0 466.622 4.947 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000225323419 569990389 /nfs/dbraw/zinc/99/03/89/569990389.db2.gz ILFZRXMUXRTOCP-RUZDIDTESA-N 0 0 452.595 4.639 40 0 JJABRN 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CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000225347321 569991974 /nfs/dbraw/zinc/99/19/74/569991974.db2.gz QASIHTIKYCWKRC-HOTGVXAUSA-N 0 0 467.393 4.713 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000225346801 569991986 /nfs/dbraw/zinc/99/19/86/569991986.db2.gz XDQTWTUMTYOFFJ-VWLOTQADSA-N 0 0 452.595 4.503 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000225348834 569992005 /nfs/dbraw/zinc/99/20/05/569992005.db2.gz DWKQKJYZFNZHDY-NHCUHLMSSA-N 0 0 456.652 4.877 40 0 JJABRN O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408647039 569992128 /nfs/dbraw/zinc/99/21/28/569992128.db2.gz RZXVQIPQIMBAHC-UHFFFAOYSA-N 0 0 485.172 4.646 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(Cl)c1 ZINC000225350698 569992151 /nfs/dbraw/zinc/99/21/51/569992151.db2.gz UQONZKJLQIAVLM-DEOSSOPVSA-N 0 0 473.013 4.984 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 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570123479 /nfs/dbraw/zinc/12/34/79/570123479.db2.gz JPMWUBOXGFPVGS-OALUTQOASA-N 0 0 486.642 4.747 40 0 JJABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3C)C2)n1 ZINC000257252130 570123728 /nfs/dbraw/zinc/12/37/28/570123728.db2.gz JTQXJJMMHWBJHM-JOCHJYFZSA-N 0 0 471.601 4.922 40 0 JJABRN O=C(CCNC(=O)c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257252690 570123943 /nfs/dbraw/zinc/12/39/43/570123943.db2.gz JVSPNQXEPRWJSH-QHCPKHFHSA-N 0 0 482.506 4.570 40 0 JJABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000257254773 570124635 /nfs/dbraw/zinc/12/46/35/570124635.db2.gz KEOVQOTZXWENMS-SFHVURJKSA-N 0 0 460.925 4.523 40 0 JJABRN CC(C)CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CC[NH+](Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257256504 570125068 /nfs/dbraw/zinc/12/50/68/570125068.db2.gz KLSYMOUOJSOQTE-XMMPIXPASA-N 0 0 452.570 4.606 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409095122 570126258 /nfs/dbraw/zinc/12/62/58/570126258.db2.gz GUSMLYQIFXAIPN-WOJGMQOQSA-N 0 0 478.929 4.952 40 0 JJABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409095495 570126562 /nfs/dbraw/zinc/12/65/62/570126562.db2.gz CVKJGFASPXINDY-UHFFFAOYSA-N 0 0 459.413 4.999 40 0 JJABRN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccccc2Br)C1 ZINC000257261628 570126872 /nfs/dbraw/zinc/12/68/72/570126872.db2.gz LIECPDPIKAVSOF-JWQCQUIFSA-N 0 0 495.417 4.833 40 0 JJABRN C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CCC(=O)N(CCO)Cc3ccncc3)ccc2O1 ZINC000257262209 570127048 /nfs/dbraw/zinc/12/70/48/570127048.db2.gz LKPAAWAYTQCMPU-MHZLTWQESA-N 0 0 482.983 4.764 40 0 JJABRN Cc1nc(C)c(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)s1 ZINC000257262459 570127245 /nfs/dbraw/zinc/12/72/45/570127245.db2.gz LLLQRQHOAUEJKE-UPVQGACJSA-N 0 0 477.630 4.718 40 0 JJABRN CCCCC[C@]1(O)CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257263480 570127469 /nfs/dbraw/zinc/12/74/69/570127469.db2.gz LQBQOCSZZFYKIV-DHLKQENFSA-N 0 0 471.598 4.839 40 0 JJABRN 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570129311 /nfs/dbraw/zinc/12/93/11/570129311.db2.gz MODSEMZEOXISIV-FQEVSTJZSA-N 0 0 468.557 4.713 40 0 JJABRN COc1nc(OC)nc(N2CCC3(CC2)CO[C@@H]2c4oc5cc(C)ccc5c4CC(C)(C)[C@H]2C3)n1 ZINC000257269137 570129446 /nfs/dbraw/zinc/12/94/46/570129446.db2.gz MOSNWLZOBXQNEG-UGKGYDQZSA-N 0 0 478.593 4.890 40 0 JJABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 ZINC000257271687 570130194 /nfs/dbraw/zinc/13/01/94/570130194.db2.gz MZJOGHAEWHNCMD-JOCHJYFZSA-N 0 0 471.601 4.721 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1 ZINC000409106377 570130302 /nfs/dbraw/zinc/13/03/02/570130302.db2.gz NEZOBFBTYGLVSO-XDHOZWIPSA-N 0 0 490.965 4.821 40 0 JJABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000409108077 570130948 /nfs/dbraw/zinc/13/09/48/570130948.db2.gz RRSRVNAFBGOXMB-FHXOWUIVSA-N 0 0 476.348 4.626 40 0 JJABRN CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257276375 570131542 /nfs/dbraw/zinc/13/15/42/570131542.db2.gz 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RSMMQLOGXAHPKZ-NHDPSOOVSA-N 0 0 473.522 4.649 40 0 JJABRN O=C(CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O)Nc1ccccc1F ZINC000409215442 570172187 /nfs/dbraw/zinc/17/21/87/570172187.db2.gz YUUSQHGUSCSMGP-WOJGMQOQSA-N 0 0 471.897 4.755 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409217895 570173328 /nfs/dbraw/zinc/17/33/28/570173328.db2.gz YFAVZGCIFQMEAD-WSDLNYQXSA-N 0 0 469.559 4.818 40 0 JJABRN CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cccc1OC ZINC000409222409 570174874 /nfs/dbraw/zinc/17/48/74/570174874.db2.gz CDZBZPICXFLERH-RQZCQDPDSA-N 0 0 464.902 4.561 40 0 JJABRN CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OC ZINC000409223455 570175228 /nfs/dbraw/zinc/17/52/28/570175228.db2.gz HTDHGAAQOPGCKJ-YBFXNURJSA-N 0 0 476.348 4.776 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Br)cc1F ZINC000409225803 570175893 /nfs/dbraw/zinc/17/58/93/570175893.db2.gz LHIFHHWTRLJUEK-UHFFFAOYSA-N 0 0 491.382 4.638 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409226623 570176070 /nfs/dbraw/zinc/17/60/70/570176070.db2.gz VGYKRAFORZNDFN-VIZOYTHASA-N 0 0 469.719 4.917 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000409229388 570177079 /nfs/dbraw/zinc/17/70/79/570177079.db2.gz OKEWPAPBIOVPBA-RQZCQDPDSA-N 0 0 464.902 4.561 40 0 JJABRN COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409230276 570177623 /nfs/dbraw/zinc/17/76/23/570177623.db2.gz BSTMWNDDQHPWBP-XDHOZWIPSA-N 0 0 478.929 4.569 40 0 JJABRN O=C(NCc1ccc(F)cc1F)c1nc(-c2cnc(NCc3ccccn3)s2)n2ccccc12 ZINC000306132582 570178223 /nfs/dbraw/zinc/17/82/23/570178223.db2.gz LMVKWBFJYZLIBN-UHFFFAOYSA-N 0 0 476.512 4.673 40 0 JJABRN Cc1ccc(N2CCN(C(=O)c3nc(-c4ccn(Cc5cccnc5)c4)n4ccccc34)CC2)cc1 ZINC000306133868 570178470 /nfs/dbraw/zinc/17/84/70/570178470.db2.gz MYCQRVGSBXAWHC-UHFFFAOYSA-N 0 0 476.584 4.517 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000328961909 570179561 /nfs/dbraw/zinc/17/95/61/570179561.db2.gz BEOAIWCHOXZXEK-QGZVFWFLSA-N 0 0 467.879 5.263 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328964236 570179697 /nfs/dbraw/zinc/17/96/97/570179697.db2.gz BUDIFQIHJLJONT-GOSISDBHSA-N 0 0 496.331 5.492 40 0 JJABRN Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000328964568 570179681 /nfs/dbraw/zinc/17/96/81/570179681.db2.gz BVXOKZDXRZZXMA-NRFANRHFSA-N 0 0 460.500 5.392 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328964238 570179703 /nfs/dbraw/zinc/17/97/03/570179703.db2.gz BUDIFQIHJLJONT-SFHVURJKSA-N 0 0 496.331 5.492 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328983586 570180539 /nfs/dbraw/zinc/18/05/39/570180539.db2.gz HHENIVMELUYRBP-OAQYLSRUSA-N 0 0 460.500 5.126 40 0 JJABRN CCCN1C(=O)S/C(=C/c2cc(I)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000409237918 570180636 /nfs/dbraw/zinc/18/06/36/570180636.db2.gz JKIMFNLSZWGIRC-KBVGCWLLSA-N 0 0 475.348 4.923 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409238016 570180677 /nfs/dbraw/zinc/18/06/77/570180677.db2.gz YOPOEQWZRZOIHG-LICLKQGHSA-N 0 0 479.758 4.993 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccnc2)n1 ZINC000328991881 570180733 /nfs/dbraw/zinc/18/07/33/570180733.db2.gz ISQOWQKXJSKAMZ-GOSISDBHSA-N 0 0 496.331 5.492 40 0 JJABRN CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328993028 570180841 /nfs/dbraw/zinc/18/08/41/570180841.db2.gz IXQXTKGJOLQCBM-UHFFFAOYSA-N 0 0 471.252 4.963 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328997236 570180939 /nfs/dbraw/zinc/18/09/39/570180939.db2.gz JMYRAKFSIVZIIO-KRWDZBQOSA-N 0 0 451.880 5.383 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329002252 570181058 /nfs/dbraw/zinc/18/10/58/570181058.db2.gz KHBDBAANIGJNBG-GOSISDBHSA-N 0 0 451.880 5.383 40 0 JJABRN CC(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)n1 ZINC000329002263 570181085 /nfs/dbraw/zinc/18/10/85/570181085.db2.gz KHGAQBJJAWPACJ-UHFFFAOYSA-N 0 0 464.738 4.809 40 0 JJABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(C)c1 ZINC000409239184 570181181 /nfs/dbraw/zinc/18/11/81/570181181.db2.gz CIMAJVYELHEABA-UHFFFAOYSA-N 0 0 450.604 4.704 40 0 JJABRN Cc1ccc(NC(=O)COc2ccccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409239463 570181288 /nfs/dbraw/zinc/18/12/88/570181288.db2.gz MXINNYJPTIRTMI-KGENOOAVSA-N 0 0 461.905 4.763 40 0 JJABRN CNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329007249 570181332 /nfs/dbraw/zinc/18/13/32/570181332.db2.gz LKBNXUIQWJUNEO-UHFFFAOYSA-N 0 0 458.362 4.699 40 0 JJABRN OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329006268 570181370 /nfs/dbraw/zinc/18/13/70/570181370.db2.gz LBPXDJOPDZLZOV-UHFFFAOYSA-N 0 0 456.390 4.563 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O ZINC000409241266 570182027 /nfs/dbraw/zinc/18/20/27/570182027.db2.gz JXRAYNLZRBQROA-NPRIEWAGSA-N 0 0 455.942 4.611 40 0 JJABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409242892 570182686 /nfs/dbraw/zinc/18/26/86/570182686.db2.gz WNVXCOZXNTWXMA-UDWIEESQSA-N 0 0 495.894 4.603 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000409242954 570182746 /nfs/dbraw/zinc/18/27/46/570182746.db2.gz PXZRUTQRULAYLU-UHFFFAOYSA-N 0 0 476.642 4.579 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1OC(C)C ZINC000409242865 570182751 /nfs/dbraw/zinc/18/27/51/570182751.db2.gz PJXZHERPNKSAJA-GIJQJNRQSA-N 0 0 478.929 4.950 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329039791 570182783 /nfs/dbraw/zinc/18/27/83/570182783.db2.gz SAJWMCIBFYYVNW-FQEVSTJZSA-N 0 0 482.453 5.361 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329040155 570182789 /nfs/dbraw/zinc/18/27/89/570182789.db2.gz SAJWMCIBFYYVNW-HXUWFJFHSA-N 0 0 482.453 5.361 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329057828 570183281 /nfs/dbraw/zinc/18/32/81/570183281.db2.gz WAKFBYYZBBQUMV-CQSZACIVSA-N 0 0 462.472 4.857 40 0 JJABRN Fc1cc(I)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000329058989 570183293 /nfs/dbraw/zinc/18/32/93/570183293.db2.gz WESKDHGWJUURRR-UHFFFAOYSA-N 0 0 480.247 4.571 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Br)c3)nc(NC3CC3)n2)c1 ZINC000329070909 570184033 /nfs/dbraw/zinc/18/40/33/570184033.db2.gz ZLBLZISYWRZNAV-UHFFFAOYSA-N 0 0 479.300 4.835 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)ccc1OC(C)C ZINC000409248007 570184973 /nfs/dbraw/zinc/18/49/73/570184973.db2.gz JJWKPNVRBNULTA-YBFXNURJSA-N 0 0 460.939 4.811 40 0 JJABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)cc1 ZINC000409250149 570185535 /nfs/dbraw/zinc/18/55/35/570185535.db2.gz PWMKWFNIIKSTOD-FYJGNVAPSA-N 0 0 494.500 4.937 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)cc1 ZINC000409250641 570185615 /nfs/dbraw/zinc/18/56/15/570185615.db2.gz XRYSGELZXOPAAF-OEAKJJBVSA-N 0 0 475.570 4.837 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(Br)cc1F ZINC000408526469 570185980 /nfs/dbraw/zinc/18/59/80/570185980.db2.gz BMXKHJSQQRAQRN-UHFFFAOYSA-N 0 0 497.317 4.546 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)c1 ZINC000409259009 570187208 /nfs/dbraw/zinc/18/72/08/570187208.db2.gz WMXVVHNRQVYLHW-UHFFFAOYSA-N 0 0 477.007 4.558 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1cccc(Cl)c1Cl ZINC000408531372 570188151 /nfs/dbraw/zinc/18/81/51/570188151.db2.gz MVWBGGJEHWQWKS-UHFFFAOYSA-N 0 0 477.369 4.762 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000409264698 570188161 /nfs/dbraw/zinc/18/81/61/570188161.db2.gz PIYNCGOMUNODSU-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000409265141 570188185 /nfs/dbraw/zinc/18/81/85/570188185.db2.gz SKFWCBODJLPSJZ-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000408533384 570189054 /nfs/dbraw/zinc/18/90/54/570189054.db2.gz QLPGIXRJIJDXJG-LJQANCHMSA-N 0 0 452.601 4.877 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 ZINC000408533348 570189067 /nfs/dbraw/zinc/18/90/67/570189067.db2.gz QJPHMYUDXDFNTL-UHFFFAOYSA-N 0 0 465.015 4.875 40 0 JJABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000409270424 570189162 /nfs/dbraw/zinc/18/91/62/570189162.db2.gz FUQCRUIKATZHCC-UHFFFAOYSA-N 0 0 486.546 4.858 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000408533986 570189392 /nfs/dbraw/zinc/18/93/92/570189392.db2.gz RUVPPXXUJZVSHV-UHFFFAOYSA-N 0 0 477.797 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1C ZINC000408535743 570190073 /nfs/dbraw/zinc/19/00/73/570190073.db2.gz WEUZJCPISKCDJR-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408542932 570191947 /nfs/dbraw/zinc/19/19/47/570191947.db2.gz LTIXWAZWXRSVHH-UHFFFAOYSA-N 0 0 487.423 4.734 40 0 JJABRN CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C1=O ZINC000408543786 570192187 /nfs/dbraw/zinc/19/21/87/570192187.db2.gz SZRGRTUTVUHECD-KQWNVCNZSA-N 0 0 480.586 4.957 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)c1C ZINC000408543884 570192252 /nfs/dbraw/zinc/19/22/52/570192252.db2.gz FUFZLYILRPFQQQ-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000408544074 570192303 /nfs/dbraw/zinc/19/23/03/570192303.db2.gz GXDFQSRTYGXXJZ-UHFFFAOYSA-N 0 0 483.348 4.975 40 0 JJABRN COC(=O)c1cccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)c3ccccc32)c1 ZINC000408544123 570192379 /nfs/dbraw/zinc/19/23/79/570192379.db2.gz UVGWLFLTVYPAKP-MYYYXRDXSA-N 0 0 479.536 4.878 40 0 JJABRN Cc1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)ccc1Br ZINC000408544281 570192420 /nfs/dbraw/zinc/19/24/20/570192420.db2.gz DVJXHVQFBAQTLY-UHFFFAOYSA-N 0 0 498.200 4.742 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000408545721 570192965 /nfs/dbraw/zinc/19/29/65/570192965.db2.gz MZJDASGCVBGIAB-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)c(C)c1 ZINC000408546098 570193214 /nfs/dbraw/zinc/19/32/14/570193214.db2.gz CFBYHDPXRDPIKV-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3ccccc3)n2)cc1OC ZINC000408546203 570193237 /nfs/dbraw/zinc/19/32/37/570193237.db2.gz FAHCUUPZBZQZKG-UHFFFAOYSA-N 0 0 463.481 4.588 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000408546599 570193474 /nfs/dbraw/zinc/19/34/74/570193474.db2.gz FOCGLNZINZGODG-SANMLTNESA-N 0 0 496.032 4.978 40 0 JJABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408547610 570193846 /nfs/dbraw/zinc/19/38/46/570193846.db2.gz JWEGOJRYVMFFBU-VWLOTQADSA-N 0 0 482.005 4.670 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCC1=CCCCC1 ZINC000408550172 570194882 /nfs/dbraw/zinc/19/48/82/570194882.db2.gz AVIUSYHAYWTREQ-UHFFFAOYSA-N 0 0 482.524 4.892 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408553699 570195970 /nfs/dbraw/zinc/19/59/70/570195970.db2.gz QECSCUCUCFVWIZ-UHFFFAOYSA-N 0 0 452.576 4.614 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000408553798 570196017 /nfs/dbraw/zinc/19/60/17/570196017.db2.gz BFZGRJJARAQXHR-UHFFFAOYSA-N 0 0 470.616 4.934 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408555213 570196745 /nfs/dbraw/zinc/19/67/45/570196745.db2.gz FJCNRDFEMRLYKK-SFHVURJKSA-N 0 0 462.493 4.898 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 ZINC000408555342 570196856 /nfs/dbraw/zinc/19/68/56/570196856.db2.gz AKQCGNJZQZVPDV-UHFFFAOYSA-N 0 0 468.428 4.663 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408555965 570197066 /nfs/dbraw/zinc/19/70/66/570197066.db2.gz YDULVRATJGLLTB-UHFFFAOYSA-N 0 0 479.440 4.920 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1C ZINC000408555990 570197113 /nfs/dbraw/zinc/19/71/13/570197113.db2.gz YMZPKLQHALASDN-UHFFFAOYSA-N 0 0 489.391 4.884 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408556304 570197294 /nfs/dbraw/zinc/19/72/94/570197294.db2.gz HNRBOSJYLKOGCU-UHFFFAOYSA-N 0 0 452.866 4.680 40 0 JJABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000408556270 570197327 /nfs/dbraw/zinc/19/73/27/570197327.db2.gz INXUBEOVKFKYHD-UHFFFAOYSA-N 0 0 453.322 4.967 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000408556532 570197540 /nfs/dbraw/zinc/19/75/40/570197540.db2.gz DJRZFQLFHWVAPI-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408557329 570198206 /nfs/dbraw/zinc/19/82/06/570198206.db2.gz MRZUIDXSOAQUQI-JTQLQIEISA-N 0 0 455.285 4.805 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 ZINC000408557692 570198416 /nfs/dbraw/zinc/19/84/16/570198416.db2.gz OHMWJOPZHAZSTL-UHFFFAOYSA-N 0 0 485.311 4.718 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C2)c(C)c1 ZINC000408557655 570198490 /nfs/dbraw/zinc/19/84/90/570198490.db2.gz HBRBRWWDUWHPFK-INIZCTEOSA-N 0 0 483.403 4.553 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000408558034 570198743 /nfs/dbraw/zinc/19/87/43/570198743.db2.gz HXPHGISHUFRKBQ-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000408558402 570198961 /nfs/dbraw/zinc/19/89/61/570198961.db2.gz RJYDKTWCQRTYDC-UHFFFAOYSA-N 0 0 492.641 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558365 570198976 /nfs/dbraw/zinc/19/89/76/570198976.db2.gz QXWNNWVRHYCBFD-UHFFFAOYSA-N 0 0 452.866 4.680 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000408558934 570199290 /nfs/dbraw/zinc/19/92/90/570199290.db2.gz KOQJWIKVRWMSAT-KRWDZBQOSA-N 0 0 458.967 4.541 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559297 570199691 /nfs/dbraw/zinc/19/96/91/570199691.db2.gz WLIISQWWANBZCJ-UHFFFAOYSA-N 0 0 472.950 4.994 40 0 JJABRN COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000408559424 570199779 /nfs/dbraw/zinc/19/97/79/570199779.db2.gz VLYRYHIJXCQZQJ-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)cc1C ZINC000408560060 570200198 /nfs/dbraw/zinc/20/01/98/570200198.db2.gz ZWVMYRPULIKPRP-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)c1ccccc1 ZINC000408560522 570200405 /nfs/dbraw/zinc/20/04/05/570200405.db2.gz DBSLWOKMSFGDQX-SFHVURJKSA-N 0 0 485.005 4.738 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)Nc1cccc(Cl)c1 ZINC000408560523 570200445 /nfs/dbraw/zinc/20/04/45/570200445.db2.gz DBVKMXDGLBZRNE-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000409317944 570200510 /nfs/dbraw/zinc/20/05/10/570200510.db2.gz SUUPILOMCZKRKL-INIZCTEOSA-N 0 0 474.966 4.934 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409318288 570200652 /nfs/dbraw/zinc/20/06/52/570200652.db2.gz VJWXKDSOVLDBFC-MRXNPFEDSA-N 0 0 457.423 4.798 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)c1ccccc1F ZINC000408561161 570200775 /nfs/dbraw/zinc/20/07/75/570200775.db2.gz RBFCISXPOQJZSB-UHFFFAOYSA-N 0 0 450.438 4.556 40 0 JJABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl ZINC000408561371 570201040 /nfs/dbraw/zinc/20/10/40/570201040.db2.gz ILNMGOYJRBTYGQ-UHFFFAOYSA-N 0 0 462.930 4.914 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000408561608 570201197 /nfs/dbraw/zinc/20/11/97/570201197.db2.gz UCLOMFQPLQSBRS-MRXNPFEDSA-N 0 0 474.966 4.755 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 ZINC000408561528 570201198 /nfs/dbraw/zinc/20/11/98/570201198.db2.gz JFUCHFQYHKANMO-GOSISDBHSA-N 0 0 465.015 4.731 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1 ZINC000409321004 570201284 /nfs/dbraw/zinc/20/12/84/570201284.db2.gz GFGHXEIOWNMFTE-UHFFFAOYSA-N 0 0 491.382 4.985 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000409322281 570201372 /nfs/dbraw/zinc/20/13/72/570201372.db2.gz JQFKJILVWWRLRN-UHFFFAOYSA-N 0 0 461.436 4.896 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC000408561858 570201408 /nfs/dbraw/zinc/20/14/08/570201408.db2.gz WDKXQIDBXRFBOZ-AWEZNQCLSA-N 0 0 490.931 4.797 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1Cl ZINC000408562055 570201508 /nfs/dbraw/zinc/20/15/08/570201508.db2.gz XLQYHOBABUOQCJ-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000408562681 570201849 /nfs/dbraw/zinc/20/18/49/570201849.db2.gz RIQJKEMAPDFYGX-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409326620 570202279 /nfs/dbraw/zinc/20/22/79/570202279.db2.gz CPCBKUJHPCLRIL-UHFFFAOYSA-N 0 0 483.348 4.975 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1ccccc1Br ZINC000409331220 570204320 /nfs/dbraw/zinc/20/43/20/570204320.db2.gz MUBHAHZRHJIJFB-OQLLNIDSSA-N 0 0 451.729 4.778 40 0 JJABRN COc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)c1 ZINC000408572932 570205053 /nfs/dbraw/zinc/20/50/53/570205053.db2.gz AOFMYAKDLDBLBP-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN Cc1ccccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)Nc1ccccc1 ZINC000408572812 570205071 /nfs/dbraw/zinc/20/50/71/570205071.db2.gz ALKVDCPTFMPXFG-UHFFFAOYSA-N 0 0 491.345 4.673 40 0 JJABRN CCc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(OC)cc3)cc3cc(Cl)ccc32)cc1 ZINC000408573487 570205206 /nfs/dbraw/zinc/20/52/06/570205206.db2.gz BMKYLXBCMXAHGP-UHFFFAOYSA-N 0 0 490.947 4.827 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 ZINC000408575650 570205715 /nfs/dbraw/zinc/20/57/15/570205715.db2.gz FFVNQUWQNDKELW-JOCHJYFZSA-N 0 0 485.584 4.569 40 0 JJABRN CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408575694 570205733 /nfs/dbraw/zinc/20/57/33/570205733.db2.gz FIQHDQYHVXBWJW-UHFFFAOYSA-N 0 0 494.910 4.794 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3C)cc3cc(Cl)ccc32)cc1 ZINC000408576258 570205836 /nfs/dbraw/zinc/20/58/36/570205836.db2.gz GBHATVVXCNJRCD-UHFFFAOYSA-N 0 0 488.975 4.859 40 0 JJABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408577934 570206227 /nfs/dbraw/zinc/20/62/27/570206227.db2.gz JMIDFUQLOHOWOA-QGZVFWFLSA-N 0 0 482.367 4.915 40 0 JJABRN COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)cc3C)cc3cc(Cl)ccc32)cc1 ZINC000408578048 570206232 /nfs/dbraw/zinc/20/62/32/570206232.db2.gz KCUVMYVCSZEEMN-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2OC)cc1 ZINC000408578801 570206420 /nfs/dbraw/zinc/20/64/20/570206420.db2.gz BASFFYJURKSIAU-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1OC ZINC000408578874 570206429 /nfs/dbraw/zinc/20/64/29/570206429.db2.gz BHSGWOHIIBQNFD-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000408580063 570206505 /nfs/dbraw/zinc/20/65/05/570206505.db2.gz PUOCHNUIALPXQG-XMMPIXPASA-N 0 0 499.611 4.805 40 0 JJABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408580139 570206556 /nfs/dbraw/zinc/20/65/56/570206556.db2.gz QFGSQUWTPDHBPX-IBGZPJMESA-N 0 0 495.501 4.670 40 0 JJABRN COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3)cc3cc(Cl)ccc32)cc1 ZINC000408580769 570206611 /nfs/dbraw/zinc/20/66/11/570206611.db2.gz 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/nfs/dbraw/zinc/35/79/39/195357939.db2.gz CWYULWNPPUNHRE-UHFFFAOYSA-N 0 0 468.605 4.554 40 0 JJABRN O=C(CSc1nnc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)n1)c1ccc(F)c(F)c1 ZINC000057761794 195359532 /nfs/dbraw/zinc/35/95/32/195359532.db2.gz JCIFZZWHGGEMNF-UHFFFAOYSA-N 0 0 451.454 4.870 40 0 JJABRN O=c1/c(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)sc2nc3ccccc3n12 ZINC000058822144 195380430 /nfs/dbraw/zinc/38/04/30/195380430.db2.gz XLSRAEORHDMMNT-MTJSOVHGSA-N 0 0 481.346 4.938 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc(F)c3)CC2)cc1 ZINC000021576766 195315435 /nfs/dbraw/zinc/31/54/35/195315435.db2.gz QALSEEFHOPDNKF-UHFFFAOYSA-N 0 0 487.984 4.551 40 0 JJABRN COc1cc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc(OC)c1OC ZINC000021581233 195317313 /nfs/dbraw/zinc/31/73/13/195317313.db2.gz FGZAQYFCLUWPDD-UHFFFAOYSA-N 0 0 464.562 4.837 40 0 JJABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n31)c1ccccc1CC2 ZINC000058856359 195385364 /nfs/dbraw/zinc/38/53/64/195385364.db2.gz NAGIBWUWUVFRQY-MKWGYRPRSA-N 0 0 485.008 4.981 40 0 JJABRN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099161 195387431 /nfs/dbraw/zinc/38/74/31/195387431.db2.gz DLBIWJNYLRVOGL-UHFFFAOYSA-N 0 0 459.369 4.661 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000059427845 195401552 /nfs/dbraw/zinc/40/15/52/195401552.db2.gz FJSPXAXEEKOEOJ-FQWPPLDYSA-N 0 0 495.044 4.749 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224829933 195463133 /nfs/dbraw/zinc/46/31/33/195463133.db2.gz YOIKJPUUVVETMQ-IBGZPJMESA-N 0 0 454.567 4.769 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 ZINC000224834703 195464102 /nfs/dbraw/zinc/46/41/02/195464102.db2.gz WTSZGCZNGKKMIO-DNQXCXABSA-N 0 0 460.559 4.719 40 0 JJABRN CCc1cccc(C)c1N(CCCC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000224844172 195466325 /nfs/dbraw/zinc/46/63/25/195466325.db2.gz YBDMVKPXCDSVHO-UHFFFAOYSA-N 0 0 450.604 4.994 40 0 JJABRN CCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc(COC)c2)cc1)S(C)(=O)=O ZINC000224845907 195466725 /nfs/dbraw/zinc/46/67/25/195466725.db2.gz CIRIZSSESPTDLN-UHFFFAOYSA-N 0 0 466.603 4.922 40 0 JJABRN CC(=O)c1cccc(N(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c1 ZINC000224850912 195467833 /nfs/dbraw/zinc/46/78/33/195467833.db2.gz BHFYWAGBKWKHHU-UHFFFAOYSA-N 0 0 464.543 4.974 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 ZINC000224858701 195469042 /nfs/dbraw/zinc/46/90/42/195469042.db2.gz HHSQDADUASVSBZ-UHFFFAOYSA-N 0 0 464.465 4.728 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000224879082 195473607 /nfs/dbraw/zinc/47/36/07/195473607.db2.gz ATFOYTYYKVNQQY-DEOSSOPVSA-N 0 0 456.652 4.816 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408635904 195487172 /nfs/dbraw/zinc/48/71/72/195487172.db2.gz JITJYMBMEWDUAN-UHFFFAOYSA-N 0 0 478.929 4.696 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1O ZINC000409050986 195501173 /nfs/dbraw/zinc/50/11/73/195501173.db2.gz GAHVMRGROXWKND-BOPFTXTBSA-N 0 0 482.327 4.808 40 0 JJABRN Brc1ccc(C2=Nc3ccccc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 ZINC000012497775 518209379 /nfs/dbraw/zinc/20/93/79/518209379.db2.gz SULSUKMLMKZEBI-UHFFFAOYSA-N 0 0 461.363 4.720 40 0 JJABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3c(F)cc(F)cc3Br)n2N)cc1 ZINC000016755836 519009773 /nfs/dbraw/zinc/00/97/73/519009773.db2.gz RFUVICOSQVIRFK-UHFFFAOYSA-N 0 0 496.381 4.728 40 0 JJABRN CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000016323234 519038551 /nfs/dbraw/zinc/03/85/51/519038551.db2.gz SPMHCHUKMYXQIY-UHFFFAOYSA-N 0 0 495.567 4.732 40 0 JJABRN CC(C)(C)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000012474319 519044200 /nfs/dbraw/zinc/04/42/00/519044200.db2.gz GJRBMWBAZGGTRQ-UHFFFAOYSA-N 0 0 482.602 4.688 40 0 JJABRN CC(C)C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000044947359 519391272 /nfs/dbraw/zinc/39/12/72/519391272.db2.gz FHQNATIHNGOQHL-JYFHCDHNSA-N 0 0 478.614 4.688 40 0 JJABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)CO6)O[C@H]5C[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000070691706 519757335 /nfs/dbraw/zinc/75/73/35/519757335.db2.gz QQQWWULPCZSUFF-OZHUBZFRSA-N 0 0 488.665 4.659 40 0 biogenic JJABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020111312 519779277 /nfs/dbraw/zinc/77/92/77/519779277.db2.gz UBNZJVGGQSRKRQ-UHFFFAOYSA-N 0 0 472.994 4.639 40 0 JJABRN CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000020452320 519782960 /nfs/dbraw/zinc/78/29/60/519782960.db2.gz WPYQCXYMKOZOCU-UHFFFAOYSA-N 0 0 499.460 4.639 40 0 JJABRN CC(C)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000034894924 519835743 /nfs/dbraw/zinc/83/57/43/519835743.db2.gz WMXLXFQGTWIVQL-CMKODMSKSA-N 0 0 458.451 4.917 40 0 JJABRN CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000012484332 519838973 /nfs/dbraw/zinc/83/89/73/519838973.db2.gz SUJVZFKMPJABCA-DEOSSOPVSA-N 0 0 495.645 4.879 40 0 JJABRN CCOCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000006197778 519895850 /nfs/dbraw/zinc/89/58/50/519895850.db2.gz AHSZVGRISDTHPY-UHFFFAOYSA-N 0 0 455.599 4.533 40 0 JJABRN CCCCCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000006472295 520324829 /nfs/dbraw/zinc/32/48/29/520324829.db2.gz ZGKQCFJKJIEJJJ-XMMPIXPASA-N 0 0 478.511 4.975 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000033590300 520489365 /nfs/dbraw/zinc/48/93/65/520489365.db2.gz CNPOMSIAFKMQHT-FQWPPLDYSA-N 0 0 495.044 4.749 40 0 JJABRN CCOC(=O)C1=C(C)N[C@@H]2SC(=Cc3ccc(C)o3)C(=O)N2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000022819025 520506193 /nfs/dbraw/zinc/50/61/93/520506193.db2.gz NIPOMLJBOUNVOW-FMJSOXOOSA-N 0 0 498.601 4.765 40 0 JJABRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(OC)cc1 ZINC000016682612 520544944 /nfs/dbraw/zinc/54/49/44/520544944.db2.gz LPNUWLANWHOHIX-XMMPIXPASA-N 0 0 479.920 4.979 40 0 JJABRN CCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2s1 ZINC000020448102 520681851 /nfs/dbraw/zinc/68/18/51/520681851.db2.gz NPBGOHOACRWOHB-UHFFFAOYSA-N 0 0 467.012 4.918 40 0 JJABRN CCCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006149802 520691716 /nfs/dbraw/zinc/69/17/16/520691716.db2.gz ZESIKEZQTBVTSM-UHFFFAOYSA-N 0 0 451.592 4.550 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500935 520811233 /nfs/dbraw/zinc/81/12/33/520811233.db2.gz LVYYOFWIJSEKTM-DEOSSOPVSA-N 0 0 486.576 4.909 40 0 JJABRN CCOc1ccc(-n2c(Cn3nnc4ccccc43)nn(CC(=O)Nc3cccc(C)c3)c2=S)cc1 ZINC000016769660 520834206 /nfs/dbraw/zinc/83/42/06/520834206.db2.gz PLVANHDXVIHGAG-UHFFFAOYSA-N 0 0 499.600 4.542 40 0 JJABRN CCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002745986 520869706 /nfs/dbraw/zinc/86/97/06/520869706.db2.gz SBEWJSFDDIKKAN-XMMPIXPASA-N 0 0 459.502 4.506 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 ZINC000005946329 520900060 /nfs/dbraw/zinc/90/00/60/520900060.db2.gz HRVYQGQQBJFPFX-UHFFFAOYSA-N 0 0 473.554 4.793 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1Br ZINC000016692147 520903355 /nfs/dbraw/zinc/90/33/55/520903355.db2.gz VNEFVPUZQSRHBM-UHFFFAOYSA-N 0 0 462.413 4.965 40 0 JJABRN CCOc1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OCC ZINC000044904084 520940885 /nfs/dbraw/zinc/94/08/85/520940885.db2.gz KUOAYODBJSWXGA-UHFFFAOYSA-N 0 0 450.501 4.784 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431251 521023545 /nfs/dbraw/zinc/02/35/45/521023545.db2.gz VTQWUFIQPZYPGY-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCSCc3ccccc3F)c2)CC1 ZINC000013613471 521030840 /nfs/dbraw/zinc/03/08/40/521030840.db2.gz TYMOKTUKPIMNGP-UHFFFAOYSA-N 0 0 485.046 4.563 40 0 JJABRN CCCC[C@@H](CC)COC(=O)[C@@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)OC[C@@H](CC)CCCC ZINC000017160809 521035804 /nfs/dbraw/zinc/03/58/04/521035804.db2.gz ZWIJZPXEJBHDLU-JTNNCLKESA-N 0 0 484.630 4.925 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 ZINC000019820561 521093873 /nfs/dbraw/zinc/09/38/73/521093873.db2.gz IFRSXLBQVYEWIB-IZZNHLLZSA-N 0 0 483.568 4.793 40 0 JJABRN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020449593 521116909 /nfs/dbraw/zinc/11/69/09/521116909.db2.gz DAFBXELXZCVOKY-MRXNPFEDSA-N 0 0 454.523 4.617 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1 ZINC000020460576 521132621 /nfs/dbraw/zinc/13/26/21/521132621.db2.gz MLHLKSHATHTFEV-UHFFFAOYSA-N 0 0 474.579 4.897 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3CC)cc2)cc1 ZINC000020483447 521133219 /nfs/dbraw/zinc/13/32/19/521133219.db2.gz UHWJJRFTEJMICU-SFHVURJKSA-N 0 0 468.575 4.855 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3C)cc2)cc1 ZINC000013994829 521134356 /nfs/dbraw/zinc/13/43/56/521134356.db2.gz FSWILMPOLGULDN-QHCPKHFHSA-N 0 0 468.575 4.991 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000016692253 521184857 /nfs/dbraw/zinc/18/48/57/521184857.db2.gz YZOWNZXPSLNYEQ-UHFFFAOYSA-N 0 0 465.786 4.613 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000016692574 521185076 /nfs/dbraw/zinc/18/50/76/521185076.db2.gz FIDQJTAOPGFFDB-UHFFFAOYSA-N 0 0 486.204 4.958 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1 ZINC000020015538 521186880 /nfs/dbraw/zinc/18/68/80/521186880.db2.gz IWXYRLKIMSCZSX-IBGZPJMESA-N 0 0 487.021 4.807 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000020460628 521187078 /nfs/dbraw/zinc/18/70/78/521187078.db2.gz XUZLNJUUJOFJCM-FQEVSTJZSA-N 0 0 484.593 4.914 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl ZINC000022539244 521188054 /nfs/dbraw/zinc/18/80/54/521188054.db2.gz VFQBGOQLKMOSEY-GOSISDBHSA-N 0 0 467.031 4.552 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(F)cc2)cc1 ZINC000020487162 521188550 /nfs/dbraw/zinc/18/85/50/521188550.db2.gz QJVIGBMEGWNNJX-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000020035106 521218570 /nfs/dbraw/zinc/21/85/70/521218570.db2.gz LJCQRVNNTPUGID-OAQYLSRUSA-N 0 0 496.629 4.865 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020455167 521219527 /nfs/dbraw/zinc/21/95/27/521219527.db2.gz CTNVOAADAQAJGN-SJLPKXTDSA-N 0 0 499.460 4.811 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000044901011 521221747 /nfs/dbraw/zinc/22/17/47/521221747.db2.gz DAJYLJDOBXMVHR-GOSISDBHSA-N 0 0 470.566 4.682 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044844995 521254114 /nfs/dbraw/zinc/25/41/14/521254114.db2.gz DNNGVUJAVMHGSH-FUHWJXTLSA-N 0 0 499.460 4.811 40 0 JJABRN CCC(=O)n1c(-c2ccc(OC)cc2)nc2c1SC(c1ccc(F)cc1)=NN2C(=O)CC ZINC000016778021 521259510 /nfs/dbraw/zinc/25/95/10/521259510.db2.gz BFQRFBKBSFFFKJ-UHFFFAOYSA-N 0 0 452.511 4.959 40 0 JJABRN CCC(=O)n1c(-c2ccc(OC)cc2)nc2c1SC(c1ccc(OC)cc1)=NN2C(=O)CC ZINC000016778001 521260851 /nfs/dbraw/zinc/26/08/51/521260851.db2.gz VHFMMDNNKHPFAO-UHFFFAOYSA-N 0 0 464.547 4.828 40 0 JJABRN CCC(=O)n1c(Cc2ccc(OC)cc2)nc2c1SC(c1ccc(F)cc1)=NN2C(=O)CC ZINC000016777877 521262381 /nfs/dbraw/zinc/26/23/81/521262381.db2.gz ZOEYFWBFBBRGTI-UHFFFAOYSA-N 0 0 466.538 4.882 40 0 JJABRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000022747779 521266063 /nfs/dbraw/zinc/26/60/63/521266063.db2.gz RLYYLCSSRISOQS-UHFFFAOYSA-N 0 0 489.601 4.907 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000019820603 521278096 /nfs/dbraw/zinc/27/80/96/521278096.db2.gz FVHRQBBDCDSJHE-RPWUZVMVSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000019820543 521278924 /nfs/dbraw/zinc/27/89/24/521278924.db2.gz FVLNXCQPLIVICX-CLJLJLNGSA-N 0 0 467.569 4.957 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000012484098 521337362 /nfs/dbraw/zinc/33/73/62/521337362.db2.gz UAXVRQDIPQFJEJ-OAQYLSRUSA-N 0 0 488.009 4.804 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000012484104 521346430 /nfs/dbraw/zinc/34/64/30/521346430.db2.gz GEMQMXIOSGXXJO-NRFANRHFSA-N 0 0 488.009 4.804 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCC2(CCCCC2)C1 ZINC000006149292 521373618 /nfs/dbraw/zinc/37/36/18/521373618.db2.gz FJOZBDPBIMHSAD-HSZRJFAPSA-N 0 0 478.641 4.804 40 0 JJABRN CCCCn1c2nnc(SCc3cc(-c4ccccc4OC)no3)n2c2ccccc2c1=O ZINC000026237713 521379611 /nfs/dbraw/zinc/37/96/11/521379611.db2.gz BZCJBMPTFZZPPA-UHFFFAOYSA-N 0 0 461.547 4.800 40 0 JJABRN CCOC(=O)c1c(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)sc2c1CCCC2 ZINC000012413860 521408433 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NLUVDNWCEJHSPM-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 ZINC000020004581 524322918 /nfs/dbraw/zinc/32/29/18/524322918.db2.gz AFRGQJZIXMRHOH-QFIPXVFZSA-N 0 0 474.985 4.933 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1C ZINC000022537664 524331778 /nfs/dbraw/zinc/33/17/78/524331778.db2.gz GIVQEGBZLGRTKB-QHCPKHFHSA-N 0 0 478.658 4.943 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1C ZINC000022537489 524333088 /nfs/dbraw/zinc/33/30/88/524333088.db2.gz STWHDXFCRBVBRX-SFHVURJKSA-N 0 0 479.042 4.742 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022323223 524363477 /nfs/dbraw/zinc/36/34/77/524363477.db2.gz UQBLKKJTPUMWEF-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN Cc1cccc(CN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1C ZINC000013494341 524367648 /nfs/dbraw/zinc/36/76/48/524367648.db2.gz USODWEBSUYEWEB-DEOSSOPVSA-N 0 0 462.619 4.988 40 0 JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccn1C ZINC000012477857 524425063 /nfs/dbraw/zinc/42/50/63/524425063.db2.gz ABLGZRNEGRRJTF-SANMLTNESA-N 0 0 479.646 4.857 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022525425 524434648 /nfs/dbraw/zinc/43/46/48/524434648.db2.gz ZHLZRQZOSGSBGH-UHFFFAOYSA-N 0 0 472.994 4.587 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 ZINC000022716360 524437776 /nfs/dbraw/zinc/43/77/76/524437776.db2.gz YLESWIQIAJALCZ-HNNXBMFYSA-N 0 0 479.627 4.678 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898914 524470768 /nfs/dbraw/zinc/47/07/68/524470768.db2.gz XICZIOJXNYTWMM-OHKPNGHVSA-N 0 0 498.708 4.836 40 0 biogenic,in-vitro JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c(OC)c1 ZINC000016789495 524513957 /nfs/dbraw/zinc/51/39/57/524513957.db2.gz MIJWMSQGMVVTJR-UHFFFAOYSA-N 0 0 481.965 4.731 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892309 524518152 /nfs/dbraw/zinc/51/81/52/524518152.db2.gz ORTRTINBBNJVMN-HSZRJFAPSA-N 0 0 461.493 4.509 40 0 JJABRN COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000027061866 524521050 /nfs/dbraw/zinc/52/10/50/524521050.db2.gz BTTNZSXKSUGDTG-XAYULXIRSA-N 0 0 475.932 4.745 40 0 JJABRN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000020249183 524521266 /nfs/dbraw/zinc/52/12/66/524521266.db2.gz SHBACNISNOEGTA-QHCPKHFHSA-N 0 0 477.948 4.757 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)S(C)(=O)=O)c1 ZINC000013671513 524524676 /nfs/dbraw/zinc/52/46/76/524524676.db2.gz ZYZAJJQGYRTYHW-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1Cc1ccccc1 ZINC000012494081 524600185 /nfs/dbraw/zinc/60/01/85/524600185.db2.gz FANRAUWDHUQLML-UHFFFAOYSA-N 0 0 460.559 4.741 40 0 JJABRN COc1ccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1 ZINC000006136694 524663226 /nfs/dbraw/zinc/66/32/26/524663226.db2.gz UJEDQLGMZGJERF-UHFFFAOYSA-N 0 0 465.575 4.797 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868672 524740577 /nfs/dbraw/zinc/74/05/77/524740577.db2.gz XUQGOSKRDGYMHA-UHFFFAOYSA-N 0 0 459.370 4.621 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022428907 524840599 /nfs/dbraw/zinc/84/05/99/524840599.db2.gz FVTWXMWQJRCKGW-XMMPIXPASA-N 0 0 496.629 4.803 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c(C)c1 ZINC000013506892 524876009 /nfs/dbraw/zinc/87/60/09/524876009.db2.gz RWFJOLNXNNATDG-MHZLTWQESA-N 0 0 487.600 4.768 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013505985 524876264 /nfs/dbraw/zinc/87/62/64/524876264.db2.gz NPPQRWGWUPTMQO-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013507840 524876866 /nfs/dbraw/zinc/87/68/66/524876866.db2.gz CGEQCZSCOVWSDV-SANMLTNESA-N 0 0 473.573 4.541 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000044884401 524892949 /nfs/dbraw/zinc/89/29/49/524892949.db2.gz AEDNQBVIVWXBAL-UHFFFAOYSA-N 0 0 460.958 4.608 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020459364 524893299 /nfs/dbraw/zinc/89/32/99/524893299.db2.gz PNLNKVMONGWMGV-XMMPIXPASA-N 0 0 452.551 4.523 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1C ZINC000020050757 524902421 /nfs/dbraw/zinc/90/24/21/524902421.db2.gz UKLJIXJYLGBZFX-OFVILXPXSA-N 0 0 450.604 4.672 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000020011004 524945710 /nfs/dbraw/zinc/94/57/10/524945710.db2.gz XXXPEVJZXPDJHI-INIZCTEOSA-N 0 0 497.430 4.789 40 0 JJABRN COc1ccc(OCCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)cc1 ZINC000037613821 524954224 /nfs/dbraw/zinc/95/42/24/524954224.db2.gz VADKWCVQTAEISA-CWTOASCOSA-N 0 0 453.538 4.813 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)c1ccc(F)cc1 ZINC000022537496 524970016 /nfs/dbraw/zinc/97/00/16/524970016.db2.gz AMCGDHKBPUXAPA-HNNXBMFYSA-N 0 0 462.930 4.536 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1Cl ZINC000020448132 525006627 /nfs/dbraw/zinc/00/66/27/525006627.db2.gz OCRUHNXRMPBVST-UHFFFAOYSA-N 0 0 490.990 4.911 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1C ZINC000022536141 525012452 /nfs/dbraw/zinc/01/24/52/525012452.db2.gz UAONVXONXPYKES-HSZRJFAPSA-N 0 0 494.657 4.997 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020038804 525021244 /nfs/dbraw/zinc/02/12/44/525021244.db2.gz XTLCTUZHXVBVHG-HHHXNRCGSA-N 0 0 492.641 4.944 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000044948651 525024872 /nfs/dbraw/zinc/02/48/72/525024872.db2.gz AIKWGLNPBLCDNP-UHFFFAOYSA-N 0 0 464.587 4.517 40 0 JJABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044949389 525053638 /nfs/dbraw/zinc/05/36/38/525053638.db2.gz KWNNOPRGXSZDQN-UHFFFAOYSA-N 0 0 493.629 4.587 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539719 525069739 /nfs/dbraw/zinc/06/97/39/525069739.db2.gz GZGLMHAEJYMCGA-NVQXNPDNSA-N 0 0 494.657 4.696 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539726 525070189 /nfs/dbraw/zinc/07/01/89/525070189.db2.gz GZGLMHAEJYMCGA-GJZUVCINSA-N 0 0 494.657 4.696 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1Cl ZINC000020006469 525070481 /nfs/dbraw/zinc/07/04/81/525070481.db2.gz SDWAMPXAUABDRT-QFIPXVFZSA-N 0 0 487.021 4.802 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1I ZINC000030755914 525071587 /nfs/dbraw/zinc/07/15/87/525071587.db2.gz QQBCRGMUGQVPSV-NRFANRHFSA-N 0 0 493.366 4.676 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535787 525099432 /nfs/dbraw/zinc/09/94/32/525099432.db2.gz QQJMCXOPXMWHQN-MRXNPFEDSA-N 0 0 478.948 4.687 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000044899849 525100243 /nfs/dbraw/zinc/10/02/43/525100243.db2.gz CKVKZFDFNPHAQK-OAHLLOKOSA-N 0 0 464.921 4.691 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000022517032 525103177 /nfs/dbraw/zinc/10/31/77/525103177.db2.gz XIXAUYBGNDXBIZ-UHFFFAOYSA-N 0 0 462.980 4.880 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505700 525121999 /nfs/dbraw/zinc/12/19/99/525121999.db2.gz MZQKPSPTSMOPKQ-SANMLTNESA-N 0 0 492.551 4.674 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cc(C)ccc2C)[C@H](C(=O)NC2CCCC2)c2ccco2)no1 ZINC000004411104 525122099 /nfs/dbraw/zinc/12/20/99/525122099.db2.gz FKOIYMOYCMAJCP-SANMLTNESA-N 0 0 492.576 4.745 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020452565 525133045 /nfs/dbraw/zinc/13/30/45/525133045.db2.gz XZBQFQPAQISCFB-HXUWFJFHSA-N 0 0 466.603 4.891 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000020489246 525141400 /nfs/dbraw/zinc/14/14/00/525141400.db2.gz NMMHJEALVXYYPF-QGZVFWFLSA-N 0 0 472.994 4.806 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000022510568 525143457 /nfs/dbraw/zinc/14/34/57/525143457.db2.gz VIBJXBNQRBPUDZ-MRXNPFEDSA-N 0 0 488.993 4.957 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1OC ZINC000020041006 525143661 /nfs/dbraw/zinc/14/36/61/525143661.db2.gz BMVIVLYZNBBYDC-CPJLOUKISA-N 0 0 466.559 4.562 40 0 JJABRN Cc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C(C)(C)C)CC1 ZINC000016780736 525223725 /nfs/dbraw/zinc/22/37/25/525223725.db2.gz SWVWQPIFUKCAEA-UHFFFAOYSA-N 0 0 465.457 4.874 40 0 JJABRN 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Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016293370 525301685 /nfs/dbraw/zinc/30/16/85/525301685.db2.gz LSZYNLKTIXDHBK-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000016293441 525302235 /nfs/dbraw/zinc/30/22/35/525302235.db2.gz GUKBPYQCCREFJF-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 ZINC000016293481 525302782 /nfs/dbraw/zinc/30/27/82/525302782.db2.gz SGRFNNRYURLMPR-UHFFFAOYSA-N 0 0 493.354 4.715 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020049972 525305988 /nfs/dbraw/zinc/30/59/88/525305988.db2.gz MACQKHGVSUIAKO-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000020459806 525347566 /nfs/dbraw/zinc/34/75/66/525347566.db2.gz XJFYJADVLTVHGD-IBGZPJMESA-N 0 0 473.422 4.672 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000020450216 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Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCCC2)cc1 ZINC000013501419 525874127 /nfs/dbraw/zinc/87/41/27/525874127.db2.gz LBWVOSXADRZXOM-AREMUKBSSA-N 0 0 464.610 4.536 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501691 525874415 /nfs/dbraw/zinc/87/44/15/525874415.db2.gz UTXNTWYWSBCHEO-XMMPIXPASA-N 0 0 494.617 4.592 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020107311 525889320 /nfs/dbraw/zinc/88/93/20/525889320.db2.gz UJYAFLSBPJNTCS-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN C[C@@]12CO[C@@H](Cc3ccccc3)O[C@@H]1CC[C@@]1(C)[C@H](CC(=O)NCc3ccccc3)[C@H](O)CC[C@H]21 ZINC000004236910 525915849 /nfs/dbraw/zinc/91/58/49/525915849.db2.gz HIRAUYLEWSKAJO-QQPSDJRRSA-N 0 0 477.645 4.871 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)N1CCC(C)CC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466569 525957180 /nfs/dbraw/zinc/95/71/80/525957180.db2.gz CTAABJKAMFSTEH-ZQALBEJHSA-N 0 0 460.703 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XGXWFHQGLIUOMI-UHFFFAOYSA-N 0 0 454.617 4.814 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020010963 526067639 /nfs/dbraw/zinc/06/76/39/526067639.db2.gz DDOWPEMKGADXNS-SFHVURJKSA-N 0 0 472.607 4.616 40 0 JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466275 526080002 /nfs/dbraw/zinc/08/00/02/526080002.db2.gz ZKBYYGKHQPFYHC-NGJRIMDPSA-N 0 0 480.624 4.700 40 0 biogenic,in-vitro JJABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022537080 526209370 /nfs/dbraw/zinc/20/93/70/526209370.db2.gz SYKQOJOFRYWRBT-HXUWFJFHSA-N 0 0 482.602 4.677 40 0 JJABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022537076 526210828 /nfs/dbraw/zinc/21/08/28/526210828.db2.gz SYKQOJOFRYWRBT-FQEVSTJZSA-N 0 0 482.602 4.677 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2nn(-c3cccc4ccccc43)nc2c1 ZINC000022740787 526216314 /nfs/dbraw/zinc/21/63/14/526216314.db2.gz UVHBQAXHQNJYKM-UHFFFAOYSA-N 0 0 483.553 4.718 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 ZINC000020454065 526238753 /nfs/dbraw/zinc/23/87/53/526238753.db2.gz WQSGKLRRVOYYFA-MRXNPFEDSA-N 0 0 474.966 4.864 40 0 JJABRN Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000016291092 526247333 /nfs/dbraw/zinc/24/73/33/526247333.db2.gz CIAMPJVOOSVYNE-UHFFFAOYSA-N 0 0 495.567 4.866 40 0 JJABRN Cc1nn(Cn2ccc(C(=O)Nc3ccn(Cc4c(Cl)cccc4Cl)n3)n2)c(C)c1Cl ZINC000028231157 526299910 /nfs/dbraw/zinc/29/99/10/526299910.db2.gz HOWCBDOLNWSFEX-UHFFFAOYSA-N 0 0 478.771 4.660 40 0 JJABRN O=C(NCCSC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044884181 526370790 /nfs/dbraw/zinc/37/07/90/526370790.db2.gz PNYUUDARHNSDGH-UHFFFAOYSA-N 0 0 453.029 4.937 40 0 JJABRN O=C(NCCSCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868787 526372320 /nfs/dbraw/zinc/37/23/20/526372320.db2.gz VBCALRMQIKRDTR-CQSZACIVSA-N 0 0 493.503 4.505 40 0 JJABRN 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ZINC000008901713 554795286 /nfs/dbraw/zinc/79/52/86/554795286.db2.gz VSNIMCIVIZEHGU-UHFFFAOYSA-N 0 0 496.405 4.922 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Br)cc(C)c3OC)cc2Cl)CC1 ZINC000008901680 554795309 /nfs/dbraw/zinc/79/53/09/554795309.db2.gz SQOUDZZMRPTVKJ-UHFFFAOYSA-N 0 0 494.817 4.730 40 0 JJABRN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 ZINC000008901856 554795428 /nfs/dbraw/zinc/79/54/28/554795428.db2.gz BOVWJTXQUVRPOQ-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN O=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000008902164 554796090 /nfs/dbraw/zinc/79/60/90/554796090.db2.gz YMVNFEYNCZXTMJ-UHFFFAOYSA-N 0 0 474.344 4.566 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 ZINC000008903801 554798059 /nfs/dbraw/zinc/79/80/59/554798059.db2.gz PWNQTRZUPUWBQV-UHFFFAOYSA-N 0 0 463.968 4.650 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc3ccccc32)CC1 ZINC000008904522 554799107 /nfs/dbraw/zinc/79/91/07/554799107.db2.gz FXZSSWPXAZMIQC-UHFFFAOYSA-N 0 0 495.048 4.925 40 0 JJABRN COCCCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(C)cc1 ZINC000008915606 554809580 /nfs/dbraw/zinc/80/95/80/554809580.db2.gz XWRIHSJZZOYZJX-JWGURIENSA-N 0 0 452.938 4.832 40 0 JJABRN Cc1cn2c(nc1=O)O[C@@H]1C[C@H]2O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000008952196 554835576 /nfs/dbraw/zinc/83/55/76/554835576.db2.gz BNYSGZUWMUNZBM-TWJOJJKGSA-N 0 0 466.537 4.609 40 0 in-vitro JJABRN CCOc1ccc(C(C)(C)C(=O)NN2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 ZINC000008955220 554836817 /nfs/dbraw/zinc/83/68/17/554836817.db2.gz KLRCAXRTGPAACV-CLCOLTQESA-N 0 0 453.542 4.724 40 0 JJABRN COc1ccccc1CNC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000009059407 554878110 /nfs/dbraw/zinc/87/81/10/554878110.db2.gz CRGHPBNJBJLNBX-UHFFFAOYSA-N 0 0 459.493 4.678 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)o2)cc1 ZINC000009062219 554879459 /nfs/dbraw/zinc/87/94/59/554879459.db2.gz ZFMUTDKYUDPTHT-UHFFFAOYSA-N 0 0 478.892 4.912 40 0 JJABRN O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000009062514 554880224 /nfs/dbraw/zinc/88/02/24/554880224.db2.gz WUHCHXLZZNZRRS-NTCAYCPXSA-N 0 0 472.482 4.984 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)nn12 ZINC000009064581 554882685 /nfs/dbraw/zinc/88/26/85/554882685.db2.gz RZZHCVSHHRXZNR-JLHYYAGUSA-N 0 0 462.604 4.811 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cccc(C)c1C ZINC000009064638 554882944 /nfs/dbraw/zinc/88/29/44/554882944.db2.gz CAJHQEFHYULWQA-UHFFFAOYSA-N 0 0 472.202 4.964 40 0 JJABRN CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111283 554898554 /nfs/dbraw/zinc/89/85/54/554898554.db2.gz IANPEITYHOBCRU-MEWSVHOLSA-N 0 0 468.940 4.902 40 0 JJABRN Cc1ccc(COc2cccc(/C=c3/sc4nnc(-c5ccc(Cl)cc5)n4c3=O)c2)cc1 ZINC000009189121 554961250 /nfs/dbraw/zinc/96/12/50/554961250.db2.gz XMBKCEWTEQXKRT-HYARGMPZSA-N 0 0 459.958 4.907 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000009216482 554984798 /nfs/dbraw/zinc/98/47/98/554984798.db2.gz FRXKTFLXEFCHHX-CYXNTTPDSA-N 0 0 488.540 4.631 40 0 JJABRN O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000009266392 555042874 /nfs/dbraw/zinc/04/28/74/555042874.db2.gz MEOYCUVGZUTVGI-ZCNNSNEGSA-N 0 0 475.376 4.666 40 0 JJABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000009535694 555329445 /nfs/dbraw/zinc/32/94/45/555329445.db2.gz DCEFJFJUDIGSBS-GOSISDBHSA-N 0 0 491.386 4.757 40 0 JJABRN CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000009535731 555329513 /nfs/dbraw/zinc/32/95/13/555329513.db2.gz YVAKPHRYHTYYCM-OAQYLSRUSA-N 0 0 454.571 4.797 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1 ZINC000013151140 555358546 /nfs/dbraw/zinc/35/85/46/555358546.db2.gz NYIFEJVVZOGRMM-HSZRJFAPSA-N 0 0 494.617 4.565 40 0 JJABRN O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570725 555368275 /nfs/dbraw/zinc/36/82/75/555368275.db2.gz YIFADFNPUVVDKT-UHFFFAOYSA-N 0 0 460.946 4.857 40 0 JJABRN CCOc1ccc(-n2c3nnc(COC(=O)c4ccc(F)cc4)n3c3cc(Cl)ccc3c2=O)cc1 ZINC000009672568 555395167 /nfs/dbraw/zinc/39/51/67/555395167.db2.gz JYBGJOPUSXJMJL-UHFFFAOYSA-N 0 0 492.894 4.582 40 0 JJABRN NC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]2Oc3ccccc3[C@@H]2O1 ZINC000013410360 555397192 /nfs/dbraw/zinc/39/71/92/555397192.db2.gz GHYPQIOZUXWWCY-BVSLBCMMSA-N 0 0 463.331 4.874 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N([C@@H](C(=O)NC(C)(C)C)c2ccccc2Cl)C(C)(C)C)no1 ZINC000013471047 555402425 /nfs/dbraw/zinc/40/24/25/555402425.db2.gz YDAYPRDVKVZXLT-OAQYLSRUSA-N 0 0 477.005 4.638 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)Cc3ccc(F)cc3)cc2c1 ZINC000013494249 555403889 /nfs/dbraw/zinc/40/38/89/555403889.db2.gz IVDSXEJWZSTQJD-UHFFFAOYSA-N 0 0 496.590 4.716 40 0 JJABRN Cc1ccc(CN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c(C)c1 ZINC000013494338 555404126 /nfs/dbraw/zinc/40/41/26/555404126.db2.gz WOJYPTUFCGMQAY-XMMPIXPASA-N 0 0 462.619 4.988 40 0 JJABRN Cc1cccc(CCN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000013494320 555404168 /nfs/dbraw/zinc/40/41/68/555404168.db2.gz BLZUWWPMMWNKIM-XMMPIXPASA-N 0 0 462.619 4.722 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494707 555405933 /nfs/dbraw/zinc/40/59/33/555405933.db2.gz ONWNZQBXZDRFHU-RUZDIDTESA-N 0 0 482.588 4.926 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495157 555407206 /nfs/dbraw/zinc/40/72/06/555407206.db2.gz HWZLRLLJTSAULL-SANMLTNESA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495899 555409846 /nfs/dbraw/zinc/40/98/46/555409846.db2.gz SVFVEFLHSATXFS-MHZLTWQESA-N 0 0 496.615 4.969 40 0 JJABRN CCc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccco2)C(=O)c2cnccn2)cc1 ZINC000013496827 555412238 /nfs/dbraw/zinc/41/22/38/555412238.db2.gz ACCCKQPWQQUNPY-XMMPIXPASA-N 0 0 458.493 4.794 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497850 555415628 /nfs/dbraw/zinc/41/56/28/555415628.db2.gz NLSNMEOOOMWACR-VWLOTQADSA-N 0 0 482.602 4.730 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497852 555415710 /nfs/dbraw/zinc/41/57/10/555415710.db2.gz SVGGCWMEJMLGSU-SANMLTNESA-N 0 0 493.629 4.532 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1OC ZINC000013497897 555415920 /nfs/dbraw/zinc/41/59/20/555415920.db2.gz PFSWZDYWHVCEAQ-RUZDIDTESA-N 0 0 482.602 4.730 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498445 555420657 /nfs/dbraw/zinc/42/06/57/555420657.db2.gz BCAWPQLXFXWMIY-RSXGOPAZSA-N 0 0 492.668 4.961 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498444 555420784 /nfs/dbraw/zinc/42/07/84/555420784.db2.gz BCAWPQLXFXWMIY-AHWVRZQESA-N 0 0 492.668 4.961 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498631 555422992 /nfs/dbraw/zinc/42/29/92/555422992.db2.gz XOXOOKTWDBIAAQ-DEOSSOPVSA-N 0 0 476.581 4.631 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(=O)(=O)N(C)C)c1 ZINC000009694871 555424837 /nfs/dbraw/zinc/42/48/37/555424837.db2.gz YQSJXFHJJZWYOP-UHFFFAOYSA-N 0 0 464.802 4.515 40 0 JJABRN Cc1cc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498962 555426451 /nfs/dbraw/zinc/42/64/51/555426451.db2.gz KTHVVHRROQYZCZ-RUZDIDTESA-N 0 0 486.576 4.765 40 0 JJABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499022 555427169 /nfs/dbraw/zinc/42/71/69/555427169.db2.gz BBTKXVPWIMYQCZ-WIOPSUGQSA-N 0 0 478.641 4.625 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499093 555428105 /nfs/dbraw/zinc/42/81/05/555428105.db2.gz ITACMDRJWSVYOJ-VWLOTQADSA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500183 555437235 /nfs/dbraw/zinc/43/72/35/555437235.db2.gz TWRBDNIYCYRWAR-RUZDIDTESA-N 0 0 490.608 4.841 40 0 JJABRN COc1ccccc1CN(Cc1cc2cccc(C)c2[nH]c1=O)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500235 555438167 /nfs/dbraw/zinc/43/81/67/555438167.db2.gz NFDJVXAAGACTEZ-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500260 555438619 /nfs/dbraw/zinc/43/86/19/555438619.db2.gz YHOSXKDOMOCYEX-HSZRJFAPSA-N 0 0 478.597 4.661 40 0 JJABRN Cc1cccc2cc(CN(Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500481 555440501 /nfs/dbraw/zinc/44/05/01/555440501.db2.gz CNLMMQHWTACJHD-DEOSSOPVSA-N 0 0 488.617 4.925 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500888 555444742 /nfs/dbraw/zinc/44/47/42/555444742.db2.gz AVQLVFWNECUYQN-XZOQPEGZSA-N 0 0 480.657 4.799 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500895 555445067 /nfs/dbraw/zinc/44/50/67/555445067.db2.gz KPTINNIGSLQSFT-UPVQGACJSA-N 0 0 496.656 4.581 40 0 JJABRN COc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1OC ZINC000013502076 555452761 /nfs/dbraw/zinc/45/27/61/555452761.db2.gz VYTLSVAKSLHFDX-DEOSSOPVSA-N 0 0 479.602 4.997 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)cc1OC ZINC000013502223 555453550 /nfs/dbraw/zinc/45/35/50/555453550.db2.gz ZFAXLDLXKSABFS-HHHXNRCGSA-N 0 0 487.600 4.931 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)cc1OC ZINC000013502235 555453848 /nfs/dbraw/zinc/45/38/48/555453848.db2.gz ZSQJBAMJICWPLU-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN CCc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@H](C)CC5)s1 ZINC000013502541 555455898 /nfs/dbraw/zinc/45/58/98/555455898.db2.gz FFFWMLOKWZSPNZ-LLVKDONJSA-N 0 0 487.680 4.732 40 0 JJABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCNc1nc(C)nc2sc3c(c21)CCCC3 ZINC000013502669 555456513 /nfs/dbraw/zinc/45/65/13/555456513.db2.gz SYWOOZLSTMFXDJ-UHFFFAOYSA-N 0 0 481.025 4.868 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000013502700 555456972 /nfs/dbraw/zinc/45/69/72/555456972.db2.gz FOMAJMGDBGALBY-IAGOWNOFSA-N 0 0 470.668 4.915 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013504189 555462972 /nfs/dbraw/zinc/46/29/72/555462972.db2.gz CDDKSMKMVREUDX-QHCPKHFHSA-N 0 0 499.059 4.709 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505707 555467764 /nfs/dbraw/zinc/46/77/64/555467764.db2.gz PNWFOUKUPRABTM-HHHXNRCGSA-N 0 0 488.588 4.531 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)no1 ZINC000013505751 555468081 /nfs/dbraw/zinc/46/80/81/555468081.db2.gz XPGDBRXHBFKMGA-RUZDIDTESA-N 0 0 486.588 4.516 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000013505986 555469042 /nfs/dbraw/zinc/46/90/42/555469042.db2.gz NPPQRWGWUPTMQO-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2)o1 ZINC000013506015 555469334 /nfs/dbraw/zinc/46/93/34/555469334.db2.gz ROCJAJZYJGJBFU-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cc(C)cc(C)c2)o1 ZINC000013506027 555469360 /nfs/dbraw/zinc/46/93/60/555469360.db2.gz QYDGBBCBTYVHLT-RUZDIDTESA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cc(C)ccc2C)o1 ZINC000013506024 555469363 /nfs/dbraw/zinc/46/93/63/555469363.db2.gz MGJVPDQYESDQFP-VWLOTQADSA-N 0 0 493.629 4.829 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506119 555469788 /nfs/dbraw/zinc/46/97/88/555469788.db2.gz POMAGKRSCXBUKO-HSZRJFAPSA-N 0 0 499.633 4.507 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506191 555470279 /nfs/dbraw/zinc/47/02/79/555470279.db2.gz ANOXODUDJMVTFG-AREMUKBSSA-N 0 0 489.641 4.874 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(F)cc2)cc1 ZINC000013506235 555470614 /nfs/dbraw/zinc/47/06/14/555470614.db2.gz IAXLQCBNTDTIQJ-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(F)cc2)o1 ZINC000013506387 555471325 /nfs/dbraw/zinc/47/13/25/555471325.db2.gz JORPSMJCOCXWOD-DEOSSOPVSA-N 0 0 497.592 4.742 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506446 555471629 /nfs/dbraw/zinc/47/16/29/555471629.db2.gz VKVKBHQTOIINGY-HSZRJFAPSA-N 0 0 499.633 4.902 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506428 555471654 /nfs/dbraw/zinc/47/16/54/555471654.db2.gz BNWWTVOOLSNYHX-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506448 555471677 /nfs/dbraw/zinc/47/16/77/555471677.db2.gz BUNYHLHGWPQOOM-XMMPIXPASA-N 0 0 495.670 4.758 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1C ZINC000013506603 555472661 /nfs/dbraw/zinc/47/26/61/555472661.db2.gz UMQCUDNIYBLXQD-AREMUKBSSA-N 0 0 491.563 4.599 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506742 555473729 /nfs/dbraw/zinc/47/37/29/555473729.db2.gz HZRAKIQMDHKJOF-QFIPXVFZSA-N 0 0 485.993 4.558 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000013506765 555473740 /nfs/dbraw/zinc/47/37/40/555473740.db2.gz KUQZPUJYUVGXQF-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN O=C(NCC(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1ccco1 ZINC000013507400 555476012 /nfs/dbraw/zinc/47/60/12/555476012.db2.gz FWYHEGFIBRBHQN-DEOSSOPVSA-N 0 0 497.954 4.635 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013507739 555477027 /nfs/dbraw/zinc/47/70/27/555477027.db2.gz STCSWEINTAGQGB-RUZDIDTESA-N 0 0 493.629 4.857 40 0 JJABRN O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013561730 555494810 /nfs/dbraw/zinc/49/48/10/555494810.db2.gz JMJKSBWVDYJUPM-UHFFFAOYSA-N 0 0 456.736 4.806 40 0 JJABRN C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000013562363 555496755 /nfs/dbraw/zinc/49/67/55/555496755.db2.gz KSDBOORIINVUIM-KDURUIRLSA-N 0 0 462.619 4.507 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@@H](C)O)cc4)cc3N2)cc1 ZINC000009780622 555500235 /nfs/dbraw/zinc/50/02/35/555500235.db2.gz DCVRCVVTEFZOJA-YHBQJITHSA-N 0 0 460.456 4.858 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@H](C)O)cc4)cc3N2)cc1 ZINC000009780618 555500243 /nfs/dbraw/zinc/50/02/43/555500243.db2.gz DCVRCVVTEFZOJA-VIZZQPHQSA-N 0 0 460.456 4.858 40 0 JJABRN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1 ZINC000013566983 555503738 /nfs/dbraw/zinc/50/37/38/555503738.db2.gz LGASILLQDZMLMI-UHFFFAOYSA-N 0 0 486.553 4.940 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000019856257 555514603 /nfs/dbraw/zinc/51/46/03/555514603.db2.gz GITIKCQDDNRQDK-UHFFFAOYSA-N 0 0 478.492 4.938 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1OC ZINC000019856258 555514612 /nfs/dbraw/zinc/51/46/12/555514612.db2.gz OCBBKTMZHPFYLV-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856236 555514623 /nfs/dbraw/zinc/51/46/23/555514623.db2.gz RPEONJVHVVIGAQ-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000019856641 555516951 /nfs/dbraw/zinc/51/69/51/555516951.db2.gz WFDJABFEQKVLHS-UHFFFAOYSA-N 0 0 482.602 4.880 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000019856867 555517685 /nfs/dbraw/zinc/51/76/85/555517685.db2.gz KZFCISVPUVIAHU-UHFFFAOYSA-N 0 0 480.586 4.541 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000019867625 555521755 /nfs/dbraw/zinc/52/17/55/555521755.db2.gz CPPQYPKOLKSLNR-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019867509 555521765 /nfs/dbraw/zinc/52/17/65/555521765.db2.gz PPFNFSYALJMPAK-UHFFFAOYSA-N 0 0 493.503 4.505 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868175 555522529 /nfs/dbraw/zinc/52/25/29/555522529.db2.gz PDBJHEVIRGXUDW-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584941 555522935 /nfs/dbraw/zinc/52/29/35/555522935.db2.gz XKXRHQORDVNEDG-UHFFFAOYSA-N 0 0 489.391 4.682 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000013584946 555522956 /nfs/dbraw/zinc/52/29/56/555522956.db2.gz MUHPUIDMTJEHAW-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585307 555523437 /nfs/dbraw/zinc/52/34/37/555523437.db2.gz FKWHRQVUOAUUIN-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)C1(CO)c3ccccc3C2c2ccccc21 ZINC000013590874 555525157 /nfs/dbraw/zinc/52/51/57/555525157.db2.gz FKDLCASMIHLVDB-LQDNNDEMSA-N 0 0 450.321 4.537 40 0 JJABRN CN(c1ccc2sc(C(=O)NC(c3ccccc3)c3ccccc3)cc2c1)S(C)(=O)=O ZINC000013609843 555533407 /nfs/dbraw/zinc/53/34/07/555533407.db2.gz FLWRJKUWEBDZEJ-UHFFFAOYSA-N 0 0 450.585 4.817 40 0 JJABRN O=c1cc(-c2cccc3ccccc32)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611784 555534412 /nfs/dbraw/zinc/53/44/12/555534412.db2.gz AIWPTGCAVNJCLP-UHFFFAOYSA-N 0 0 450.464 4.936 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013613583 555535387 /nfs/dbraw/zinc/53/53/87/555535387.db2.gz NBQRNACFUAXOSU-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000013613817 555535632 /nfs/dbraw/zinc/53/56/32/555535632.db2.gz NERCDIIOEVHHEA-QGZVFWFLSA-N 0 0 454.979 4.822 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1cccc(Br)c1 ZINC000019927872 555542824 /nfs/dbraw/zinc/54/28/24/555542824.db2.gz FROHVZBFQFHAGP-UHFFFAOYSA-N 0 0 468.174 4.728 40 0 JJABRN CCCNC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1cc(Br)ccc1N(CC)C2=O ZINC000013635531 555544659 /nfs/dbraw/zinc/54/46/59/555544659.db2.gz MUZOJLRRRAMNHI-XMMPIXPASA-N 0 0 481.394 4.518 40 0 JJABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc(Br)c(C)c2)n[nH]1 ZINC000019929204 555545871 /nfs/dbraw/zinc/54/58/71/555545871.db2.gz ZBAFXMJBKWBBLM-UHFFFAOYSA-N 0 0 467.776 4.935 40 0 JJABRN CCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930200 555547485 /nfs/dbraw/zinc/54/74/85/555547485.db2.gz QJAADFQKUSUGTQ-UHFFFAOYSA-N 0 0 488.993 4.577 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccccc1 ZINC000019931736 555549202 /nfs/dbraw/zinc/54/92/02/555549202.db2.gz VRALWDACRFWJMP-REWPJTCUSA-N 0 0 470.978 4.564 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)ccc1Cl ZINC000019932908 555550339 /nfs/dbraw/zinc/55/03/39/555550339.db2.gz ZSMIMQCKDLLIIF-UHFFFAOYSA-N 0 0 499.416 4.987 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013646887 555551419 /nfs/dbraw/zinc/55/14/19/555551419.db2.gz ABBAAXLDOINDRB-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019934333 555551602 /nfs/dbraw/zinc/55/16/02/555551602.db2.gz WAAFSDHTHBQZKN-QHCPKHFHSA-N 0 0 460.640 4.762 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000019935345 555552618 /nfs/dbraw/zinc/55/26/18/555552618.db2.gz QCVTXNRQRMGNCS-UHFFFAOYSA-N 0 0 486.977 4.934 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000019935469 555552934 /nfs/dbraw/zinc/55/29/34/555552934.db2.gz PXQGKSGLRHDTNG-UHFFFAOYSA-N 0 0 450.988 4.574 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000013649609 555553764 /nfs/dbraw/zinc/55/37/64/555553764.db2.gz ZSXHMDZPZDXZEC-SFHVURJKSA-N 0 0 485.005 4.830 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000019937978 555555182 /nfs/dbraw/zinc/55/51/82/555555182.db2.gz NQHPJFNQHXATLN-UHFFFAOYSA-N 0 0 493.412 4.822 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000013668480 555557435 /nfs/dbraw/zinc/55/74/35/555557435.db2.gz WXFAISLVDUQIMN-UHFFFAOYSA-N 0 0 466.603 4.598 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000013668658 555557787 /nfs/dbraw/zinc/55/77/87/555557787.db2.gz YSFGZFXSWOPVSK-UHFFFAOYSA-N 0 0 498.670 4.995 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013669309 555559087 /nfs/dbraw/zinc/55/90/87/555559087.db2.gz ZQOJTAHBOLRXES-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(C)cc2)cc1 ZINC000013669500 555559379 /nfs/dbraw/zinc/55/93/79/555559379.db2.gz RKYUGJZUDXDLHR-IBGZPJMESA-N 0 0 466.628 4.890 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc12 ZINC000019940883 555559511 /nfs/dbraw/zinc/55/95/11/555559511.db2.gz LPFSIOZWQHGLMP-SANMLTNESA-N 0 0 468.605 4.784 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(Br)cc2)cc1 ZINC000013669531 555559580 /nfs/dbraw/zinc/55/95/80/555559580.db2.gz CFZJOBVWMSBEKG-UHFFFAOYSA-N 0 0 487.419 4.578 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000013670182 555560758 /nfs/dbraw/zinc/56/07/58/555560758.db2.gz RKNSPNICNSXKGN-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000013670312 555560803 /nfs/dbraw/zinc/56/08/03/555560803.db2.gz ITVVGSALBXPDRA-UHFFFAOYSA-N 0 0 484.549 4.529 40 0 JJABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000013670383 555561123 /nfs/dbraw/zinc/56/11/23/555561123.db2.gz NQTMSVBEWINCJS-UHFFFAOYSA-N 0 0 458.942 4.654 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000013672710 555564207 /nfs/dbraw/zinc/56/42/07/555564207.db2.gz RPTJJAPSYSOHHC-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C ZINC000013673095 555564637 /nfs/dbraw/zinc/56/46/37/555564637.db2.gz IWWVXNPGDOZMLH-IBGZPJMESA-N 0 0 496.585 4.757 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000013673584 555565214 /nfs/dbraw/zinc/56/52/14/555565214.db2.gz JNWPJTQODXKPMS-UHFFFAOYSA-N 0 0 454.979 4.899 40 0 JJABRN Cc1cc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)ccc1Br ZINC000013675641 555566659 /nfs/dbraw/zinc/56/66/59/555566659.db2.gz UADOZXQUSLEHHU-MRXNPFEDSA-N 0 0 481.456 4.698 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013675733 555566904 /nfs/dbraw/zinc/56/69/04/555566904.db2.gz SBDRQECOEUYCQP-UHFFFAOYSA-N 0 0 487.021 4.683 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cccc(Cl)c2)cc1 ZINC000013676667 555567470 /nfs/dbraw/zinc/56/74/70/555567470.db2.gz CQSUIGBPZNPKOU-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN O=C(NCCSC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013677107 555567976 /nfs/dbraw/zinc/56/79/76/555567976.db2.gz OJXDWCWNVCYJFY-QGZVFWFLSA-N 0 0 493.522 4.717 40 0 JJABRN CN(c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000013677588 555568562 /nfs/dbraw/zinc/56/85/62/555568562.db2.gz JPEVQBKOFDKFFW-UHFFFAOYSA-N 0 0 467.037 4.749 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000013678001 555569269 /nfs/dbraw/zinc/56/92/69/555569269.db2.gz KYTGXFKTEYYJQL-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678336 555569418 /nfs/dbraw/zinc/56/94/18/555569418.db2.gz BSSAWHVAWHMWRI-OAQYLSRUSA-N 0 0 477.369 4.897 40 0 JJABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000013678501 555569585 /nfs/dbraw/zinc/56/95/85/555569585.db2.gz UWBPLKMFFXSTMJ-UHFFFAOYSA-N 0 0 493.368 4.941 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000013678751 555569917 /nfs/dbraw/zinc/56/99/17/555569917.db2.gz IPNFYGWZZCNTDL-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000013678753 555570031 /nfs/dbraw/zinc/57/00/31/555570031.db2.gz IPNFYGWZZCNTDL-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013678835 555570227 /nfs/dbraw/zinc/57/02/27/555570227.db2.gz AOUIUEOPIPXEMN-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000013679498 555571328 /nfs/dbraw/zinc/57/13/28/555571328.db2.gz CMFOFCPTTMGVQM-CQSZACIVSA-N 0 0 473.447 4.896 40 0 JJABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(C)(=O)=O)cc1C ZINC000013679812 555571610 /nfs/dbraw/zinc/57/16/10/555571610.db2.gz ZIWLWWIMGJBANC-UHFFFAOYSA-N 0 0 485.650 4.505 40 0 JJABRN COC(=O)C[C@@]1(C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H](c2ccc(C)cc2)N1c1ccccc1 ZINC000019960870 555572394 /nfs/dbraw/zinc/57/23/94/555572394.db2.gz YMUYFBDDCPPKDZ-QNVWVOQGSA-N 0 0 468.553 4.684 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680471 555572903 /nfs/dbraw/zinc/57/29/03/555572903.db2.gz RONJISJPLRPLFT-PKOBYXMFSA-N 0 0 483.461 4.673 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680447 555572939 /nfs/dbraw/zinc/57/29/39/555572939.db2.gz GLVABWVVZFMLKX-HXUWFJFHSA-N 0 0 477.369 4.730 40 0 JJABRN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1NS(=O)(=O)c1ccccc1 ZINC000013680883 555573572 /nfs/dbraw/zinc/57/35/72/555573572.db2.gz SPTKSZNHAXFGQK-UHFFFAOYSA-N 0 0 489.553 4.571 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013681748 555575058 /nfs/dbraw/zinc/57/50/58/555575058.db2.gz UNLJFRBRCHLKHD-ZDUSSCGKSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1cccc(NC(SCc2ccc(Cl)cc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009973836 555575677 /nfs/dbraw/zinc/57/56/77/555575677.db2.gz SEKPETVIPCRJLM-UHFFFAOYSA-N 0 0 464.374 4.909 40 0 JJABRN COC(=O)c1c(C)nc2ccn(-c3ccc(NC(C)=O)cc3)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000019973864 555576324 /nfs/dbraw/zinc/57/63/24/555576324.db2.gz HQMZCWCLNJKHTH-UHFFFAOYSA-N 0 0 461.905 4.760 40 0 JJABRN CCOc1ccc(NC(SCc2ccc(Cl)cc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974214 555577615 /nfs/dbraw/zinc/57/76/15/555577615.db2.gz BYWCTXKRIMRKDP-UHFFFAOYSA-N 0 0 494.400 4.999 40 0 JJABRN CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004437 555577716 /nfs/dbraw/zinc/57/77/16/555577716.db2.gz NGTXUIUIHBBNJG-XMMPIXPASA-N 0 0 450.604 4.703 40 0 JJABRN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000020004688 555578264 /nfs/dbraw/zinc/57/82/64/555578264.db2.gz LEXZSLMGWDPVQZ-JOCHJYFZSA-N 0 0 487.021 4.802 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974419 555578848 /nfs/dbraw/zinc/57/88/48/555578848.db2.gz WQOMZURJFHQCKQ-CYBMUJFWSA-N 0 0 491.329 4.507 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)c(C)c1 ZINC000020005010 555579251 /nfs/dbraw/zinc/57/92/51/555579251.db2.gz WOWFNDBYHRSYPW-QHCPKHFHSA-N 0 0 454.567 4.588 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000009974679 555579872 /nfs/dbraw/zinc/57/98/72/555579872.db2.gz WGSCFKGEROLQRP-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 ZINC000009974710 555580197 /nfs/dbraw/zinc/58/01/97/555580197.db2.gz SJRFELIFVYJVDZ-SFHVURJKSA-N 0 0 465.015 4.731 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000009974714 555580208 /nfs/dbraw/zinc/58/02/08/555580208.db2.gz CBTZMRNVKDEOBR-SFHVURJKSA-N 0 0 465.015 4.513 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020006111 555580474 /nfs/dbraw/zinc/58/04/74/555580474.db2.gz ZNYQUCREHSCIJI-JOCHJYFZSA-N 0 0 487.021 4.748 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1Cl ZINC000020006200 555580698 /nfs/dbraw/zinc/58/06/98/555580698.db2.gz CTYFRBVAULMMSG-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000020006953 555581599 /nfs/dbraw/zinc/58/15/99/555581599.db2.gz NXYRZIAJRDIIMS-DEOSSOPVSA-N 0 0 474.582 4.685 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007884 555582466 /nfs/dbraw/zinc/58/24/66/555582466.db2.gz FIMBYRYKDUHUHK-HXUWFJFHSA-N 0 0 467.349 4.661 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007871 555582520 /nfs/dbraw/zinc/58/25/20/555582520.db2.gz FOHWZHRUTQDSFZ-IBGZPJMESA-N 0 0 467.349 4.661 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000020008871 555583602 /nfs/dbraw/zinc/58/36/02/555583602.db2.gz LRDIRXQYOHJQGB-NRFANRHFSA-N 0 0 492.519 4.551 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000020009069 555583943 /nfs/dbraw/zinc/58/39/43/555583943.db2.gz RCPKMCDIYLJSLF-RUZDIDTESA-N 0 0 480.630 4.875 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020010144 555586148 /nfs/dbraw/zinc/58/61/48/555586148.db2.gz RXDMMIUTERSBPI-UHFFFAOYSA-N 0 0 466.456 4.674 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1 ZINC000020010303 555586215 /nfs/dbraw/zinc/58/62/15/555586215.db2.gz WURFBZCPVXPIDX-IBGZPJMESA-N 0 0 456.995 4.717 40 0 JJABRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000020011692 555587839 /nfs/dbraw/zinc/58/78/39/555587839.db2.gz YYLDFEKPAVBHBE-UHFFFAOYSA-N 0 0 481.376 4.640 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011755 555587874 /nfs/dbraw/zinc/58/78/74/555587874.db2.gz JHPRDHQDQCWPFI-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)Cc2ccccc2F)cc1 ZINC000020012099 555588425 /nfs/dbraw/zinc/58/84/25/555588425.db2.gz XFTZZDHMQOLSTC-SFHVURJKSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012432 555588642 /nfs/dbraw/zinc/58/86/42/555588642.db2.gz RJRZMQUPFQNHNA-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2cccc(Cl)c2)cc1 ZINC000020012477 555588662 /nfs/dbraw/zinc/58/86/62/555588662.db2.gz SYTMOXQMKQWNGU-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020012759 555589153 /nfs/dbraw/zinc/58/91/53/555589153.db2.gz RJRYJINTYBMPNF-QFIPXVFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020013353 555589380 /nfs/dbraw/zinc/58/93/80/555589380.db2.gz YLCJBHJYLCKILQ-QHCPKHFHSA-N 0 0 494.657 4.731 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013396 555589401 /nfs/dbraw/zinc/58/94/01/555589401.db2.gz PTLYEMQXGPJKFU-QHCPKHFHSA-N 0 0 494.657 4.997 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013341 555589414 /nfs/dbraw/zinc/58/94/14/555589414.db2.gz AAIVMTAFRUUBFX-QHCPKHFHSA-N 0 0 494.657 4.731 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010001074 555590124 /nfs/dbraw/zinc/59/01/24/555590124.db2.gz VYHMWFLAIBGXCT-XSFVSMFZSA-N 0 0 461.445 4.797 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010002376 555590275 /nfs/dbraw/zinc/59/02/75/555590275.db2.gz CZLCRBIXNKRKLO-KGENOOAVSA-N 0 0 473.481 4.666 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712740 555590341 /nfs/dbraw/zinc/59/03/41/555590341.db2.gz HEICAHOXJCQFKN-JOCHJYFZSA-N 0 0 492.041 4.540 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccccc2)cc1Cl ZINC000020014377 555590556 /nfs/dbraw/zinc/59/05/56/555590556.db2.gz OBTHZLXUGXNBGH-UHFFFAOYSA-N 0 0 476.957 4.626 40 0 JJABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3O)oc2c(C)c1 ZINC000010003892 555590815 /nfs/dbraw/zinc/59/08/15/555590815.db2.gz CCOPHDOVZRXGTC-UHFFFAOYSA-N 0 0 461.499 4.673 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3O)nc2c1 ZINC000010003745 555590893 /nfs/dbraw/zinc/59/08/93/555590893.db2.gz JIDJHMZBYDYGKX-UHFFFAOYSA-N 0 0 461.499 4.618 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cc(F)ccc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020015117 555591141 /nfs/dbraw/zinc/59/11/41/555591141.db2.gz JCCGIVKYEFKUCU-UHFFFAOYSA-N 0 0 490.528 4.515 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714588 555592018 /nfs/dbraw/zinc/59/20/18/555592018.db2.gz MHKDMNSOPCFUKT-LJQANCHMSA-N 0 0 493.453 4.727 40 0 JJABRN CCCCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2OC)cc1 ZINC000010010239 555592235 /nfs/dbraw/zinc/59/22/35/555592235.db2.gz SVQUWADOQSBUBN-UHFFFAOYSA-N 0 0 451.552 4.855 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715488 555592722 /nfs/dbraw/zinc/59/27/22/555592722.db2.gz GFUQDPQYIQFSGX-MRXNPFEDSA-N 0 0 452.857 4.681 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716267 555593568 /nfs/dbraw/zinc/59/35/68/555593568.db2.gz FTHNNMWJQDTYBR-NRFANRHFSA-N 0 0 469.072 4.551 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716271 555593638 /nfs/dbraw/zinc/59/36/38/555593638.db2.gz GEAWZQGKNNXRKF-NRFANRHFSA-N 0 0 469.072 4.551 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000013717140 555594477 /nfs/dbraw/zinc/59/44/77/555594477.db2.gz VCTVKPVNNMTFJB-UHFFFAOYSA-N 0 0 467.572 4.542 40 0 JJABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020018603 555594803 /nfs/dbraw/zinc/59/48/03/555594803.db2.gz ORQMKSBCKNIMML-QGZVFWFLSA-N 0 0 479.042 4.750 40 0 JJABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(SC)cc2)CC1 ZINC000020018654 555594869 /nfs/dbraw/zinc/59/48/69/555594869.db2.gz JJVUKYSNMSBYRS-SFHVURJKSA-N 0 0 490.691 4.819 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000020019264 555595368 /nfs/dbraw/zinc/59/53/68/555595368.db2.gz PYIFZUBTDITEII-HNNXBMFYSA-N 0 0 496.482 4.902 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000020021073 555598112 /nfs/dbraw/zinc/59/81/12/555598112.db2.gz TWEOMVHXHIKJSH-QGZVFWFLSA-N 0 0 488.993 4.714 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(C)c2)cc1 ZINC000020021623 555598781 /nfs/dbraw/zinc/59/87/81/555598781.db2.gz OTKKVTPXOMKWDX-UHFFFAOYSA-N 0 0 464.465 4.539 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000020022207 555599545 /nfs/dbraw/zinc/59/95/45/555599545.db2.gz XOJKYPZYZUXBSS-UHFFFAOYSA-N 0 0 498.445 4.738 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1 ZINC000020022469 555599888 /nfs/dbraw/zinc/59/98/88/555599888.db2.gz CQBXTBIAVOTBSN-QGZVFWFLSA-N 0 0 488.606 4.913 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000020022574 555600208 /nfs/dbraw/zinc/60/02/08/555600208.db2.gz OHKDCECJEOZTFV-FQEVSTJZSA-N 0 0 482.602 4.677 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020022524 555600281 /nfs/dbraw/zinc/60/02/81/555600281.db2.gz SYJMPBGLFBOISP-VWLOTQADSA-N 0 0 494.613 4.767 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020022521 555600311 /nfs/dbraw/zinc/60/03/11/555600311.db2.gz SYJMPBGLFBOISP-RUZDIDTESA-N 0 0 494.613 4.767 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020023822 555601727 /nfs/dbraw/zinc/60/17/27/555601727.db2.gz MTWCMNLOZCEEGJ-WOJBJXKFSA-N 0 0 466.603 4.545 40 0 JJABRN 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555633210 /nfs/dbraw/zinc/63/32/10/555633210.db2.gz BMLIGWLMZLWKNG-HHHXNRCGSA-N 0 0 467.621 4.865 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000013844305 555633240 /nfs/dbraw/zinc/63/32/40/555633240.db2.gz IBVVVGZKAAKXIB-UHFFFAOYSA-N 0 0 467.378 4.830 40 0 JJABRN COc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2C)cc1 ZINC000013844968 555633477 /nfs/dbraw/zinc/63/34/77/555633477.db2.gz JOWSTEFVLJTTAH-UHFFFAOYSA-N 0 0 481.603 4.565 40 0 JJABRN O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N(Cc1ccccc1)c1ccccc1 ZINC000010128166 555633616 /nfs/dbraw/zinc/63/36/16/555633616.db2.gz IJFLTCOGBKFTSX-AYASFNNFSA-N 0 0 478.592 4.862 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000010128260 555633934 /nfs/dbraw/zinc/63/39/34/555633934.db2.gz DBNVSPZWGLQZOF-JOCHJYFZSA-N 0 0 477.413 4.508 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2)cc(OCC)c1OCC ZINC000010128429 555634237 /nfs/dbraw/zinc/63/42/37/555634237.db2.gz DNUSDONDSXIPKL-UHFFFAOYSA-N 0 0 481.578 4.864 40 0 JJABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020104239 555636566 /nfs/dbraw/zinc/63/65/66/555636566.db2.gz YBQJTEDQVPSUCL-FQEVSTJZSA-N 0 0 450.988 4.701 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020104718 555637401 /nfs/dbraw/zinc/63/74/01/555637401.db2.gz WJDKXUXDTUJYBQ-UHFFFAOYSA-N 0 0 465.015 4.622 40 0 JJABRN COc1ccc(C(=O)N2c3ccccc3[C@H](N(c3ccccc3)S(C)(=O)=O)C[C@H]2C)cc1 ZINC000010153344 555637958 /nfs/dbraw/zinc/63/79/58/555637958.db2.gz UOHFLQUPSVHECI-HOYKHHGWSA-N 0 0 450.560 4.642 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000020106065 555639600 /nfs/dbraw/zinc/63/96/00/555639600.db2.gz JRINSPCBYHFGEG-UHFFFAOYSA-N 0 0 494.613 4.628 40 0 JJABRN CCOc1cccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000020106209 555639959 /nfs/dbraw/zinc/63/99/59/555639959.db2.gz FZSKWRQLCWBBHT-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN 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CCOC(=O)C1=C(C)N(c2ccccc2C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000013914188 555646090 /nfs/dbraw/zinc/64/60/90/555646090.db2.gz HSEVQWJPTLJURZ-IBGZPJMESA-N 0 0 475.339 4.580 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000020110460 555646665 /nfs/dbraw/zinc/64/66/65/555646665.db2.gz RVQJBHSZOBRAPT-UHFFFAOYSA-N 0 0 488.613 4.837 40 0 JJABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000020110997 555647457 /nfs/dbraw/zinc/64/74/57/555647457.db2.gz FZGZHTIITFLJRI-UHFFFAOYSA-N 0 0 456.589 4.885 40 0 JJABRN COc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)cc1-c1ccc(CO)o1 ZINC000020144457 555664165 /nfs/dbraw/zinc/66/41/65/555664165.db2.gz GLDKHNUEKIBMFL-UHFFFAOYSA-N 0 0 460.324 4.844 40 0 JJABRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000013987595 555667421 /nfs/dbraw/zinc/66/74/21/555667421.db2.gz IQCMPQGQOCJLTP-UEXGIBASSA-N 0 0 475.618 4.948 40 0 JJABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000014006299 555668252 /nfs/dbraw/zinc/66/82/52/555668252.db2.gz XYQUFXSBYPYEPP-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000020152022 555669084 /nfs/dbraw/zinc/66/90/84/555669084.db2.gz TWJOJCMODBMYQD-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)cc1 ZINC000020151960 555669190 /nfs/dbraw/zinc/66/91/90/555669190.db2.gz XSHCAMJKDAOJAC-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1I ZINC000010275774 555670333 /nfs/dbraw/zinc/67/03/33/555670333.db2.gz OLABHYNPDSOKLS-CYBMUJFWSA-N 0 0 473.376 4.637 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 ZINC000020152872 555670725 /nfs/dbraw/zinc/67/07/25/555670725.db2.gz XBSUQFGDWXZSMJ-UHFFFAOYSA-N 0 0 454.548 4.753 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010276328 555670889 /nfs/dbraw/zinc/67/08/89/555670889.db2.gz JJCHDTSYTACNIJ-LJQANCHMSA-N 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CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(Br)cc1 ZINC000014071316 555679162 /nfs/dbraw/zinc/67/91/62/555679162.db2.gz TZISADMAUULPRO-UHFFFAOYSA-N 0 0 459.369 4.661 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CC)cc1 ZINC000014071310 555679239 /nfs/dbraw/zinc/67/92/39/555679239.db2.gz OOAGGNAIOWGKDD-UHFFFAOYSA-N 0 0 461.385 4.857 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010314330 555679799 /nfs/dbraw/zinc/67/97/99/555679799.db2.gz MELBWKWDHUKHLR-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccc(C)cc3)n1C)CCCC2 ZINC000014082206 555681759 /nfs/dbraw/zinc/68/17/59/555681759.db2.gz MMLMKLSJGVDCJA-UHFFFAOYSA-N 0 0 470.620 4.638 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325846 555684511 /nfs/dbraw/zinc/68/45/11/555684511.db2.gz XNINPIBDOXWRKY-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 ZINC000010325853 555684570 /nfs/dbraw/zinc/68/45/70/555684570.db2.gz XNINPIBDOXWRKY-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014091719 555684957 /nfs/dbraw/zinc/68/49/57/555684957.db2.gz BAZOPCYYIUNMPD-UHFFFAOYSA-N 0 0 451.379 4.935 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O ZINC000010328725 555686926 /nfs/dbraw/zinc/68/69/26/555686926.db2.gz MXEYOBBIFSKBFT-AWEZNQCLSA-N 0 0 493.453 4.645 40 0 JJABRN Cc1cccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000010330210 555687099 /nfs/dbraw/zinc/68/70/99/555687099.db2.gz UGGFLURXGFOCKQ-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010330970 555687711 /nfs/dbraw/zinc/68/77/11/555687711.db2.gz RIQMQTXKDGHFNB-UHFFFAOYSA-N 0 0 465.575 4.578 40 0 JJABRN Cc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1NS(=O)(=O)c1ccccc1 ZINC000010332214 555688241 /nfs/dbraw/zinc/68/82/41/555688241.db2.gz BLAUJRZXXKTCRY-UHFFFAOYSA-N 0 0 463.328 4.950 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000010332517 555688629 /nfs/dbraw/zinc/68/86/29/555688629.db2.gz VBABGZNZPOOCFH-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014106515 555689258 /nfs/dbraw/zinc/68/92/58/555689258.db2.gz YUMKEZBGDVKDAU-KRWDZBQOSA-N 0 0 479.440 4.920 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010334487 555689835 /nfs/dbraw/zinc/68/98/35/555689835.db2.gz MOLPQVJTOASPTH-UHFFFAOYSA-N 0 0 479.602 4.886 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000010335327 555690344 /nfs/dbraw/zinc/69/03/44/555690344.db2.gz WLNBIVLBXAZGSW-UHFFFAOYSA-N 0 0 493.025 4.967 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(Br)c(Cl)c1)S(C)(=O)=O ZINC000010337271 555691787 /nfs/dbraw/zinc/69/17/87/555691787.db2.gz KHNQVGXZOCDMAM-NSHDSACASA-N 0 0 480.211 4.858 40 0 JJABRN CCOC(=O)N1CCN([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)c2cccnc2)CC1 ZINC000020193543 555694959 /nfs/dbraw/zinc/69/49/59/555694959.db2.gz IEEFQGOMUYRFCM-HSZRJFAPSA-N 0 0 478.618 4.876 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010358311 555695862 /nfs/dbraw/zinc/69/58/62/555695862.db2.gz YYMGPASBEGVZCM-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 ZINC000010358740 555696192 /nfs/dbraw/zinc/69/61/92/555696192.db2.gz UFDWGUSKDXKUTD-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN CCOc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010364816 555697659 /nfs/dbraw/zinc/69/76/59/555697659.db2.gz NXFUXGJEUSRAGD-UHFFFAOYSA-N 0 0 458.967 4.957 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000010369753 555699104 /nfs/dbraw/zinc/69/91/04/555699104.db2.gz TWZQOCSFICELNF-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000010371066 555699706 /nfs/dbraw/zinc/69/97/06/555699706.db2.gz NWWQOTNVALVYSL-JTQLQIEISA-N 0 0 485.311 4.814 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000010372168 555700328 /nfs/dbraw/zinc/70/03/28/555700328.db2.gz ASNIVESIPJEYPX-HNNXBMFYSA-N 0 0 475.463 4.506 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000014135449 555703411 /nfs/dbraw/zinc/70/34/11/555703411.db2.gz HFCJRYHVSHVOQA-UHFFFAOYSA-N 0 0 450.604 4.792 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000010434223 555709172 /nfs/dbraw/zinc/70/91/72/555709172.db2.gz KUICEXAKSQGOME-UHFFFAOYSA-N 0 0 473.820 4.805 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 ZINC000014154728 555712256 /nfs/dbraw/zinc/71/22/56/555712256.db2.gz BIDBQOZQZPIOMM-UHFFFAOYSA-N 0 0 497.375 4.653 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010444487 555712405 /nfs/dbraw/zinc/71/24/05/555712405.db2.gz XYLHSKUDQVMMQO-UHFFFAOYSA-N 0 0 494.613 4.877 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010445002 555712667 /nfs/dbraw/zinc/71/26/67/555712667.db2.gz JMAQPJPDLNYDBL-LJQANCHMSA-N 0 0 496.585 4.757 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1Cl ZINC000014155105 555713020 /nfs/dbraw/zinc/71/30/20/555713020.db2.gz XQGDVIWFUFSCOX-UHFFFAOYSA-N 0 0 480.995 4.567 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446591 555713266 /nfs/dbraw/zinc/71/32/66/555713266.db2.gz ZQYPLKFJUDJFEJ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446475 555713271 /nfs/dbraw/zinc/71/32/71/555713271.db2.gz MWLTVSKOFJXRRV-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446458 555713354 /nfs/dbraw/zinc/71/33/54/555713354.db2.gz AQOBVIFZEDPOIN-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 ZINC000014155397 555713771 /nfs/dbraw/zinc/71/37/71/555713771.db2.gz OMFCXLZYHBSWDT-WXLHYIFQSA-N 0 0 466.647 4.798 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000010447707 555713894 /nfs/dbraw/zinc/71/38/94/555713894.db2.gz VEGFSXMDYNQDFH-UHFFFAOYSA-N 0 0 476.520 4.834 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000010447658 555713897 /nfs/dbraw/zinc/71/38/97/555713897.db2.gz JZMNGZBWHGHSJX-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000010449068 555715056 /nfs/dbraw/zinc/71/50/56/555715056.db2.gz YQTNFUGUAZQZDL-UHFFFAOYSA-N 0 0 461.370 4.778 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000010449504 555715343 /nfs/dbraw/zinc/71/53/43/555715343.db2.gz KLHSRBSUUGTNQC-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000010449693 555715626 /nfs/dbraw/zinc/71/56/26/555715626.db2.gz JTWFOSYKWQOMKA-KRWDZBQOSA-N 0 0 485.403 4.622 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000010449816 555716253 /nfs/dbraw/zinc/71/62/53/555716253.db2.gz KBKJRVLLOWCFID-QGZVFWFLSA-N 0 0 454.979 4.898 40 0 JJABRN COc1cc([C@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc(OC)c1OC ZINC000014163817 555717141 /nfs/dbraw/zinc/71/71/41/555717141.db2.gz VWTUBAOJDATOLF-MRXNPFEDSA-N 0 0 461.493 4.782 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000020233903 555725204 /nfs/dbraw/zinc/72/52/04/555725204.db2.gz CRJJSFYUZSBARN-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000020233955 555725209 /nfs/dbraw/zinc/72/52/09/555725209.db2.gz PYLIDMDTLXIUMQ-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020233960 555725261 /nfs/dbraw/zinc/72/52/61/555725261.db2.gz JLXQKTYWGHWVRC-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691602 555732938 /nfs/dbraw/zinc/73/29/38/555732938.db2.gz DWHAUXUMKMTXOW-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693347 555733766 /nfs/dbraw/zinc/73/37/66/555733766.db2.gz YIUHWVMPLNJXQH-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020239573 555733945 /nfs/dbraw/zinc/73/39/45/555733945.db2.gz UCIUORNKCQEXHO-UHFFFAOYSA-N 0 0 489.062 4.969 40 0 JJABRN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693691 555734098 /nfs/dbraw/zinc/73/40/98/555734098.db2.gz FCHMBJPSTOENLO-UHFFFAOYSA-N 0 0 485.477 4.620 40 0 JJABRN COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000020239858 555734563 /nfs/dbraw/zinc/73/45/63/555734563.db2.gz UCZWZVICEWIDJI-UHFFFAOYSA-N 0 0 479.385 4.514 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010977790 555751023 /nfs/dbraw/zinc/75/10/23/555751023.db2.gz HFUIKTDAOJWMRK-LJQANCHMSA-N 0 0 452.576 4.710 40 0 JJABRN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011002823 555752299 /nfs/dbraw/zinc/75/22/99/555752299.db2.gz MSBCZYZQYWTZJG-UHFFFAOYSA-N 0 0 454.979 4.631 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1OC ZINC000014270140 555761629 /nfs/dbraw/zinc/76/16/29/555761629.db2.gz HBHBZSKUJZCLNC-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 ZINC000014270518 555762841 /nfs/dbraw/zinc/76/28/41/555762841.db2.gz KQTZWEHWABOHDN-UHFFFAOYSA-N 0 0 461.568 4.539 40 0 JJABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(I)c3)nc2c(C)c1 ZINC000014270827 555763839 /nfs/dbraw/zinc/76/38/39/555763839.db2.gz LHLLRXVLVCFQNG-UHFFFAOYSA-N 0 0 467.357 4.645 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl ZINC000014270961 555764426 /nfs/dbraw/zinc/76/44/26/555764426.db2.gz CNFIHCSUDNXULT-UHFFFAOYSA-N 0 0 453.930 4.957 40 0 JJABRN CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C ZINC000014270953 555764438 /nfs/dbraw/zinc/76/44/38/555764438.db2.gz QAMMKDHAIQMNOY-UHFFFAOYSA-N 0 0 452.628 4.887 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(Cl)cc1Cl ZINC000014271026 555764650 /nfs/dbraw/zinc/76/46/50/555764650.db2.gz YQHIPAYWBWBXTJ-UHFFFAOYSA-N 0 0 469.106 4.864 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1cc(Cl)ccc1Cl ZINC000014271024 555764682 /nfs/dbraw/zinc/76/46/82/555764682.db2.gz VYUPFCAJOLLYOU-UHFFFAOYSA-N 0 0 469.106 4.864 40 0 JJABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccccc2)cc1 ZINC000011196573 555766054 /nfs/dbraw/zinc/76/60/54/555766054.db2.gz YMSNFVAVDBAOHE-UHFFFAOYSA-N 0 0 458.543 4.745 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014271585 555767085 /nfs/dbraw/zinc/76/70/85/555767085.db2.gz FLYDOMJUZDEXRG-CYBMUJFWSA-N 0 0 464.056 4.707 40 0 JJABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000014271786 555767633 /nfs/dbraw/zinc/76/76/33/555767633.db2.gz RDJASHVKBMJAQP-UHFFFAOYSA-N 0 0 462.594 4.583 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000014271822 555767874 /nfs/dbraw/zinc/76/78/74/555767874.db2.gz BFONFZNOIOLJGC-UHFFFAOYSA-N 0 0 465.022 4.886 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Br ZINC000014271887 555767954 /nfs/dbraw/zinc/76/79/54/555767954.db2.gz KEDZBWLFIVIAHM-AWEZNQCLSA-N 0 0 462.413 4.963 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020323526 555771644 /nfs/dbraw/zinc/77/16/44/555771644.db2.gz SZLQJIMKRAPSHV-IBGZPJMESA-N 0 0 468.575 4.909 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nn12 ZINC000014273227 555772446 /nfs/dbraw/zinc/77/24/46/555772446.db2.gz PXGRDRLRKIWTFD-UHFFFAOYSA-N 0 0 465.432 4.541 40 0 JJABRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1Cl ZINC000014273380 555773096 /nfs/dbraw/zinc/77/30/96/555773096.db2.gz BLIZDIPGZKOORW-UHFFFAOYSA-N 0 0 455.345 4.603 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc(Br)c1 ZINC000014273566 555773659 /nfs/dbraw/zinc/77/36/59/555773659.db2.gz YWDOYQQNIOLVLX-UHFFFAOYSA-N 0 0 470.392 4.725 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 ZINC000014273554 555773662 /nfs/dbraw/zinc/77/36/62/555773662.db2.gz LFOBUEBTNVULPH-UHFFFAOYSA-N 0 0 463.965 4.628 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)c(C)c3)nn12 ZINC000014273948 555775076 /nfs/dbraw/zinc/77/50/76/555775076.db2.gz CHNBGJMTKSGGHY-UHFFFAOYSA-N 0 0 494.646 4.885 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014274254 555776131 /nfs/dbraw/zinc/77/61/31/555776131.db2.gz DIHAYWVPBNUNHQ-UHFFFAOYSA-N 0 0 488.350 4.997 40 0 JJABRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1 ZINC000011398076 555777347 /nfs/dbraw/zinc/77/73/47/555777347.db2.gz BMJSQNSYABEPGF-UHFFFAOYSA-N 0 0 469.497 4.664 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(F)c1F ZINC000014274901 555778645 /nfs/dbraw/zinc/77/86/45/555778645.db2.gz ODOBGUNERBAIKC-UHFFFAOYSA-N 0 0 491.466 4.939 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(F)c1F ZINC000014275404 555780598 /nfs/dbraw/zinc/78/05/98/555780598.db2.gz AYXAEGGXVZYFFL-UHFFFAOYSA-N 0 0 474.439 4.922 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3)nn12 ZINC000014276381 555783437 /nfs/dbraw/zinc/78/34/37/555783437.db2.gz NEPVDUXINQWYFT-UHFFFAOYSA-N 0 0 484.610 4.806 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000014276507 555784024 /nfs/dbraw/zinc/78/40/24/555784024.db2.gz JWRHXXPFKSGACO-LLVKDONJSA-N 0 0 494.480 4.887 40 0 JJABRN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 ZINC000014276953 555784713 /nfs/dbraw/zinc/78/47/13/555784713.db2.gz WJJXSUFOHIVUCU-UHFFFAOYSA-N 0 0 493.032 4.802 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(Cl)cc1 ZINC000014277108 555785065 /nfs/dbraw/zinc/78/50/65/555785065.db2.gz LSOPIUJBTFTRAH-UHFFFAOYSA-N 0 0 483.012 4.928 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000014277160 555785577 /nfs/dbraw/zinc/78/55/77/555785577.db2.gz OLABOGNTKCEYJS-UHFFFAOYSA-N 0 0 492.620 4.592 40 0 JJABRN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc(OC)c1OC ZINC000014277280 555785661 /nfs/dbraw/zinc/78/56/61/555785661.db2.gz IURGZITZMPLMMZ-UHFFFAOYSA-N 0 0 478.014 4.729 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc(C)c1Cl ZINC000014291000 555791622 /nfs/dbraw/zinc/79/16/22/555791622.db2.gz QHKVSZHSHWVBCE-UHFFFAOYSA-N 0 0 484.021 4.998 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000014291169 555792509 /nfs/dbraw/zinc/79/25/09/555792509.db2.gz FBQNYZAKMGQVNH-UHFFFAOYSA-N 0 0 472.029 4.960 40 0 JJABRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc(C)c1Cl ZINC000014291174 555792544 /nfs/dbraw/zinc/79/25/44/555792544.db2.gz KYYRTJFFLDROMI-UHFFFAOYSA-N 0 0 478.420 4.932 40 0 JJABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000014291173 555792565 /nfs/dbraw/zinc/79/25/65/555792565.db2.gz QRVRMUMSCZONCN-UHFFFAOYSA-N 0 0 464.393 4.624 40 0 JJABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000020528563 555792624 /nfs/dbraw/zinc/79/26/24/555792624.db2.gz JLUFCFQHBXMFRR-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3cccc(C)c3)CC2)cc1 ZINC000014291257 555792899 /nfs/dbraw/zinc/79/28/99/555792899.db2.gz RUJPXYMUNRQVOP-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000014291397 555793353 /nfs/dbraw/zinc/79/33/53/555793353.db2.gz AWWFBHBJMRZQLI-UHFFFAOYSA-N 0 0 457.118 4.649 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291822 555793382 /nfs/dbraw/zinc/79/33/82/555793382.db2.gz VXANDBZWDFIHID-UHFFFAOYSA-N 0 0 476.904 4.794 40 0 JJABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020528942 555793597 /nfs/dbraw/zinc/79/35/97/555793597.db2.gz ITRFOJXKOPCFFP-CYBMUJFWSA-N 0 0 490.309 4.610 40 0 JJABRN OC(c1ccccc1)=C1[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691800 555800584 /nfs/dbraw/zinc/80/05/84/555800584.db2.gz QUSHGXPSJCXDML-QTEQDKRBSA-N 0 0 472.488 4.748 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014398082 555803865 /nfs/dbraw/zinc/80/38/65/555803865.db2.gz OVAKUGWAOAXFFW-QFIPXVFZSA-N 0 0 474.966 4.946 40 0 JJABRN CCOC(=O)c1c(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)sc2c1CCCC2 ZINC000014399929 555805520 /nfs/dbraw/zinc/80/55/20/555805520.db2.gz KJXLCGIYGSPSHD-UHFFFAOYSA-N 0 0 492.663 4.605 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000014400629 555806267 /nfs/dbraw/zinc/80/62/67/555806267.db2.gz UEPYQCMQNCFEMW-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)Cc1ccc2oc(=O)oc2c1 ZINC000014405229 555807692 /nfs/dbraw/zinc/80/76/92/555807692.db2.gz YJROKFRCECTGMF-UHFFFAOYSA-N 0 0 482.496 4.622 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000014412074 555811191 /nfs/dbraw/zinc/81/11/91/555811191.db2.gz SGBJNHCGWVZNQV-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414683 555813523 /nfs/dbraw/zinc/81/35/23/555813523.db2.gz PGRYXIUTBRYPSY-LJQANCHMSA-N 0 0 451.032 4.761 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014492814 555815234 /nfs/dbraw/zinc/81/52/34/555815234.db2.gz YEKNPRABQLQEEL-UHFFFAOYSA-N 0 0 461.798 4.995 40 0 JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2)cc1 ZINC000014576921 555835322 /nfs/dbraw/zinc/83/53/22/555835322.db2.gz SXSNRLNLDCRTOJ-AREMUKBSSA-N 0 0 462.615 4.610 40 0 JJABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(N)s2)[C@H]1c1ccc(Cl)cc1 ZINC000014608074 555836466 /nfs/dbraw/zinc/83/64/66/555836466.db2.gz ORUKMFSYLDUAII-SFHVURJKSA-N 0 0 471.011 4.992 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1 ZINC000014666269 555837387 /nfs/dbraw/zinc/83/73/87/555837387.db2.gz FOHCCVPWIOVSLJ-UHFFFAOYSA-N 0 0 468.575 4.811 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000014700500 555838172 /nfs/dbraw/zinc/83/81/72/555838172.db2.gz HGFPTTMUYYUGMR-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000021579707 555852214 /nfs/dbraw/zinc/85/22/14/555852214.db2.gz NELMEXDZSBFIIW-UHFFFAOYSA-N 0 0 467.928 4.702 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)CC1 ZINC000021579670 555852242 /nfs/dbraw/zinc/85/22/42/555852242.db2.gz KBAVYGXHLRZKJO-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c(OC)c1 ZINC000021595856 555853925 /nfs/dbraw/zinc/85/39/25/555853925.db2.gz LHSUXHFMYBZCFP-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(OC4CCCCC4)n3)CC2)cc1 ZINC000022053113 555866589 /nfs/dbraw/zinc/86/65/89/555866589.db2.gz BEFGYUIUVZLWKT-NRFANRHFSA-N 0 0 494.661 4.717 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015080188 555872341 /nfs/dbraw/zinc/87/23/41/555872341.db2.gz NSDUHHWZZKQBPD-UHFFFAOYSA-N 0 0 456.486 4.531 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 ZINC000015084314 555874308 /nfs/dbraw/zinc/87/43/08/555874308.db2.gz MMFUVMILZGGQOK-UHFFFAOYSA-N 0 0 460.905 4.707 40 0 JJABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccccc1Cl ZINC000022110600 555877573 /nfs/dbraw/zinc/87/75/73/555877573.db2.gz DXWWAGUIBZPLRB-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN CCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs/c1=N\c1ccccc1OC ZINC000015188681 555883531 /nfs/dbraw/zinc/88/35/31/555883531.db2.gz FXTXSZTXAZKUAO-VHXPQNKSSA-N 0 0 457.621 4.652 40 0 JJABRN O=C(Nc1ccccc1)C1(N(Cc2ccccc2)C(=O)c2ccc(-n3cnnn3)cc2)CCCCC1 ZINC000015218947 555884850 /nfs/dbraw/zinc/88/48/50/555884850.db2.gz VAJSDSUNCAWSCV-UHFFFAOYSA-N 0 0 480.572 4.646 40 0 JJABRN C[C@H](OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)c1ccccc1 ZINC000015222110 555885480 /nfs/dbraw/zinc/88/54/80/555885480.db2.gz RPSAGYPFQSRDOI-MHECFPHRSA-N 0 0 456.498 4.682 40 0 JJABRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)cc2)cc1 ZINC000015224742 555886443 /nfs/dbraw/zinc/88/64/43/555886443.db2.gz PCDRUJWFPXJWPK-BKUYFWCQSA-N 0 0 498.354 4.870 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022231120 555889340 /nfs/dbraw/zinc/88/93/40/555889340.db2.gz WGDWHIISOFKZDB-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231102 555889458 /nfs/dbraw/zinc/88/94/58/555889458.db2.gz AMUIAUOZQLZXAH-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000022231142 555889717 /nfs/dbraw/zinc/88/97/17/555889717.db2.gz WQIIZOWMSMUANS-UHFFFAOYSA-N 0 0 478.492 4.689 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231337 555890017 /nfs/dbraw/zinc/89/00/17/555890017.db2.gz IQIYLKRZNXUJLS-UHFFFAOYSA-N 0 0 466.603 4.795 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231921 555890890 /nfs/dbraw/zinc/89/08/90/555890890.db2.gz MWPLTCHEAMJKFD-IBGZPJMESA-N 0 0 487.021 4.871 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232604 555891985 /nfs/dbraw/zinc/89/19/85/555891985.db2.gz DWQLKGHYLUZOTR-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232796 555892499 /nfs/dbraw/zinc/89/24/99/555892499.db2.gz RJKQDBASCBQQHS-UHFFFAOYSA-N 0 0 474.579 4.531 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022232988 555892705 /nfs/dbraw/zinc/89/27/05/555892705.db2.gz QYXKOYRDTZAGMN-GOSISDBHSA-N 0 0 472.994 4.562 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000022233028 555892719 /nfs/dbraw/zinc/89/27/19/555892719.db2.gz VURKCXKYUDNECV-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000022233034 555892744 /nfs/dbraw/zinc/89/27/44/555892744.db2.gz KVVIBXMCRZWDPQ-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233140 555893091 /nfs/dbraw/zinc/89/30/91/555893091.db2.gz BSLHRXDDWONPSJ-UHFFFAOYSA-N 0 0 488.993 4.722 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000022233299 555893382 /nfs/dbraw/zinc/89/33/82/555893382.db2.gz LOOOMSQVVRJLII-UHFFFAOYSA-N 0 0 479.042 4.914 40 0 JJABRN CC(C)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000022233515 555893615 /nfs/dbraw/zinc/89/36/15/555893615.db2.gz UFKACPKBUFDSQQ-UHFFFAOYSA-N 0 0 470.566 4.933 40 0 JJABRN O=C(CCC1CCCCC1)NC(NC(=O)NCc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000015304828 555894667 /nfs/dbraw/zinc/89/46/67/555894667.db2.gz PWIXORNOIMRIQM-UHFFFAOYSA-N 0 0 453.427 4.783 40 0 JJABRN C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)NCc1ccccc1 ZINC000015306259 555895070 /nfs/dbraw/zinc/89/50/70/555895070.db2.gz JWRXINMASKAPBP-MZBJOSPHSA-N 0 0 490.353 4.657 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015315232 555896352 /nfs/dbraw/zinc/89/63/52/555896352.db2.gz DMRQXFICPXVFNM-UHFFFAOYSA-N 0 0 493.629 4.828 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)c1cc(=O)n(Cc2ccccc2)/c(=N/Cc2ccccc2)s1 ZINC000015320037 555897576 /nfs/dbraw/zinc/89/75/76/555897576.db2.gz KQWXCRDVOIBQNL-RFBIWTDZSA-N 0 0 461.974 4.965 40 0 JJABRN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320794 555897837 /nfs/dbraw/zinc/89/78/37/555897837.db2.gz MBPPDBFIRVFCDQ-QFIPXVFZSA-N 0 0 495.004 4.665 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022248685 555898937 /nfs/dbraw/zinc/89/89/37/555898937.db2.gz BGQABQPKKFRMTD-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000022248669 555898952 /nfs/dbraw/zinc/89/89/52/555898952.db2.gz NOKBCJCSHFJIBQ-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000022248384 555898971 /nfs/dbraw/zinc/89/89/71/555898971.db2.gz FDSQREGVCPXIEA-JOCHJYFZSA-N 0 0 490.984 4.715 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)cc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253364 555901530 /nfs/dbraw/zinc/90/15/30/555901530.db2.gz GFEYTCNIJXLTNM-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022256161 555904059 /nfs/dbraw/zinc/90/40/59/555904059.db2.gz WBQAMKPXLYZBHF-QFIPXVFZSA-N 0 0 462.594 4.955 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccs2)no1)C1CCCC1 ZINC000022256812 555904912 /nfs/dbraw/zinc/90/49/12/555904912.db2.gz ZWQGNHJHUWXGLW-UHFFFAOYSA-N 0 0 453.973 4.594 40 0 JJABRN CC[C@@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022257089 555904918 /nfs/dbraw/zinc/90/49/18/555904918.db2.gz QPZICDXHWXJXEH-QGZVFWFLSA-N 0 0 473.595 4.867 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000022259515 555906361 /nfs/dbraw/zinc/90/63/61/555906361.db2.gz GZOMVQBIDVJKHV-JOCHJYFZSA-N 0 0 464.587 4.613 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000022259500 555906420 /nfs/dbraw/zinc/90/64/20/555906420.db2.gz TZYWKSAEFLZVQJ-CQSZACIVSA-N 0 0 460.905 4.707 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1C ZINC000022268259 555907042 /nfs/dbraw/zinc/90/70/42/555907042.db2.gz FHFGDTGKQSMVRW-QHCPKHFHSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1C ZINC000022268334 555907282 /nfs/dbraw/zinc/90/72/82/555907282.db2.gz MDWCOFUUWJSLDU-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000022269442 555908302 /nfs/dbraw/zinc/90/83/02/555908302.db2.gz YFNIRHIWQYFMMM-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)cc1Cl ZINC000022269458 555908309 /nfs/dbraw/zinc/90/83/09/555908309.db2.gz WUHGNPQRETWXJT-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000022269494 555908346 /nfs/dbraw/zinc/90/83/46/555908346.db2.gz BBITYUCUPNYJDS-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)cc1Cl ZINC000022269808 555908631 /nfs/dbraw/zinc/90/86/31/555908631.db2.gz SVMIPPZQCJQEQC-NRFANRHFSA-N 0 0 494.947 4.545 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OCC ZINC000015439218 555909202 /nfs/dbraw/zinc/90/92/02/555909202.db2.gz MIZGLRILSJYKCN-UHFFFAOYSA-N 0 0 470.547 4.546 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000022271442 555909223 /nfs/dbraw/zinc/90/92/23/555909223.db2.gz GIPCERAIIRMHOZ-QHCPKHFHSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000022271438 555909306 /nfs/dbraw/zinc/90/93/06/555909306.db2.gz WMMLEMPVLDDTCU-HSZRJFAPSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000022271445 555909321 /nfs/dbraw/zinc/90/93/21/555909321.db2.gz GIPCERAIIRMHOZ-HSZRJFAPSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000022271521 555909459 /nfs/dbraw/zinc/90/94/59/555909459.db2.gz NZGDXIFYXKKJQE-QFIPXVFZSA-N 0 0 492.519 4.632 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 ZINC000022273739 555910372 /nfs/dbraw/zinc/91/03/72/555910372.db2.gz ISCKXTMRQQWJRB-UHFFFAOYSA-N 0 0 464.465 4.902 40 0 JJABRN Cc1cccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274294 555910984 /nfs/dbraw/zinc/91/09/84/555910984.db2.gz RXCWZLMVHBGVJH-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000012136606 555913771 /nfs/dbraw/zinc/91/37/71/555913771.db2.gz ZHGLTXZFIKPQKB-YXTQBTIXSA-N 0 0 473.662 4.814 40 0 JJABRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000012136607 555913822 /nfs/dbraw/zinc/91/38/22/555913822.db2.gz ZHGLTXZFIKPQKB-JYLXEMOASA-N 0 0 473.662 4.814 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)ccc21 ZINC000015539292 555914239 /nfs/dbraw/zinc/91/42/39/555914239.db2.gz YZRKZNINSLUBAE-UHFFFAOYSA-N 0 0 498.004 4.741 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276784 555914349 /nfs/dbraw/zinc/91/43/49/555914349.db2.gz JXDDQPGHBSBOMI-UHFFFAOYSA-N 0 0 476.520 4.868 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276930 555914623 /nfs/dbraw/zinc/91/46/23/555914623.db2.gz FZFPNWMBNPQVRE-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN COc1ccc(OC)c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022277544 555915196 /nfs/dbraw/zinc/91/51/96/555915196.db2.gz ITQNAWWZKRKIJU-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000022278290 555916248 /nfs/dbraw/zinc/91/62/48/555916248.db2.gz JISQCJQEQPNYHW-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022341502 555923218 /nfs/dbraw/zinc/92/32/18/555923218.db2.gz YANAHRJUXHVDIE-CQSZACIVSA-N 0 0 462.921 4.619 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccc(F)cc2)cc1 ZINC000022352159 555924191 /nfs/dbraw/zinc/92/41/91/555924191.db2.gz MUEZYVYITIPTNJ-UHFFFAOYSA-N 0 0 454.567 4.889 40 0 JJABRN CN(c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1)S(C)(=O)=O ZINC000022530345 555931854 /nfs/dbraw/zinc/93/18/54/555931854.db2.gz IUVWCFXIIRGBCT-UHFFFAOYSA-N 0 0 456.589 4.506 40 0 JJABRN COc1cc(NC(=O)COc2cccc3ccccc32)ccc1N1C(=O)c2ccccc2C1=O ZINC000022533189 555932734 /nfs/dbraw/zinc/93/27/34/555932734.db2.gz BKWZNFVKYLSYJW-UHFFFAOYSA-N 0 0 452.466 4.667 40 0 JJABRN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)o2)c1 ZINC000012172855 555934070 /nfs/dbraw/zinc/93/40/70/555934070.db2.gz IVNKZTIQCFCKNF-UHFFFAOYSA-N 0 0 464.341 4.556 40 0 JJABRN COc1cc(CN(C(=O)/C=C/c2ccc(Cl)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000022563706 555934872 /nfs/dbraw/zinc/93/48/72/555934872.db2.gz HLFMRFUCSWCNOU-GXDHUFHOSA-N 0 0 456.970 4.587 40 0 JJABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000022569217 555937195 /nfs/dbraw/zinc/93/71/95/555937195.db2.gz VEIYAFNIEWVJAS-HXUWFJFHSA-N 0 0 461.562 4.773 40 0 JJABRN CSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3 ZINC000022571000 555937449 /nfs/dbraw/zinc/93/74/49/555937449.db2.gz HTLKTOOQOPPTDB-UHFFFAOYSA-N 0 0 462.600 4.517 40 0 JJABRN COc1cc(NC(=O)COc2c(C)cc(C)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022574616 555938388 /nfs/dbraw/zinc/93/83/88/555938388.db2.gz UYGHRSRAAIJLKA-UHFFFAOYSA-N 0 0 464.905 4.784 40 0 JJABRN COc1cc(CN(C(=O)c2cccc(Cl)c2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022575161 555938615 /nfs/dbraw/zinc/93/86/15/555938615.db2.gz GIEOEKNXRSHXMX-UHFFFAOYSA-N 0 0 465.377 4.841 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000022706267 555943483 /nfs/dbraw/zinc/94/34/83/555943483.db2.gz RTCIQTHYUJSLEI-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)cc1 ZINC000022710740 555945706 /nfs/dbraw/zinc/94/57/06/555945706.db2.gz QTJHJZBUMFXMKM-OUKQBFOZSA-N 0 0 474.590 4.695 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2s1 ZINC000022713513 555946804 /nfs/dbraw/zinc/94/68/04/555946804.db2.gz BLHSRNYZWGLXNN-UHFFFAOYSA-N 0 0 477.409 4.924 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)c1 ZINC000022713887 555946872 /nfs/dbraw/zinc/94/68/72/555946872.db2.gz OSJVDHVPKYLZBW-UHFFFAOYSA-N 0 0 477.586 4.769 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 ZINC000022716357 555947738 /nfs/dbraw/zinc/94/77/38/555947738.db2.gz YLESWIQIAJALCZ-OAHLLOKOSA-N 0 0 479.627 4.678 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 ZINC000022745151 555950814 /nfs/dbraw/zinc/95/08/14/555950814.db2.gz ZPJFAEHUKFIWGH-UHFFFAOYSA-N 0 0 487.423 4.526 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)c(C)cc1I ZINC000022747099 555951470 /nfs/dbraw/zinc/95/14/70/555951470.db2.gz KUXNAUNMGNAKJM-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707316 555952965 /nfs/dbraw/zinc/95/29/65/555952965.db2.gz JPKMUGWPYDIQQJ-IBGZPJMESA-N 0 0 468.876 4.592 40 0 biogenic,in-vitro JJABRN Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2c1 ZINC000012470753 555982204 /nfs/dbraw/zinc/98/22/04/555982204.db2.gz OUERUGDCQLIXEN-HRFSGMKKSA-N 0 0 476.584 4.720 40 0 JJABRN Cc1cccc(C)c1-n1c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)n2c2ccccc2c1=O ZINC000012533892 556005790 /nfs/dbraw/zinc/00/57/90/556005790.db2.gz BEGCKTAITNEXOG-LJQANCHMSA-N 0 0 495.608 4.720 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2c1C ZINC000012566875 556065418 /nfs/dbraw/zinc/06/54/18/556065418.db2.gz DBVGAPNFMPXOKR-WINIVTDRSA-N 0 0 476.584 4.720 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccco3)sc2=N1 ZINC000015932297 556071380 /nfs/dbraw/zinc/07/13/80/556071380.db2.gz PFVYDAPNJUDYDQ-ZMIGGIFCSA-N 0 0 483.593 4.590 40 0 JJABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1cccc(Br)c1 ZINC000012676713 556101563 /nfs/dbraw/zinc/10/15/63/556101563.db2.gz CIWJFYOWNSVKMD-UHFFFAOYSA-N 0 0 454.733 4.795 40 0 JJABRN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000016035121 556118688 /nfs/dbraw/zinc/11/86/88/556118688.db2.gz QDWUELUSHACREB-JLLPCOHGSA-N 0 0 499.364 4.722 40 0 JJABRN O=C(COC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)NCCc1ccc(Cl)cc1Cl ZINC000016035425 556118934 /nfs/dbraw/zinc/11/89/34/556118934.db2.gz GQFICQZNPDUWCV-ZXPDZVFASA-N 0 0 489.237 4.929 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(CC)cccc2CC)cc1Cl ZINC000016162306 556127771 /nfs/dbraw/zinc/12/77/71/556127771.db2.gz HUGQJCDICXWBOW-UHFFFAOYSA-N 0 0 453.004 4.513 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1 ZINC000016644533 556149599 /nfs/dbraw/zinc/14/95/99/556149599.db2.gz YAVZTKFGEWLBAY-UHFFFAOYSA-N 0 0 477.630 4.683 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)c1 ZINC000016644535 556149774 /nfs/dbraw/zinc/14/97/74/556149774.db2.gz QVDAURRRNSFACD-UHFFFAOYSA-N 0 0 477.630 4.683 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21 ZINC000013023405 556212697 /nfs/dbraw/zinc/21/26/97/556212697.db2.gz UJGYNQNUCGOQMP-SANMLTNESA-N 0 0 488.636 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21 ZINC000013023670 556213009 /nfs/dbraw/zinc/21/30/09/556213009.db2.gz CCTWXHAHXWBOPJ-SANMLTNESA-N 0 0 488.636 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024178 556213989 /nfs/dbraw/zinc/21/39/89/556213989.db2.gz AZMZYAOEOSKHDX-DEOSSOPVSA-N 0 0 493.608 4.707 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024370 556214260 /nfs/dbraw/zinc/21/42/60/556214260.db2.gz ZIWLDPJPTAKYIK-AREMUKBSSA-N 0 0 487.579 4.958 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024368 556214275 /nfs/dbraw/zinc/21/42/75/556214275.db2.gz ZIWLDPJPTAKYIK-SANMLTNESA-N 0 0 487.579 4.958 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024541 556214556 /nfs/dbraw/zinc/21/45/56/556214556.db2.gz MVFUMXHMZWIICH-HHHXNRCGSA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013024658 556214568 /nfs/dbraw/zinc/21/45/68/556214568.db2.gz PKTASQNHOXTQGT-MHZLTWQESA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024758 556214809 /nfs/dbraw/zinc/21/48/09/556214809.db2.gz SXUIXMKWNMKWEI-VWLOTQADSA-N 0 0 489.645 4.876 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024822 556214819 /nfs/dbraw/zinc/21/48/19/556214819.db2.gz ZOPRYTBLYOEXEQ-XMMPIXPASA-N 0 0 475.618 4.568 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(OC)c1 ZINC000013025622 556216413 /nfs/dbraw/zinc/21/64/13/556216413.db2.gz UJFSEQHUCPBZAJ-JOCHJYFZSA-N 0 0 454.548 4.805 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025730 556216569 /nfs/dbraw/zinc/21/65/69/556216569.db2.gz KVMKPEOESWXAGQ-HSZRJFAPSA-N 0 0 464.493 4.652 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025701 556216591 /nfs/dbraw/zinc/21/65/91/556216591.db2.gz GZWXSBHJJNDPGV-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1OC ZINC000013025760 556216662 /nfs/dbraw/zinc/21/66/62/556216662.db2.gz NBZFNCGJUKQVFI-XMMPIXPASA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OC)cc1OC ZINC000013026428 556218419 /nfs/dbraw/zinc/21/84/19/556218419.db2.gz NEWWYITYGAOQPV-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccco2)cc1 ZINC000013026510 556218720 /nfs/dbraw/zinc/21/87/20/556218720.db2.gz QJKLZJWUJBLCMH-RUZDIDTESA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc1 ZINC000013026571 556218989 /nfs/dbraw/zinc/21/89/89/556218989.db2.gz HGGYUJBTOSRNBN-RUZDIDTESA-N 0 0 475.545 4.694 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cc(OC)cc(OC)c2)cc1 ZINC000013026616 556219252 /nfs/dbraw/zinc/21/92/52/556219252.db2.gz NRYVXDOAIJDZHL-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)n1 ZINC000013027942 556221338 /nfs/dbraw/zinc/22/13/38/556221338.db2.gz UMTAQNLGIYMGIY-UHFFFAOYSA-N 0 0 464.638 4.554 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013028547 556222525 /nfs/dbraw/zinc/22/25/25/556222525.db2.gz IVCCTYVCCDEXPG-NDEPHWFRSA-N 0 0 481.600 4.569 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccsc2)cc1 ZINC000013029389 556223633 /nfs/dbraw/zinc/22/36/33/556223633.db2.gz BBVFGQZPVYDFIH-AREMUKBSSA-N 0 0 487.629 4.889 40 0 JJABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013029532 556223899 /nfs/dbraw/zinc/22/38/99/556223899.db2.gz MAZMPNJJRSOFEE-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)o1 ZINC000013031604 556228565 /nfs/dbraw/zinc/22/85/65/556228565.db2.gz LECQEMMGASXGMM-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)o1 ZINC000013031598 556228569 /nfs/dbraw/zinc/22/85/69/556228569.db2.gz GRELYIWYEFLNNF-HHHXNRCGSA-N 0 0 487.604 4.886 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013031682 556228920 /nfs/dbraw/zinc/22/89/20/556228920.db2.gz SCAWKNZERHPOBR-DEOSSOPVSA-N 0 0 479.581 4.569 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013032372 556230884 /nfs/dbraw/zinc/23/08/84/556230884.db2.gz GVQYYGMIEJZIJM-MHZLTWQESA-N 0 0 499.615 4.833 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013032380 556231214 /nfs/dbraw/zinc/23/12/14/556231214.db2.gz MJKUVCIEQLJMOA-SANMLTNESA-N 0 0 485.588 4.525 40 0 JJABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000025854922 556237600 /nfs/dbraw/zinc/23/76/00/556237600.db2.gz LFVLYQSTMXZSDO-UHFFFAOYSA-N 0 0 487.987 4.795 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000026115228 556245687 /nfs/dbraw/zinc/24/56/87/556245687.db2.gz FQHHZHVDKFIRFG-UHFFFAOYSA-N 0 0 489.844 4.861 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)N1CCCCC1 ZINC000026115729 556245974 /nfs/dbraw/zinc/24/59/74/556245974.db2.gz RVQSPMANHGFVOD-UHFFFAOYSA-N 0 0 469.426 4.598 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1C(=O)N1CCCCC1 ZINC000026115961 556246006 /nfs/dbraw/zinc/24/60/06/556246006.db2.gz KTQHDFYEUXPLHE-UHFFFAOYSA-N 0 0 499.123 4.900 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026119226 556248281 /nfs/dbraw/zinc/24/82/81/556248281.db2.gz DADKMHXJPFMBFC-UHFFFAOYSA-N 0 0 462.637 4.869 40 0 JJABRN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000017356549 556259456 /nfs/dbraw/zinc/25/94/56/556259456.db2.gz JPFZLKOQPZTWNY-UHFFFAOYSA-N 0 0 485.603 4.612 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064420 556261920 /nfs/dbraw/zinc/26/19/20/556261920.db2.gz SPBVZKUJMXXSNO-QHCPKHFHSA-N 0 0 492.624 4.687 40 0 JJABRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000026851733 556264692 /nfs/dbraw/zinc/26/46/92/556264692.db2.gz XCJBUTYEPXPYJJ-DOIPELPJSA-N 0 0 452.913 4.610 40 0 JJABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000027095441 556273820 /nfs/dbraw/zinc/27/38/20/556273820.db2.gz AJSNUDYGHOBKNE-ABBNRAPFSA-N 0 0 482.580 4.857 40 0 JJABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000027095282 556273825 /nfs/dbraw/zinc/27/38/25/556273825.db2.gz ZLJDHEARFUJMGO-QPJBPQEWSA-N 0 0 498.579 4.562 40 0 JJABRN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)c2)c1 ZINC000017988759 556274410 /nfs/dbraw/zinc/27/44/10/556274410.db2.gz FJIVEZPNDDKCRW-BQQUOAEZSA-N 0 0 497.547 4.808 40 0 JJABRN Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[nH]3)C2)c1 ZINC000013083674 556280770 /nfs/dbraw/zinc/28/07/70/556280770.db2.gz BZMBXVQKNGREPG-KRWDZBQOSA-N 0 0 497.386 4.610 40 0 JJABRN O=C(CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12)NC1CCCC1 ZINC000013084166 556281835 /nfs/dbraw/zinc/28/18/35/556281835.db2.gz SBGVCXYABARGBT-UHFFFAOYSA-N 0 0 457.962 4.676 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018098388 556287354 /nfs/dbraw/zinc/28/73/54/556287354.db2.gz QZXIZLNPZVLRRS-ZNZIZOMTSA-N 0 0 450.494 4.900 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4OC)[C@@H]3C2=O)cc1 ZINC000018120999 556290746 /nfs/dbraw/zinc/29/07/46/556290746.db2.gz QJBDARGNEBVBEL-SDHOMARFSA-N 0 0 458.514 4.535 40 0 JJABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018154566 556295264 /nfs/dbraw/zinc/29/52/64/556295264.db2.gz FPNWRGDFUMDEGI-FKBYEOEOSA-N 0 0 463.331 4.809 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)F ZINC000027902385 556309524 /nfs/dbraw/zinc/30/95/24/556309524.db2.gz HENDEURZHJTGTQ-QGZVFWFLSA-N 0 0 483.220 4.895 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)cc1 ZINC000027916904 556310267 /nfs/dbraw/zinc/31/02/67/556310267.db2.gz XBKDQPJTEWYSQH-UHFFFAOYSA-N 0 0 491.613 4.983 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 ZINC000028207804 556318290 /nfs/dbraw/zinc/31/82/90/556318290.db2.gz BZMBIKWVNFJZHG-UHFFFAOYSA-N 0 0 468.575 4.835 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000028208286 556318455 /nfs/dbraw/zinc/31/84/55/556318455.db2.gz MJGYQWUWYVUXHU-UHFFFAOYSA-N 0 0 487.021 4.655 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2Cl)cc1 ZINC000028208263 556318497 /nfs/dbraw/zinc/31/84/97/556318497.db2.gz ZVASYIDCCBXSQG-UHFFFAOYSA-N 0 0 453.004 4.731 40 0 JJABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000028208421 556318566 /nfs/dbraw/zinc/31/85/66/556318566.db2.gz CUPDCDGQEZYVGC-UHFFFAOYSA-N 0 0 458.967 4.954 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234217 556336347 /nfs/dbraw/zinc/33/63/47/556336347.db2.gz SVHSZULLDTZTBJ-SANMLTNESA-N 0 0 468.605 4.784 40 0 JJABRN CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1 ZINC000028963782 556344793 /nfs/dbraw/zinc/34/47/93/556344793.db2.gz RCLRKCSTXGJWFR-MHWRWJLKSA-N 0 0 466.378 4.968 40 0 JJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526638 556351414 /nfs/dbraw/zinc/35/14/14/556351414.db2.gz OUZAPADDEHYPNG-SANMLTNESA-N 0 0 482.563 4.622 40 0 JJABRN Cc1cc(C)c2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000019569254 556355398 /nfs/dbraw/zinc/35/53/98/556355398.db2.gz RSGKHEQWWKUJNB-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000030751533 556371176 /nfs/dbraw/zinc/37/11/76/556371176.db2.gz VEHFIESABYXGQX-UHFFFAOYSA-N 0 0 486.615 4.893 40 0 JJABRN CCOc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030754593 556372445 /nfs/dbraw/zinc/37/24/45/556372445.db2.gz YRGNPNYGIBISOM-UHFFFAOYSA-N 0 0 465.015 4.725 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC ZINC000030754664 556372449 /nfs/dbraw/zinc/37/24/49/556372449.db2.gz XANMIRCWMMJEDS-MRXNPFEDSA-N 0 0 472.588 4.624 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 ZINC000030835500 556375415 /nfs/dbraw/zinc/37/54/15/556375415.db2.gz DBKUTIOZCZHPMV-UHFFFAOYSA-N 0 0 494.613 4.628 40 0 JJABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC ZINC000030851969 556377865 /nfs/dbraw/zinc/37/78/65/556377865.db2.gz MBZKPQGATMJDDN-OALUTQOASA-N 0 0 498.601 4.528 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000030852568 556378272 /nfs/dbraw/zinc/37/82/72/556378272.db2.gz JXILCYWTNKQSAH-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030857389 556380596 /nfs/dbraw/zinc/38/05/96/556380596.db2.gz VJJPVTVBUZMJIN-GOSISDBHSA-N 0 0 469.434 4.502 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl ZINC000030862009 556382168 /nfs/dbraw/zinc/38/21/68/556382168.db2.gz MJSFKQWMKJUKRT-UHFFFAOYSA-N 0 0 463.342 4.848 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC ZINC000030862850 556382594 /nfs/dbraw/zinc/38/25/94/556382594.db2.gz AYNMKOBTDQXQGP-UHFFFAOYSA-N 0 0 468.575 4.693 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030862953 556382619 /nfs/dbraw/zinc/38/26/19/556382619.db2.gz MSHIGXYSXAMNCP-KRWDZBQOSA-N 0 0 455.407 4.607 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1OC ZINC000019816564 556383032 /nfs/dbraw/zinc/38/30/32/556383032.db2.gz ZKFZIVLDIOVCGN-MRXNPFEDSA-N 0 0 480.977 5.000 40 0 JJABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000030864947 556383248 /nfs/dbraw/zinc/38/32/48/556383248.db2.gz JWSYHWUAZSWDFX-UHFFFAOYSA-N 0 0 463.342 4.848 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000030869387 556384457 /nfs/dbraw/zinc/38/44/57/556384457.db2.gz CADFVWPTZKRNBE-SANMLTNESA-N 0 0 486.678 4.573 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019818429 556385808 /nfs/dbraw/zinc/38/58/08/556385808.db2.gz LQLMPJINUDQTPQ-IZZNHLLZSA-N 0 0 499.567 4.980 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019818431 556385846 /nfs/dbraw/zinc/38/58/46/556385846.db2.gz LQLMPJINUDQTPQ-FTJBHMTQSA-N 0 0 499.567 4.980 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883716 556387032 /nfs/dbraw/zinc/38/70/32/556387032.db2.gz JWSCBQFSVMUZSZ-CCDHNYAISA-N 0 0 460.703 4.960 40 0 biogenic,in-vitro JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000019820146 556389077 /nfs/dbraw/zinc/38/90/77/556389077.db2.gz UMYVUBSLFBPDFP-RPBOFIJWSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000019820583 556390312 /nfs/dbraw/zinc/39/03/12/556390312.db2.gz RHJBWONZJHKWGP-JWQCQUIFSA-N 0 0 453.542 4.703 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc12 ZINC000019824137 556395108 /nfs/dbraw/zinc/39/51/08/556395108.db2.gz HOQOWNFMNMCPOE-UHFFFAOYSA-N 0 0 499.080 4.720 40 0 JJABRN COc1ccc(C2=NN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101045 556416430 /nfs/dbraw/zinc/41/64/30/556416430.db2.gz DDHITPRZOKQUQI-WYRIXSBYSA-N 0 0 477.266 4.657 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101217 556416770 /nfs/dbraw/zinc/41/67/70/556416770.db2.gz BGLLGOZWRYBPTO-QGZVFWFLSA-N 0 0 467.658 4.913 40 0 JJABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000032124999 556428338 /nfs/dbraw/zinc/42/83/38/556428338.db2.gz VLZJFZGVWUGQBU-UHFFFAOYSA-N 0 0 478.504 4.965 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc(C)c1Cl ZINC000032125248 556429281 /nfs/dbraw/zinc/42/92/81/556429281.db2.gz XUKYTPVJJWAYIP-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000032126269 556430032 /nfs/dbraw/zinc/43/00/32/556430032.db2.gz NCXCVOZGAZOONV-UHFFFAOYSA-N 0 0 464.330 4.974 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 ZINC000032126573 556430483 /nfs/dbraw/zinc/43/04/83/556430483.db2.gz NYYJUPFXERLAKE-UHFFFAOYSA-N 0 0 467.547 4.846 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4Cl)c3)nn12 ZINC000032126626 556430584 /nfs/dbraw/zinc/43/05/84/556430584.db2.gz WVFJCVSURAWFKN-UHFFFAOYSA-N 0 0 456.984 4.558 40 0 JJABRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc2c(c1)OCO2 ZINC000032126739 556430899 /nfs/dbraw/zinc/43/08/99/556430899.db2.gz CGYLCXFWLRXTRM-UHFFFAOYSA-N 0 0 497.330 4.508 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000032126778 556430963 /nfs/dbraw/zinc/43/09/63/556430963.db2.gz MMZKJRRYWJXVDQ-UHFFFAOYSA-N 0 0 477.402 4.903 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032127176 556431703 /nfs/dbraw/zinc/43/17/03/556431703.db2.gz WNESKAAPOUXLEQ-FARCUNLSSA-N 0 0 474.380 4.556 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000032127294 556431826 /nfs/dbraw/zinc/43/18/26/556431826.db2.gz HJWIERDGTYPFQG-UHFFFAOYSA-N 0 0 495.048 4.925 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nn12 ZINC000032127595 556432184 /nfs/dbraw/zinc/43/21/84/556432184.db2.gz WOFDWKIZKHSGTN-UHFFFAOYSA-N 0 0 450.593 4.720 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1Cl)N2Cc1ccc(Cl)cc1 ZINC000032508672 556443460 /nfs/dbraw/zinc/44/34/60/556443460.db2.gz DVXIMOKPTQQOOK-MSOLQXFVSA-N 0 0 475.850 4.917 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508670 556443583 /nfs/dbraw/zinc/44/35/83/556443583.db2.gz DVXIMOKPTQQOOK-ROUUACIJSA-N 0 0 475.850 4.917 40 0 JJABRN O=C(CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21)Nc1ccc(Cl)cc1 ZINC000032597800 556449369 /nfs/dbraw/zinc/44/93/69/556449369.db2.gz GZAGMJIQRQHBND-DJJJIMSYSA-N 0 0 458.992 4.838 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032639668 556458894 /nfs/dbraw/zinc/45/88/94/556458894.db2.gz ZDWHDRCMRJHDPQ-NVXWUHKLSA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(F)cc1)N2c1cc(C(F)(F)F)ccc1Cl ZINC000032639913 556459252 /nfs/dbraw/zinc/45/92/52/556459252.db2.gz NFZBVJHWGDCOFV-WBVHZDCISA-N 0 0 478.920 4.773 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640511 556462866 /nfs/dbraw/zinc/46/28/66/556462866.db2.gz AAIUURPHUQFSHG-RTBURBONSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640827 556464056 /nfs/dbraw/zinc/46/40/56/556464056.db2.gz OUKRRKPJXBYWST-IEBWSBKVSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccccc1CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032641013 556465220 /nfs/dbraw/zinc/46/52/20/556465220.db2.gz WGGXCBWBIDNRCW-AEFFLSMTSA-N 0 0 474.957 4.942 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3F)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000032641134 556465257 /nfs/dbraw/zinc/46/52/57/556465257.db2.gz UVPLGMLRUGNQET-RDJZCZTQSA-N 0 0 478.920 4.773 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000032691612 556471237 /nfs/dbraw/zinc/47/12/37/556471237.db2.gz YQFBUIGEVLOWJG-UHFFFAOYSA-N 0 0 470.334 4.703 40 0 JJABRN COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])C=C3C)nc2c1 ZINC000225399157 560043683 /nfs/dbraw/zinc/04/36/83/560043683.db2.gz OWRPIZYLRCIWQX-WIEKXJNISA-N 0 0 481.637 4.976 40 0 biogenic,in-vitro JJABRN CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000067896387 560049968 /nfs/dbraw/zinc/04/99/68/560049968.db2.gz XPXUYPAUFXMPJK-XNMGPUDCSA-N 0 0 472.585 4.697 40 0 biogenic,in-vitro JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582674 562939810 /nfs/dbraw/zinc/93/98/10/562939810.db2.gz AYOKKHOJNMLLPS-VWLOTQADSA-N 0 0 482.588 4.660 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000008676792 562950512 /nfs/dbraw/zinc/95/05/12/562950512.db2.gz XYWSNJZFSYIWTA-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)no1 ZINC000008680634 562951018 /nfs/dbraw/zinc/95/10/18/562951018.db2.gz GAFKMAONOCUFET-RUZDIDTESA-N 0 0 494.617 4.987 40 0 JJABRN CC(C)(C)c1nc2c(nnn2Cc2ccccc2Cl)c(NCc2ccc3c(c2)OCO3)n1 ZINC000008680695 562951112 /nfs/dbraw/zinc/95/11/12/562951112.db2.gz YORCDFRKRXYABZ-UHFFFAOYSA-N 0 0 450.930 4.561 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000057335631 569599004 /nfs/dbraw/zinc/59/90/04/569599004.db2.gz PDUGOFKJKYCHCH-NSHDSACASA-N 0 0 451.386 4.530 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201047 569589422 /nfs/dbraw/zinc/58/94/22/569589422.db2.gz TYGLUOHFMJGOBB-OAQYLSRUSA-N 0 0 487.419 4.594 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)c(OC)c1 ZINC000057313570 569596677 /nfs/dbraw/zinc/59/66/77/569596677.db2.gz MKXCFQUTNHQZGP-UHFFFAOYSA-N 0 0 474.538 4.912 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1 ZINC000057315659 569597136 /nfs/dbraw/zinc/59/71/36/569597136.db2.gz PGMLDKGBLSKQTL-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c(OC)c1 ZINC000057315786 569597255 /nfs/dbraw/zinc/59/72/55/569597255.db2.gz AOJXKRBWOQXZAE-UHFFFAOYSA-N 0 0 478.393 4.717 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)c(OC)c1 ZINC000057315716 569597275 /nfs/dbraw/zinc/59/72/75/569597275.db2.gz VRKPYJODZISJCT-UHFFFAOYSA-N 0 0 483.553 4.718 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000057316237 569597604 /nfs/dbraw/zinc/59/76/04/569597604.db2.gz PKWYJKWDAPFFMW-UHFFFAOYSA-N 0 0 456.984 4.504 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316331 569597687 /nfs/dbraw/zinc/59/76/87/569597687.db2.gz XRSHDWKSHMXWCS-UHFFFAOYSA-N 0 0 459.365 4.912 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000057316453 569597764 /nfs/dbraw/zinc/59/77/64/569597764.db2.gz FLMXSNROACAYCL-UHFFFAOYSA-N 0 0 474.630 4.661 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000057316593 569597910 /nfs/dbraw/zinc/59/79/10/569597910.db2.gz OYPZEHKJJZJGAE-UHFFFAOYSA-N 0 0 496.721 4.801 40 0 JJABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 ZINC000057316667 569598019 /nfs/dbraw/zinc/59/80/19/569598019.db2.gz GYFZUMDPSHLAJY-UHFFFAOYSA-N 0 0 475.364 4.531 40 0 JJABRN CN1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Br)c(Cl)c4)nc3c2)CC1 ZINC000059843014 569607841 /nfs/dbraw/zinc/60/78/41/569607841.db2.gz RODGAIRFUMDQNF-UHFFFAOYSA-N 0 0 469.166 4.952 40 0 JJABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2s1 ZINC000059294486 569602642 /nfs/dbraw/zinc/60/26/42/569602642.db2.gz MJDFZZCWKOTNPK-UHFFFAOYSA-N 0 0 463.382 4.534 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000059427848 569603608 /nfs/dbraw/zinc/60/36/08/569603608.db2.gz XXNDFKGTULFZQI-DLBLZJNESA-N 0 0 488.996 4.605 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000059444234 569603983 /nfs/dbraw/zinc/60/39/83/569603983.db2.gz FTRLNGAHQCLKFI-UHFFFAOYSA-N 0 0 493.412 4.874 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000059444233 569604010 /nfs/dbraw/zinc/60/40/10/569604010.db2.gz YZQXTXDDPFKCLT-UHFFFAOYSA-N 0 0 493.412 4.874 40 0 JJABRN COc1ccc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc1I ZINC000059459462 569604078 /nfs/dbraw/zinc/60/40/78/569604078.db2.gz PVJSMEJYVUROTI-HNNXBMFYSA-N 0 0 495.367 4.736 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C ZINC000059472021 569604412 /nfs/dbraw/zinc/60/44/12/569604412.db2.gz ATDPEZNETAETTE-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)NC[C@@H]1CCCO1 ZINC000059474865 569604617 /nfs/dbraw/zinc/60/46/17/569604617.db2.gz FXRSXMJILKBHGR-INIZCTEOSA-N 0 0 461.996 4.589 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 ZINC000059475229 569604717 /nfs/dbraw/zinc/60/47/17/569604717.db2.gz QBUPSZJUDXYZNU-UHFFFAOYSA-N 0 0 477.424 4.651 40 0 JJABRN Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2I)cc1 ZINC000059502226 569606191 /nfs/dbraw/zinc/60/61/91/569606191.db2.gz REBUVAXSSTZIIM-UHFFFAOYSA-N 0 0 496.304 4.500 40 0 JJABRN Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2I)c1 ZINC000059502350 569606284 /nfs/dbraw/zinc/60/62/84/569606284.db2.gz CVZQREONOADDBF-UHFFFAOYSA-N 0 0 496.304 4.500 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000059515901 569606461 /nfs/dbraw/zinc/60/64/61/569606461.db2.gz ICCXHQAHVYGDHT-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1Cl ZINC000059559056 569606802 /nfs/dbraw/zinc/60/68/02/569606802.db2.gz WWDIWSVYRGWZCK-UHFFFAOYSA-N 0 0 483.012 4.928 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3Cl)n2c2cc(C(=O)N[C@H](C)CC)ccc2c1=O ZINC000032986058 569608752 /nfs/dbraw/zinc/60/87/52/569608752.db2.gz ANSTXMCVVUDCMA-OAHLLOKOSA-N 0 0 484.025 4.928 40 0 JJABRN CCCn1c2nnc(SCc3cccc(F)c3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000032986123 569608789 /nfs/dbraw/zinc/60/87/89/569608789.db2.gz GCIXHAXTROROQH-UHFFFAOYSA-N 0 0 479.581 4.558 40 0 JJABRN O=C(COC1=NC=N[C@H]2SC=C(c3ccc(Br)cc3)[C@H]12)N1CCc2ccccc2C1 ZINC000062733038 569614674 /nfs/dbraw/zinc/61/46/74/569614674.db2.gz VQQWLLRCJKECAV-GGAORHGYSA-N 0 0 482.403 4.521 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000033375627 569625270 /nfs/dbraw/zinc/62/52/70/569625270.db2.gz ZXOVQGYHTXVDBC-UHFFFAOYSA-N 0 0 470.513 4.642 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000033421797 569626086 /nfs/dbraw/zinc/62/60/86/569626086.db2.gz PZKHHZJRKCLEDK-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033525867 569627253 /nfs/dbraw/zinc/62/72/53/569627253.db2.gz OUNZDEJOIUFDEK-GFCCVEGCSA-N 0 0 496.395 4.966 40 0 JJABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 ZINC000033529322 569627419 /nfs/dbraw/zinc/62/74/19/569627419.db2.gz IURKUZBTSJXQKE-UHFFFAOYSA-N 0 0 493.677 4.750 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2)cc1 ZINC000033557986 569627786 /nfs/dbraw/zinc/62/77/86/569627786.db2.gz SOAQERIZVQDVIO-UHFFFAOYSA-N 0 0 483.348 4.975 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033603979 569628660 /nfs/dbraw/zinc/62/86/60/569628660.db2.gz XWSYTDINYGCATE-LBPRGKRZSA-N 0 0 496.395 4.966 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)o1 ZINC000033628552 569629165 /nfs/dbraw/zinc/62/91/65/569629165.db2.gz 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CCOc1ccc([C@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101211843 569787210 /nfs/dbraw/zinc/78/72/10/569787210.db2.gz GSABNNPPGFSLPR-SDHOMARFSA-N 0 0 458.514 4.535 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000101224335 569787442 /nfs/dbraw/zinc/78/74/42/569787442.db2.gz OXTBQFFIMWQXLJ-ZRBLBEILSA-N 0 0 493.357 4.899 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000101226245 569787536 /nfs/dbraw/zinc/78/75/36/569787536.db2.gz YRLAJCYNFMQPET-VABKMULXSA-N 0 0 493.357 4.817 40 0 JJABRN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101226124 569787559 /nfs/dbraw/zinc/78/75/59/569787559.db2.gz YQRGJUQFSZDSIT-PVHODMMVSA-N 0 0 477.520 4.849 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c[nH]c4ccc(Br)cc34)C2=O)o1 ZINC000038159783 569799598 /nfs/dbraw/zinc/79/95/98/569799598.db2.gz IZTOQIKGNFHSQG-OMCISZLKSA-N 0 0 461.293 4.547 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1cccc(Cl)c1Cl ZINC000038178160 569799908 /nfs/dbraw/zinc/79/99/08/569799908.db2.gz QILYWKDCELYPGZ-UHFFFAOYSA-N 0 0 474.167 4.977 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000038181044 569800259 /nfs/dbraw/zinc/80/02/59/569800259.db2.gz ZNXOIBJWKUUCHB-UHFFFAOYSA-N 0 0 467.776 4.643 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC ZINC000038753984 569806728 /nfs/dbraw/zinc/80/67/28/569806728.db2.gz YWUVTJDJCDQQJI-QGZVFWFLSA-N 0 0 450.560 4.753 40 0 JJABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000038755214 569807009 /nfs/dbraw/zinc/80/70/09/569807009.db2.gz ADBBVPWXYYCCDR-JWQCQUIFSA-N 0 0 450.604 4.754 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000038755361 569807043 /nfs/dbraw/zinc/80/70/43/569807043.db2.gz SMICVAIRFHRBQA-KRWDZBQOSA-N 0 0 455.407 4.607 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000038771437 569807534 /nfs/dbraw/zinc/80/75/34/569807534.db2.gz ASTLIDQWRHVKGM-UHFFFAOYSA-N 0 0 493.412 4.856 40 0 JJABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000038772640 569807734 /nfs/dbraw/zinc/80/77/34/569807734.db2.gz OBIVUYMBHOTBOC-CJLVFECKSA-N 0 0 450.560 4.561 40 0 JJABRN O=C1C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)NC(=S)N1c1ccccc1 ZINC000039556419 569810347 /nfs/dbraw/zinc/81/03/47/569810347.db2.gz AHGOXSHBEVGBIZ-HMAPJEAMSA-N 0 0 483.549 4.711 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCC(C)CC3)c21 ZINC000039556689 569810688 /nfs/dbraw/zinc/81/06/88/569810688.db2.gz WZAPJGOOONAMFK-JLPGSUDCSA-N 0 0 486.641 4.724 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000039556747 569810741 /nfs/dbraw/zinc/81/07/41/569810741.db2.gz IFUWCQSUKWXQMS-IWIPYMOSSA-N 0 0 486.641 4.705 40 0 JJABRN O=C(Nc1ccc(I)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039757222 569811455 /nfs/dbraw/zinc/81/14/55/569811455.db2.gz SPIHJAWYHFHYJR-UHFFFAOYSA-N 0 0 472.729 4.934 40 0 JJABRN CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000039765523 569811692 /nfs/dbraw/zinc/81/16/92/569811692.db2.gz ZVSBCJONUBGUFG-UHFFFAOYSA-N 0 0 457.515 4.668 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)c1-c1ccc(Cl)cc1 ZINC000039963900 569812560 /nfs/dbraw/zinc/81/25/60/569812560.db2.gz CONNTUNAUVQIQY-UHFFFAOYSA-N 0 0 472.332 4.814 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000039986406 569813193 /nfs/dbraw/zinc/81/31/93/569813193.db2.gz PJEFFUYNMCCKSX-UHFFFAOYSA-N 0 0 464.893 4.650 40 0 JJABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102705432 569816331 /nfs/dbraw/zinc/81/63/31/569816331.db2.gz FPNWRGDFUMDEGI-FDFHNCONSA-N 0 0 463.331 4.809 40 0 JJABRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102751877 569820909 /nfs/dbraw/zinc/82/09/09/569820909.db2.gz CLFLKKAXZPKSEK-TZRRMPRUSA-N 0 0 478.932 4.804 40 0 JJABRN O=C1[C@@H]2[C@H](c3ccc(F)c(Br)c3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102760867 569822059 /nfs/dbraw/zinc/82/20/59/569822059.db2.gz BKCRHPMTXGBVNX-HKBOAZHASA-N 0 0 485.284 4.778 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102761498 569822365 /nfs/dbraw/zinc/82/23/65/569822365.db2.gz MOLRWMHDRADDEH-BHIFYINESA-N 0 0 497.320 4.648 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(Br)cc1 ZINC000040372499 569824098 /nfs/dbraw/zinc/82/40/98/569824098.db2.gz YUQYRMQQXLDBHL-UHFFFAOYSA-N 0 0 466.339 4.569 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1ccc(Br)cc1 ZINC000040372501 569824104 /nfs/dbraw/zinc/82/41/04/569824104.db2.gz TXFWDXKEQRPARF-UHFFFAOYSA-N 0 0 480.366 4.878 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(OC)cc1 ZINC000040372570 569824137 /nfs/dbraw/zinc/82/41/37/569824137.db2.gz QFPIAGHSMYCKHT-UHFFFAOYSA-N 0 0 471.439 4.526 40 0 JJABRN CCc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(F)cc1 ZINC000040391745 569825303 /nfs/dbraw/zinc/82/53/03/569825303.db2.gz CWMHIHVKKADSTK-UHFFFAOYSA-N 0 0 470.483 4.671 40 0 JJABRN COCc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(Cl)cc45)ccc32)c1-c1ccccc1 ZINC000040391249 569825329 /nfs/dbraw/zinc/82/53/29/569825329.db2.gz ANBPWEPUYNIWOW-UHFFFAOYSA-N 0 0 484.947 4.630 40 0 JJABRN CCc1nn2c(nnc3c2ccn(CCc2ccc(OC)c(OC)c2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395897 569825476 /nfs/dbraw/zinc/82/54/76/569825476.db2.gz VNWRGINSUKQXAI-UHFFFAOYSA-N 0 0 489.963 4.582 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396137 569825507 /nfs/dbraw/zinc/82/55/07/569825507.db2.gz RMWGTXFAVDNKPZ-QMTMVMCOSA-N 0 0 451.958 4.903 40 0 JJABRN COCc1nn2c(ncc3c2ccn(CCc2c[nH]c4ccc(C)cc24)c3=O)c1-c1ccccc1 ZINC000040396469 569825714 /nfs/dbraw/zinc/82/57/14/569825714.db2.gz BDTDZTFDIYSTIO-UHFFFAOYSA-N 0 0 463.541 4.890 40 0 JJABRN COCc1nn2c(ncc3c2ccn(Cc2ccccc2OC)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397772 569825780 /nfs/dbraw/zinc/82/57/80/569825780.db2.gz AIGNUPPQPXRJJN-UHFFFAOYSA-N 0 0 460.921 4.568 40 0 JJABRN COCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397891 569825922 /nfs/dbraw/zinc/82/59/22/569825922.db2.gz NUHHNNNBFQGPTD-UHFFFAOYSA-N 0 0 450.951 4.815 40 0 JJABRN O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399196 569826264 /nfs/dbraw/zinc/82/62/64/569826264.db2.gz DWXFNYMOHVNGAM-GOSISDBHSA-N 0 0 483.553 4.729 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399296 569826391 /nfs/dbraw/zinc/82/63/91/569826391.db2.gz KSTREMLLURNSKY-CQSZACIVSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399392 569826505 /nfs/dbraw/zinc/82/65/05/569826505.db2.gz GEAWZXIYSJGSAJ-CQSZACIVSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c(C)c1 ZINC000040399447 569826707 /nfs/dbraw/zinc/82/67/07/569826707.db2.gz QYLDTPSNVOAKKG-OAHLLOKOSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)c1 ZINC000040399572 569826804 /nfs/dbraw/zinc/82/68/04/569826804.db2.gz BRPDGHRWMXKQEB-ZDUSSCGKSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400314 569827561 /nfs/dbraw/zinc/82/75/61/569827561.db2.gz IHEJAQMTHAFPIM-CYBMUJFWSA-N 0 0 491.857 4.559 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400308 569827669 /nfs/dbraw/zinc/82/76/69/569827669.db2.gz NEBADCDQRHFMJC-AWEZNQCLSA-N 0 0 491.857 4.559 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc(OCC)c1OCC ZINC000040717592 569830434 /nfs/dbraw/zinc/83/04/34/569830434.db2.gz LOHIVMXDCBSBBK-UHFFFAOYSA-N 0 0 497.636 4.830 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000040718030 569830636 /nfs/dbraw/zinc/83/06/36/569830636.db2.gz QPMNQSVPSKPLBO-SYZQJQIISA-N 0 0 475.976 4.963 40 0 JJABRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)/N=c1/sccn1Cc1ccc(Cl)cc1Cl ZINC000103047561 569832253 /nfs/dbraw/zinc/83/22/53/569832253.db2.gz XHKTYBKSKQSYJV-FCDQGJHFSA-N 0 0 489.833 4.849 40 0 JJABRN CCOc1cc(/C=C2/SC(=N)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000041077986 569835913 /nfs/dbraw/zinc/83/59/13/569835913.db2.gz RLEKLRNANFWEKB-CXUHLZMHSA-N 0 0 451.317 4.705 40 0 JJABRN O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000103538308 569835982 /nfs/dbraw/zinc/83/59/82/569835982.db2.gz WMJPVJNBPYTWHY-FICKONGGSA-N 0 0 471.516 4.601 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c(Br)c1 ZINC000103715685 569837304 /nfs/dbraw/zinc/83/73/04/569837304.db2.gz UBUKLBMTVZGPJS-LBPRGKRZSA-N 0 0 452.146 4.512 40 0 JJABRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Br)CC2=O)c1C ZINC000103718290 569837438 /nfs/dbraw/zinc/83/74/38/569837438.db2.gz XPRAGFOMCMZIDD-CYBMUJFWSA-N 0 0 466.173 4.820 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=N[C@@H]1c1ccc(OC)cc1 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CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCC(=O)OC ZINC000215273699 569877308 /nfs/dbraw/zinc/87/73/08/569877308.db2.gz ICAMVZHWBIPGGZ-VXLYETTFSA-N 0 0 479.913 4.666 40 0 JJABRN O=C(NCCSCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216306790 569878284 /nfs/dbraw/zinc/87/82/84/569878284.db2.gz UWOCUAOJTXACFX-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1OC ZINC000216324589 569878340 /nfs/dbraw/zinc/87/83/40/569878340.db2.gz OHOIQQFCNSSXHK-HNNXBMFYSA-N 0 0 474.966 4.649 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1 ZINC000216349986 569878474 /nfs/dbraw/zinc/87/84/74/569878474.db2.gz RFZGAZASQPQPAA-DEOSSOPVSA-N 0 0 469.006 4.952 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(Cl)c1 ZINC000216372587 569878542 /nfs/dbraw/zinc/87/85/42/569878542.db2.gz BLRBUVITFCPBBZ-UHFFFAOYSA-N 0 0 472.950 4.598 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000216396530 569878626 /nfs/dbraw/zinc/87/86/26/569878626.db2.gz NEJZOQHWZJGPJX-XMMPIXPASA-N 0 0 488.650 4.642 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000216404428 569878669 /nfs/dbraw/zinc/87/86/69/569878669.db2.gz RYGCIHBKYGZJSB-HSZRJFAPSA-N 0 0 476.520 4.686 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000216424194 569878796 /nfs/dbraw/zinc/87/87/96/569878796.db2.gz WRCRYWZKIFLTPW-KRWDZBQOSA-N 0 0 465.015 4.794 40 0 JJABRN Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000216449085 569878906 /nfs/dbraw/zinc/87/89/06/569878906.db2.gz XWBRRFPHGGUVQC-UHFFFAOYSA-N 0 0 479.440 4.555 40 0 JJABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000216447458 569878916 /nfs/dbraw/zinc/87/89/16/569878916.db2.gz ZJSMLYFNWZSDAY-UHFFFAOYSA-N 0 0 466.559 4.808 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000216461440 569878953 /nfs/dbraw/zinc/87/89/53/569878953.db2.gz JOGCZTMYQHBXQX-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000216458531 569878974 /nfs/dbraw/zinc/87/89/74/569878974.db2.gz IKKBHRKAPUHMJU-UHFFFAOYSA-N 0 0 456.589 4.844 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222474410 569884533 /nfs/dbraw/zinc/88/45/33/569884533.db2.gz HFRAYBQQHDBFFL-CPJSRVTESA-N 0 0 470.610 4.585 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222478461 569884588 /nfs/dbraw/zinc/88/45/88/569884588.db2.gz JXMBSYSGDVFHPQ-NLFFAJNJSA-N 0 0 462.590 4.949 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222490853 569884778 /nfs/dbraw/zinc/88/47/78/569884778.db2.gz PGRJYCPFFAQSLG-HSZRJFAPSA-N 0 0 455.385 4.922 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccccc1C ZINC000222494098 569884833 /nfs/dbraw/zinc/88/48/33/569884833.db2.gz ARNOOTLLNJIYHZ-RUZDIDTESA-N 0 0 464.606 4.753 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222501598 569884955 /nfs/dbraw/zinc/88/49/55/569884955.db2.gz FRNDVCMJCWPEGU-YKSBVNFPSA-N 0 0 456.652 4.959 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222528084 569885136 /nfs/dbraw/zinc/88/51/36/569885136.db2.gz NVISPMSAWXUNTK-XMMPIXPASA-N 0 0 482.983 4.861 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 ZINC000222542253 569885434 /nfs/dbraw/zinc/88/54/34/569885434.db2.gz HLWVQTCTUFUJOB-XMMPIXPASA-N 0 0 450.579 4.612 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222542914 569885461 /nfs/dbraw/zinc/88/54/61/569885461.db2.gz GEJSSPZWMHQOGL-RUZDIDTESA-N 0 0 464.606 4.753 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222547334 569885572 /nfs/dbraw/zinc/88/55/72/569885572.db2.gz PAWNYFDZUWOSRS-HHHXNRCGSA-N 0 0 476.592 4.925 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222550131 569885598 /nfs/dbraw/zinc/88/55/98/569885598.db2.gz IRUGYZBJBKWCIM-HHHXNRCGSA-N 0 0 458.602 4.786 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222566977 569885926 /nfs/dbraw/zinc/88/59/26/569885926.db2.gz SMUUCXSDMRRPHY-HYBUGGRVSA-N 0 0 456.652 4.693 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000222571122 569886028 /nfs/dbraw/zinc/88/60/28/569886028.db2.gz LCNZMXYRCANTCQ-HNNXBMFYSA-N 0 0 489.797 4.798 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000222575808 569886134 /nfs/dbraw/zinc/88/61/34/569886134.db2.gz KSDZSEOAQPOXNG-UHFFFAOYSA-N 0 0 496.972 4.925 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222577653 569886152 /nfs/dbraw/zinc/88/61/52/569886152.db2.gz JFSZFCFRFLYBOD-UHFFFAOYSA-N 0 0 490.581 4.889 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000222578305 569886190 /nfs/dbraw/zinc/88/61/90/569886190.db2.gz ZMXMSQFILWEPJR-SANMLTNESA-N 0 0 470.544 4.744 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222579435 569886208 /nfs/dbraw/zinc/88/62/08/569886208.db2.gz JHAPYLKREVCLCR-SANMLTNESA-N 0 0 462.565 4.714 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 ZINC000222588558 569886413 /nfs/dbraw/zinc/88/64/13/569886413.db2.gz QOTIXXXSIVEWOV-VWLOTQADSA-N 0 0 464.606 4.753 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000222588066 569886434 /nfs/dbraw/zinc/88/64/34/569886434.db2.gz OONOCTFZTJRPJB-DEOSSOPVSA-N 0 0 468.569 4.584 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C ZINC000222589541 569886444 /nfs/dbraw/zinc/88/64/44/569886444.db2.gz KQSYVVGFNCYGAI-RUZDIDTESA-N 0 0 462.565 4.714 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222602179 569886723 /nfs/dbraw/zinc/88/67/23/569886723.db2.gz JPBWIOSMNPBZGQ-WMZHIEFXSA-N 0 0 489.454 4.901 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)C2)cc1Cl ZINC000222606982 569886879 /nfs/dbraw/zinc/88/68/79/569886879.db2.gz LGPRUYGVBZSZCA-DOTOQJQBSA-N 0 0 485.433 4.670 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000222612874 569886983 /nfs/dbraw/zinc/88/69/83/569886983.db2.gz WTACIKFYTSILHV-HXUWFJFHSA-N 0 0 486.678 4.977 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222627289 569887272 /nfs/dbraw/zinc/88/72/72/569887272.db2.gz FMPQYLOYHPEPPH-VWLOTQADSA-N 0 0 493.445 4.995 40 0 JJABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222634960 569887446 /nfs/dbraw/zinc/88/74/46/569887446.db2.gz JQMVGCOCLGNKSW-GOSISDBHSA-N 0 0 483.373 4.620 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222646343 569887685 /nfs/dbraw/zinc/88/76/85/569887685.db2.gz ZVJZEJQOEJONON-GOSISDBHSA-N 0 0 479.027 4.659 40 0 JJABRN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656638 569887835 /nfs/dbraw/zinc/88/78/35/569887835.db2.gz IKDLQRAZYYTDFJ-MYUZEXMDSA-N 0 0 474.582 4.723 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000222666036 569887964 /nfs/dbraw/zinc/88/79/64/569887964.db2.gz HINXAERVPVMXDF-DENIHFKCSA-N 0 0 458.624 4.657 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222680676 569888379 /nfs/dbraw/zinc/88/83/79/569888379.db2.gz VBZDSRNGOMEMIC-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(C)c1 ZINC000222693103 569888763 /nfs/dbraw/zinc/88/87/63/569888763.db2.gz GKLSFSWYVUTQHQ-DEOSSOPVSA-N 0 0 479.418 4.686 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(C)cc2)cc1OC ZINC000222695857 569888780 /nfs/dbraw/zinc/88/87/80/569888780.db2.gz DKEIQGTUTZOELU-XLNRJJMWSA-N 0 0 464.587 4.594 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000222699622 569888919 /nfs/dbraw/zinc/88/89/19/569888919.db2.gz LKAJSMSRAMGXTD-UHFFFAOYSA-N 0 0 480.483 4.741 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000222705280 569889104 /nfs/dbraw/zinc/88/91/04/569889104.db2.gz IFFLEADLQDXWEZ-NRFANRHFSA-N 0 0 467.393 4.713 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)S(C)(=O)=O)c1 ZINC000222730633 569889749 /nfs/dbraw/zinc/88/97/49/569889749.db2.gz NDERVCCLZIMYGJ-FQEVSTJZSA-N 0 0 494.613 4.532 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1Cl ZINC000222731738 569889783 /nfs/dbraw/zinc/88/97/83/569889783.db2.gz GGCQEXGAPQDNEQ-MRXNPFEDSA-N 0 0 486.977 4.506 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222733400 569889881 /nfs/dbraw/zinc/88/98/81/569889881.db2.gz ATVXPCDUXSTIIQ-UHFFFAOYSA-N 0 0 477.011 4.594 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222743971 569890110 /nfs/dbraw/zinc/89/01/10/569890110.db2.gz XECGODCWXLXSQY-HHHXNRCGSA-N 0 0 476.592 4.789 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222751675 569890234 /nfs/dbraw/zinc/89/02/34/569890234.db2.gz SQNKZYDNLIFGCT-UHFFFAOYSA-N 0 0 498.620 4.861 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222752728 569890301 /nfs/dbraw/zinc/89/03/01/569890301.db2.gz YCTABKVYXHAOBC-SANMLTNESA-N 0 0 462.565 4.617 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)c(C)c2)cc1 ZINC000222762663 569890524 /nfs/dbraw/zinc/89/05/24/569890524.db2.gz DQJBWTMOAXXWNP-UHFFFAOYSA-N 0 0 467.572 4.731 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000222770288 569890700 /nfs/dbraw/zinc/89/07/00/569890700.db2.gz FCRJDVLWJWNZJE-FQEVSTJZSA-N 0 0 495.019 4.676 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3cccc(N(C)S(=O)(=O)c4ccccc4)c3)s2)cc1 ZINC000222771104 569890703 /nfs/dbraw/zinc/89/07/03/569890703.db2.gz ZUBLBKDZSSDECC-UHFFFAOYSA-N 0 0 464.572 4.591 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222775543 569890771 /nfs/dbraw/zinc/89/07/71/569890771.db2.gz LFHVHEDFETVJPS-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000222783261 569890937 /nfs/dbraw/zinc/89/09/37/569890937.db2.gz FMMBBFBLKXRPDB-AWEZNQCLSA-N 0 0 457.423 4.589 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000222785820 569890991 /nfs/dbraw/zinc/89/09/91/569890991.db2.gz SHQYHYJRDOUDSQ-VWLOTQADSA-N 0 0 492.984 4.766 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222803084 569891432 /nfs/dbraw/zinc/89/14/32/569891432.db2.gz NPRBZYZLZAVLAK-KRWDZBQOSA-N 0 0 477.992 4.785 40 0 JJABRN C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803804 569891490 /nfs/dbraw/zinc/89/14/90/569891490.db2.gz IJLROWNHBXUAQD-KRWDZBQOSA-N 0 0 472.372 4.501 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222803273 569891496 /nfs/dbraw/zinc/89/14/96/569891496.db2.gz SWSNVCDUQIWBKR-XMMPIXPASA-N 0 0 456.652 4.877 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc2sncc2c1 ZINC000222803711 569891504 /nfs/dbraw/zinc/89/15/04/569891504.db2.gz XTLXELZPDSRCQR-UHFFFAOYSA-N 0 0 471.535 4.562 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222803578 569891531 /nfs/dbraw/zinc/89/15/31/569891531.db2.gz KIEKBHLFQHANGZ-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2)cc1 ZINC000222806566 569891591 /nfs/dbraw/zinc/89/15/91/569891591.db2.gz SXTFZEIGQXDEHP-LJQANCHMSA-N 0 0 480.586 4.551 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222809445 569891680 /nfs/dbraw/zinc/89/16/80/569891680.db2.gz JPLXOACKFZJLIZ-SFHVURJKSA-N 0 0 461.002 4.840 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222828031 569892080 /nfs/dbraw/zinc/89/20/80/569892080.db2.gz YDVLGOFTXGMMPD-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000222830792 569892142 /nfs/dbraw/zinc/89/21/42/569892142.db2.gz VTLTZCRGXRDYLB-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000222834649 569892237 /nfs/dbraw/zinc/89/22/37/569892237.db2.gz SEDZWJGCDCGJKZ-QFIPXVFZSA-N 0 0 489.374 4.897 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222836547 569892267 /nfs/dbraw/zinc/89/22/67/569892267.db2.gz LBEWEWNTAWAMAV-JOCHJYFZSA-N 0 0 461.002 4.676 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCc1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000222836355 569892279 /nfs/dbraw/zinc/89/22/79/569892279.db2.gz RORQIEZDKLSWNJ-UHFFFAOYSA-N 0 0 488.609 4.977 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222839161 569892308 /nfs/dbraw/zinc/89/23/08/569892308.db2.gz YQNGOMYEQYIEJY-HXUWFJFHSA-N 0 0 464.993 4.667 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222839291 569892357 /nfs/dbraw/zinc/89/23/57/569892357.db2.gz RFJKRQYCLMCQTF-SANMLTNESA-N 0 0 476.642 4.623 40 0 JJABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 ZINC000222840018 569892361 /nfs/dbraw/zinc/89/23/61/569892361.db2.gz SWFQIQGFCPGUDI-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222839859 569892395 /nfs/dbraw/zinc/89/23/95/569892395.db2.gz VTGZXBKTMMLAFC-RUZDIDTESA-N 0 0 497.060 4.968 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(C)cc1 ZINC000222840622 569892407 /nfs/dbraw/zinc/89/24/07/569892407.db2.gz HCCBYHGKJJVHGO-AREMUKBSSA-N 0 0 476.642 4.872 40 0 JJABRN COc1ccccc1N(CC(=O)NCc1cccc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000222844628 569892489 /nfs/dbraw/zinc/89/24/89/569892489.db2.gz MRJUPPNMJYQWSH-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848057 569892618 /nfs/dbraw/zinc/89/26/18/569892618.db2.gz HRFHBPJGBAJRMQ-QGZVFWFLSA-N 0 0 456.373 4.665 40 0 JJABRN CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222848069 569892623 /nfs/dbraw/zinc/89/26/23/569892623.db2.gz CYRAPKJYZHOYBT-AWEZNQCLSA-N 0 0 497.495 4.776 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000222851874 569892781 /nfs/dbraw/zinc/89/27/81/569892781.db2.gz DOEOPJUMBSSLEE-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000222872903 569893168 /nfs/dbraw/zinc/89/31/68/569893168.db2.gz XLMWXKAOVFQYND-HNNXBMFYSA-N 0 0 470.367 4.804 40 0 JJABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000222872844 569893210 /nfs/dbraw/zinc/89/32/10/569893210.db2.gz XLMWXKAOVFQYND-OAHLLOKOSA-N 0 0 470.367 4.804 40 0 JJABRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222882587 569893482 /nfs/dbraw/zinc/89/34/82/569893482.db2.gz BFFMUSXQZCZSLT-CQSZACIVSA-N 0 0 451.375 4.618 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000222884052 569893517 /nfs/dbraw/zinc/89/35/17/569893517.db2.gz HRMPGQVATVTMGS-AREMUKBSSA-N 0 0 474.601 4.584 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222889865 569893679 /nfs/dbraw/zinc/89/36/79/569893679.db2.gz WJPZPEMSPPULQZ-XMMPIXPASA-N 0 0 484.637 4.757 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Br ZINC000222890780 569893729 /nfs/dbraw/zinc/89/37/29/569893729.db2.gz DMUVYMLIKFKNBJ-QGZVFWFLSA-N 0 0 493.417 4.916 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222891067 569893752 /nfs/dbraw/zinc/89/37/52/569893752.db2.gz BAUHGKQEGLSFBL-CQSZACIVSA-N 0 0 499.808 4.952 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000222893714 569893783 /nfs/dbraw/zinc/89/37/83/569893783.db2.gz ZPJGOGCKSMHGAH-FQEVSTJZSA-N 0 0 460.599 4.739 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1)c1ccc(OC)c(C)c1 ZINC000222921267 569894402 /nfs/dbraw/zinc/89/44/02/569894402.db2.gz DOUOIJBRHNBSMR-GJZUVCINSA-N 0 0 494.613 4.536 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222921860 569894417 /nfs/dbraw/zinc/89/44/17/569894417.db2.gz AVGYQZRNKQWILR-INIZCTEOSA-N 0 0 481.818 4.652 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222924687 569894522 /nfs/dbraw/zinc/89/45/22/569894522.db2.gz KJAFXFBYWGOBHW-LJQANCHMSA-N 0 0 482.983 4.806 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccc(F)cc2)cc1 ZINC000222931201 569894741 /nfs/dbraw/zinc/89/47/41/569894741.db2.gz DOLPGNNTQSKLDH-IBGZPJMESA-N 0 0 496.604 4.786 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222932868 569894813 /nfs/dbraw/zinc/89/48/13/569894813.db2.gz ZSOKMWOKRYNDMN-QFIPXVFZSA-N 0 0 475.427 4.511 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222940051 569895035 /nfs/dbraw/zinc/89/50/35/569895035.db2.gz CEMCWXMOEDYNSQ-HNNXBMFYSA-N 0 0 479.404 4.987 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000222954199 569895364 /nfs/dbraw/zinc/89/53/64/569895364.db2.gz IGYFNYMPKPPSPY-HRFSGMKKSA-N 0 0 490.625 4.540 40 0 JJABRN COc1ccc(C(=O)N2CCc3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1 ZINC000222974523 569895853 /nfs/dbraw/zinc/89/58/53/569895853.db2.gz NOPPNYLGAISBDI-UHFFFAOYSA-N 0 0 450.560 4.624 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222985879 569896205 /nfs/dbraw/zinc/89/62/05/569896205.db2.gz XZEUOKFMLCWRPH-HUUCEWRRSA-N 0 0 469.434 4.904 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000222991753 569896417 /nfs/dbraw/zinc/89/64/17/569896417.db2.gz YIYYTLUTINKSID-XMMPIXPASA-N 0 0 466.603 4.775 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223017861 569896932 /nfs/dbraw/zinc/89/69/32/569896932.db2.gz QXDUROUSARFDNC-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc2ccccc21 ZINC000223020761 569896964 /nfs/dbraw/zinc/89/69/64/569896964.db2.gz NWOAYGWGHKXCOF-KRWDZBQOSA-N 0 0 469.379 4.535 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223026562 569897134 /nfs/dbraw/zinc/89/71/34/569897134.db2.gz LDKXGGBMEXZGJU-VQTJNVASSA-N 0 0 458.381 4.723 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 ZINC000223030045 569897246 /nfs/dbraw/zinc/89/72/46/569897246.db2.gz CLKAPGCYCLTTAW-IBGZPJMESA-N 0 0 475.427 4.778 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F ZINC000223030194 569897251 /nfs/dbraw/zinc/89/72/51/569897251.db2.gz UKAMIHQFNLPXDF-UHFFFAOYSA-N 0 0 452.857 4.683 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223031361 569897326 /nfs/dbraw/zinc/89/73/26/569897326.db2.gz IUGPCSVVFPAYMQ-MSOLQXFVSA-N 0 0 463.043 4.914 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223032568 569897357 /nfs/dbraw/zinc/89/73/57/569897357.db2.gz PZGPUAPZISJBEF-CYBMUJFWSA-N 0 0 472.210 4.852 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223035422 569897402 /nfs/dbraw/zinc/89/74/02/569897402.db2.gz FDDYIRDAKANKLW-GOSISDBHSA-N 0 0 477.468 4.853 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000223044981 569897638 /nfs/dbraw/zinc/89/76/38/569897638.db2.gz HXXUKUMIVZDGNH-UHFFFAOYSA-N 0 0 450.604 4.636 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223046273 569897664 /nfs/dbraw/zinc/89/76/64/569897664.db2.gz HBEHKZSWHLURQO-HXUWFJFHSA-N 0 0 469.434 4.906 40 0 JJABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000223055158 569897949 /nfs/dbraw/zinc/89/79/49/569897949.db2.gz XVRZFWVDDZBQSW-SANMLTNESA-N 0 0 488.628 4.803 40 0 JJABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223064016 569898266 /nfs/dbraw/zinc/89/82/66/569898266.db2.gz SJXYTDHSDQJVDP-SFTDATJTSA-N 0 0 460.525 4.900 40 0 JJABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 ZINC000223065353 569898299 /nfs/dbraw/zinc/89/82/99/569898299.db2.gz HCOHZFQIXYXNFT-RTWAWAEBSA-N 0 0 471.424 4.644 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223081745 569898878 /nfs/dbraw/zinc/89/88/78/569898878.db2.gz DMTCAWNSCLNKJK-CYBMUJFWSA-N 0 0 472.210 4.852 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223068416 569898421 /nfs/dbraw/zinc/89/84/21/569898421.db2.gz SRFZMXLBMFMKIH-LJAQVGFWSA-N 0 0 477.608 4.971 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc2c(c1)CCCC2 ZINC000223069301 569898492 /nfs/dbraw/zinc/89/84/92/569898492.db2.gz LJZRSWCENKHFIV-RUZDIDTESA-N 0 0 454.636 4.930 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223070980 569898515 /nfs/dbraw/zinc/89/85/15/569898515.db2.gz WKZJTRXPJODZSS-VWLOTQADSA-N 0 0 484.662 4.876 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2O1 ZINC000223072593 569898600 /nfs/dbraw/zinc/89/86/00/569898600.db2.gz RIPHGGCJIZWPBL-JOCHJYFZSA-N 0 0 456.608 4.674 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1Cl ZINC000223076432 569898709 /nfs/dbraw/zinc/89/87/09/569898709.db2.gz JXOROLREDWEPAY-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1Cl ZINC000223076503 569898751 /nfs/dbraw/zinc/89/87/51/569898751.db2.gz JXOROLREDWEPAY-HNNXBMFYSA-N 0 0 451.792 4.589 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223079609 569898830 /nfs/dbraw/zinc/89/88/30/569898830.db2.gz USWKVZCDWJVCJS-IBGZPJMESA-N 0 0 475.427 4.778 40 0 JJABRN COc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080614 569898862 /nfs/dbraw/zinc/89/88/62/569898862.db2.gz BESRCGAMHPAILG-SFHVURJKSA-N 0 0 461.002 4.840 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1I ZINC000223084309 569898935 /nfs/dbraw/zinc/89/89/35/569898935.db2.gz ISIQPNFRLFYPRQ-RTBURBONSA-N 0 0 480.419 4.936 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(C)c3)s2)cc1 ZINC000223096931 569899340 /nfs/dbraw/zinc/89/93/40/569899340.db2.gz SGWUZZOJRDQIKL-UHFFFAOYSA-N 0 0 464.572 4.875 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc2c(c1)CCCC2 ZINC000223100879 569899449 /nfs/dbraw/zinc/89/94/49/569899449.db2.gz FNKQGEVGJIVLIV-RDGATRHJSA-N 0 0 484.662 4.657 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223104108 569899509 /nfs/dbraw/zinc/89/95/09/569899509.db2.gz 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223115609 569899859 /nfs/dbraw/zinc/89/98/59/569899859.db2.gz LREHESPVRZVIFW-MHZLTWQESA-N 0 0 474.601 4.630 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2cccc(C)c2C)cc1 ZINC000223117986 569899916 /nfs/dbraw/zinc/89/99/16/569899916.db2.gz OMFNZPLVKXGRKL-UHFFFAOYSA-N 0 0 464.631 4.945 40 0 JJABRN CC[C@@H](NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223119776 569900023 /nfs/dbraw/zinc/90/00/23/569900023.db2.gz DRGNTZLNBGYSRV-XMMPIXPASA-N 0 0 456.652 4.996 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223119516 569900029 /nfs/dbraw/zinc/90/00/29/569900029.db2.gz NMYCMOVYPLBDMV-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Br ZINC000223121873 569900099 /nfs/dbraw/zinc/90/00/99/569900099.db2.gz CHKBGPCXSWIMTD-CABCVRRESA-N 0 0 499.808 4.952 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223122976 569900184 /nfs/dbraw/zinc/90/01/84/569900184.db2.gz JPZWZHIGCXLUNE-BJKOFHAPSA-N 0 0 460.603 4.964 40 0 JJABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000223125002 569900203 /nfs/dbraw/zinc/90/02/03/569900203.db2.gz OQLYLBPSIDYNNS-NRFANRHFSA-N 0 0 468.638 4.791 40 0 JJABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223133572 569900594 /nfs/dbraw/zinc/90/05/94/569900594.db2.gz AVYCZXCBSGEZTR-DEOSSOPVSA-N 0 0 493.003 4.981 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223135173 569900650 /nfs/dbraw/zinc/90/06/50/569900650.db2.gz CXWAFRIAEWZRDO-AREMUKBSSA-N 0 0 479.020 4.675 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000223137229 569900754 /nfs/dbraw/zinc/90/07/54/569900754.db2.gz HEHGDZLHKUJYHM-QGZVFWFLSA-N 0 0 472.994 4.806 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1Cl ZINC000223139484 569900821 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CNMHZOGQBWWNCB-ZEQRLZLVSA-N 0 0 483.037 4.608 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000223165345 569901685 /nfs/dbraw/zinc/90/16/85/569901685.db2.gz QKTVKCRLKSYWOX-HXUWFJFHSA-N 0 0 461.400 4.550 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000223166649 569901749 /nfs/dbraw/zinc/90/17/49/569901749.db2.gz NWMDBKBTZBVBTP-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 ZINC000223166727 569901762 /nfs/dbraw/zinc/90/17/62/569901762.db2.gz DMMMSTDLHIEOPM-HHHXNRCGSA-N 0 0 458.602 4.712 40 0 JJABRN CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)s1 ZINC000223166205 569901781 /nfs/dbraw/zinc/90/17/81/569901781.db2.gz UCPPOBFPRULDLA-UHFFFAOYSA-N 0 0 462.622 4.710 40 0 JJABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1C ZINC000223167903 569901819 /nfs/dbraw/zinc/90/18/19/569901819.db2.gz WVSGGXVDZNIZKT-GFCCVEGCSA-N 0 0 485.418 4.754 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 ZINC000223175831 569902155 /nfs/dbraw/zinc/90/21/55/569902155.db2.gz GKIQPFBTYOWXGV-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1)S(C)(=O)=O ZINC000223176953 569902176 /nfs/dbraw/zinc/90/21/76/569902176.db2.gz DHPXLHMINTWAAN-FQEVSTJZSA-N 0 0 462.615 4.941 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC ZINC000223178353 569902203 /nfs/dbraw/zinc/90/22/03/569902203.db2.gz BIVFYJODDCBMDD-PHCAOYFPSA-N 0 0 490.556 4.795 40 0 JJABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000223179321 569902290 /nfs/dbraw/zinc/90/22/90/569902290.db2.gz CFBMKWUQHNBJMP-DQEYMECFSA-N 0 0 494.686 4.829 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl ZINC000223181419 569902364 /nfs/dbraw/zinc/90/23/64/569902364.db2.gz AEGPRSOGLOMWSS-HOTGVXAUSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223182029 569902431 /nfs/dbraw/zinc/90/24/31/569902431.db2.gz DRFUUXHJOYYWDH-LJQANCHMSA-N 0 0 481.818 4.652 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223183690 569902534 /nfs/dbraw/zinc/90/25/34/569902534.db2.gz MRWONFXXPNGPOA-KRWDZBQOSA-N 0 0 488.209 4.688 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000223192084 569902814 /nfs/dbraw/zinc/90/28/14/569902814.db2.gz DTFQAQSUDDWYHU-QFIPXVFZSA-N 0 0 470.566 4.606 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000223192026 569902816 /nfs/dbraw/zinc/90/28/16/569902816.db2.gz DTFQAQSUDDWYHU-JOCHJYFZSA-N 0 0 470.566 4.606 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223198910 569903206 /nfs/dbraw/zinc/90/32/06/569903206.db2.gz WGCSAGCBZBKLHH-HZPDHXFCSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223202135 569903245 /nfs/dbraw/zinc/90/32/45/569903245.db2.gz LPCOLDXFOXSJEZ-HOTGVXAUSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223203402 569903303 /nfs/dbraw/zinc/90/33/03/569903303.db2.gz TZCGGUYAEKYCHI-IRXDYDNUSA-N 0 0 463.441 4.873 40 0 JJABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1Cl ZINC000223204590 569903395 /nfs/dbraw/zinc/90/33/95/569903395.db2.gz PHPZOVLHXAOCGP-DQEYMECFSA-N 0 0 497.064 4.998 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SCC(C)C)s2)c2ccccc2F)cc1 ZINC000223209220 569903547 /nfs/dbraw/zinc/90/35/47/569903547.db2.gz OKEKRQDLIMUUFA-UHFFFAOYSA-N 0 0 494.639 4.568 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223209345 569903552 /nfs/dbraw/zinc/90/35/52/569903552.db2.gz UYVMFFULLRRRIK-HHHXNRCGSA-N 0 0 476.592 4.551 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223210171 569903557 /nfs/dbraw/zinc/90/35/57/569903557.db2.gz YSYDRHYUJYMKFI-NDEPHWFRSA-N 0 0 488.628 4.939 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223209608 569903561 /nfs/dbraw/zinc/90/35/61/569903561.db2.gz SOGYJBAVMLSBFR-MHZLTWQESA-N 0 0 458.602 4.767 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCCC1 ZINC000223212545 569903682 /nfs/dbraw/zinc/90/36/82/569903682.db2.gz MBRQRIFMOWSDAE-KRWDZBQOSA-N 0 0 458.649 4.563 40 0 JJABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223213259 569903711 /nfs/dbraw/zinc/90/37/11/569903711.db2.gz MWCWMRIQMLIQCP-SANMLTNESA-N 0 0 497.010 4.814 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223218528 569903892 /nfs/dbraw/zinc/90/38/92/569903892.db2.gz QSGXPXZYXRJTNE-MHZLTWQESA-N 0 0 486.543 4.754 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223218949 569903896 /nfs/dbraw/zinc/90/38/96/569903896.db2.gz OLNFZVZABXBIDC-NDEPHWFRSA-N 0 0 497.570 4.556 40 0 JJABRN 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ZINC000223255949 569905061 /nfs/dbraw/zinc/90/50/61/569905061.db2.gz XFRGIFSYKCSXOL-CVEARBPZSA-N 0 0 465.819 4.977 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223255678 569905090 /nfs/dbraw/zinc/90/50/90/569905090.db2.gz DSXYCIVEEBGHRU-NDEPHWFRSA-N 0 0 488.628 4.939 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000223255636 569905101 /nfs/dbraw/zinc/90/51/01/569905101.db2.gz BNHBXXHAPOALGX-JKSUJKDBSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1)c1ccc(OC)c(C)c1 ZINC000223256783 569905132 /nfs/dbraw/zinc/90/51/32/569905132.db2.gz NTSGJULBPKGMJB-DEOSSOPVSA-N 0 0 482.602 4.718 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 ZINC000223256303 569905152 /nfs/dbraw/zinc/90/51/52/569905152.db2.gz ICVKHIMXFPFZGY-OAQYLSRUSA-N 0 0 475.427 4.858 40 0 JJABRN COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2Cl)cc1 ZINC000223259088 569905173 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ZINC000223419808 569910704 /nfs/dbraw/zinc/91/07/04/569910704.db2.gz XPOXWEUHTKXSHL-RUZDIDTESA-N 0 0 466.990 4.923 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223421567 569910751 /nfs/dbraw/zinc/91/07/51/569910751.db2.gz FLYICTROPAXPFX-AREMUKBSSA-N 0 0 464.993 4.805 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c2ccc(F)cc2)cc1 ZINC000223424908 569910877 /nfs/dbraw/zinc/91/08/77/569910877.db2.gz BDRSIWSBZKATFC-FQEVSTJZSA-N 0 0 484.593 4.832 40 0 JJABRN COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223425441 569910892 /nfs/dbraw/zinc/91/08/92/569910892.db2.gz IWSPGMZFUOPZFV-SANMLTNESA-N 0 0 464.993 4.805 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223424956 569910911 /nfs/dbraw/zinc/91/09/11/569910911.db2.gz HUDVOTUJJUHYDB-OAQYLSRUSA-N 0 0 456.652 4.879 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000223424743 569910914 /nfs/dbraw/zinc/91/09/14/569910914.db2.gz CNRUYCDSUSEEBB-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223427706 569911011 /nfs/dbraw/zinc/91/10/11/569911011.db2.gz AIAOJOZGDUEYEX-YIXXDRMTSA-N 0 0 458.602 4.929 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000223429160 569911069 /nfs/dbraw/zinc/91/10/69/569911069.db2.gz AKPJCWSXGLZNCI-OZXSUGGESA-N 0 0 488.628 4.937 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223428722 569911100 /nfs/dbraw/zinc/91/11/00/569911100.db2.gz LFJAYOLWIXXOCX-QDPGVEIFSA-N 0 0 488.628 4.937 40 0 JJABRN CN([C@@H](C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1)S(C)(=O)=O ZINC000223433307 569911260 /nfs/dbraw/zinc/91/12/60/569911260.db2.gz DAIGNAILKDIRCJ-VTNVISAASA-N 0 0 452.620 4.726 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223435608 569911330 /nfs/dbraw/zinc/91/13/30/569911330.db2.gz WHTIMQQSZAPTQT-RPBOFIJWSA-N 0 0 455.587 4.508 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223436047 569911404 /nfs/dbraw/zinc/91/14/04/569911404.db2.gz OFDQSUPKFZUDHR-NRFANRHFSA-N 0 0 493.417 4.998 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223439880 569911507 /nfs/dbraw/zinc/91/15/07/569911507.db2.gz CJOVZTYMAPIMLY-FQEVSTJZSA-N 0 0 458.624 4.532 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(CC)cc1 ZINC000223442255 569911530 /nfs/dbraw/zinc/91/15/30/569911530.db2.gz BYDJSAAACVXSBV-AREMUKBSSA-N 0 0 462.565 4.543 40 0 JJABRN COc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c(OC)c1 ZINC000223442038 569911543 /nfs/dbraw/zinc/91/15/43/569911543.db2.gz KDBJAYAEKNPOKP-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1C ZINC000223442581 569911545 /nfs/dbraw/zinc/91/15/45/569911545.db2.gz JTYLTIPCLCLBQZ-SANMLTNESA-N 0 0 476.592 4.906 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223445333 569911610 /nfs/dbraw/zinc/91/16/10/569911610.db2.gz IYOLDXNBCDVYQL-IZZNHLLZSA-N 0 0 498.608 4.840 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223447894 569911721 /nfs/dbraw/zinc/91/17/21/569911721.db2.gz FYWMNHDUGFNDJJ-OAQYLSRUSA-N 0 0 499.405 4.543 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCc2ccc(C)c(C)c2)cc1OC ZINC000223453606 569911836 /nfs/dbraw/zinc/91/18/36/569911836.db2.gz OWYGZYZNYXAVIO-UHFFFAOYSA-N 0 0 460.574 4.864 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 ZINC000223455125 569911842 /nfs/dbraw/zinc/91/18/42/569911842.db2.gz KEUKONGVVVVSRZ-RUZDIDTESA-N 0 0 464.606 4.835 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223466746 569912220 /nfs/dbraw/zinc/91/22/20/569912220.db2.gz BBRVTCJNPTVMBX-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223468467 569912326 /nfs/dbraw/zinc/91/23/26/569912326.db2.gz ZDIZUYCEKLVKEC-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223482846 569912893 /nfs/dbraw/zinc/91/28/93/569912893.db2.gz SBGADTNEDVNERS-AREMUKBSSA-N 0 0 462.565 4.598 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223482911 569912897 /nfs/dbraw/zinc/91/28/97/569912897.db2.gz SBGADTNEDVNERS-SANMLTNESA-N 0 0 462.565 4.598 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223500484 569913733 /nfs/dbraw/zinc/91/37/33/569913733.db2.gz QDYIVSXCXLNXPU-LJQANCHMSA-N 0 0 461.002 4.841 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223504943 569913883 /nfs/dbraw/zinc/91/38/83/569913883.db2.gz ZPSIYACOVQTLNG-NDEPHWFRSA-N 0 0 483.543 4.686 40 0 JJABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508788 569913967 /nfs/dbraw/zinc/91/39/67/569913967.db2.gz JKUCQUOZNLIROF-JWQCQUIFSA-N 0 0 455.587 4.839 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223512564 569914091 /nfs/dbraw/zinc/91/40/91/569914091.db2.gz LXLYSAAXDIGEEL-HXUWFJFHSA-N 0 0 454.611 4.705 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000223514810 569914236 /nfs/dbraw/zinc/91/42/36/569914236.db2.gz UPNBBYJTJOBWJE-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000223516736 569914253 /nfs/dbraw/zinc/91/42/53/569914253.db2.gz QEFLMVCNWWNJSR-UHFFFAOYSA-N 0 0 492.572 4.678 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223517489 569914283 /nfs/dbraw/zinc/91/42/83/569914283.db2.gz WKZQNWKEQKDAHA-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223518531 569914315 /nfs/dbraw/zinc/91/43/15/569914315.db2.gz OGAUQCTXBJGSCV-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223520540 569914452 /nfs/dbraw/zinc/91/44/52/569914452.db2.gz OLUWBIXYCLCPLB-RPWUZVMVSA-N 0 0 470.554 4.696 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520276 569914453 /nfs/dbraw/zinc/91/44/53/569914453.db2.gz GQVBLBVWAHYPCW-DNQXCXABSA-N 0 0 470.554 4.696 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOc1cccc2ccccc21 ZINC000223524306 569914508 /nfs/dbraw/zinc/91/45/08/569914508.db2.gz MJZQPBCPBCOYNT-UHFFFAOYSA-N 0 0 474.582 4.615 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)cc1 ZINC000223525118 569914533 /nfs/dbraw/zinc/91/45/33/569914533.db2.gz ZXUHVYIKPDHHTL-UHFFFAOYSA-N 0 0 474.582 4.782 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223525847 569914610 /nfs/dbraw/zinc/91/46/10/569914610.db2.gz MDDVCQINHLZZLF-FQEVSTJZSA-N 0 0 496.629 4.647 40 0 JJABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223529271 569914688 /nfs/dbraw/zinc/91/46/88/569914688.db2.gz OQTMFGXGTPXHPI-NDEPHWFRSA-N 0 0 490.600 4.551 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCOc1cccc2ccccc21)c1cc(Cl)ccc1Cl ZINC000223539240 569915148 /nfs/dbraw/zinc/91/51/48/569915148.db2.gz PWQKRDBBXMUPOS-UHFFFAOYSA-N 0 0 495.428 4.888 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(=O)N1CCCCCC1 ZINC000223547435 569915496 /nfs/dbraw/zinc/91/54/96/569915496.db2.gz ZLOPASHCGCUZBU-UHFFFAOYSA-N 0 0 498.670 4.935 40 0 JJABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223546528 569915500 /nfs/dbraw/zinc/91/55/00/569915500.db2.gz GDEXMDDNTWRHGL-MUUNZHRXSA-N 0 0 490.600 4.551 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223547383 569915505 /nfs/dbraw/zinc/91/55/05/569915505.db2.gz VNUAKKSXXQAPAM-QGZVFWFLSA-N 0 0 495.845 4.857 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000223547113 569915508 /nfs/dbraw/zinc/91/55/08/569915508.db2.gz APIADKLERJOKAR-XMMPIXPASA-N 0 0 479.418 4.768 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 ZINC000223546357 569915517 /nfs/dbraw/zinc/91/55/17/569915517.db2.gz SPCWZRGFHIUIRI-DEOSSOPVSA-N 0 0 495.417 4.604 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(=O)N1CCC(C)CC1 ZINC000223547379 569915521 /nfs/dbraw/zinc/91/55/21/569915521.db2.gz HNKCLRSNGLPFDO-UHFFFAOYSA-N 0 0 498.670 4.791 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223549577 569915639 /nfs/dbraw/zinc/91/56/39/569915639.db2.gz FCVSPYBPOSXMTC-UHFFFAOYSA-N 0 0 452.576 4.592 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1 ZINC000223552336 569915734 /nfs/dbraw/zinc/91/57/34/569915734.db2.gz IXIIFYOSOZTSDG-UHFFFAOYSA-N 0 0 471.022 4.819 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223553854 569915772 /nfs/dbraw/zinc/91/57/72/569915772.db2.gz FXTMRPUANDHILP-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223555435 569915858 /nfs/dbraw/zinc/91/58/58/569915858.db2.gz WHAFVCPXTHXQKX-HHHXNRCGSA-N 0 0 474.601 4.789 40 0 JJABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000223557000 569915917 /nfs/dbraw/zinc/91/59/17/569915917.db2.gz ZOLFIGGYIROSQD-DEOSSOPVSA-N 0 0 456.608 4.536 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223558532 569915957 /nfs/dbraw/zinc/91/59/57/569915957.db2.gz VZZMBLKZBWADIS-UHFFFAOYSA-N 0 0 480.630 4.510 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000223560257 569916025 /nfs/dbraw/zinc/91/60/25/569916025.db2.gz CAZIRHFISZXRKZ-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000223560171 569916043 /nfs/dbraw/zinc/91/60/43/569916043.db2.gz AWMKBWXBWCYKFP-MUUNZHRXSA-N 0 0 468.553 4.917 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223560847 569916062 /nfs/dbraw/zinc/91/60/62/569916062.db2.gz SNMAAKACNWESDX-LJAQVGFWSA-N 0 0 479.580 4.719 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223561790 569916119 /nfs/dbraw/zinc/91/61/19/569916119.db2.gz FZGBRWZFWHMDBR-DNQXCXABSA-N 0 0 470.554 4.696 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223564537 569916246 /nfs/dbraw/zinc/91/62/46/569916246.db2.gz OXDKCAJXSOZBEE-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223565490 569916293 /nfs/dbraw/zinc/91/62/93/569916293.db2.gz IWUOEEUTKAVMFV-LJAQVGFWSA-N 0 0 488.628 4.941 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000223564880 569916314 /nfs/dbraw/zinc/91/63/14/569916314.db2.gz XARLANCLGAHRRU-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223566296 569916331 /nfs/dbraw/zinc/91/63/31/569916331.db2.gz FAOUXABGOKQCSR-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000223565784 569916332 /nfs/dbraw/zinc/91/63/32/569916332.db2.gz HUCVQNFXOYFSTG-LJQANCHMSA-N 0 0 456.995 4.764 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223566740 569916397 /nfs/dbraw/zinc/91/63/97/569916397.db2.gz DEEVPZOMEUSRHY-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3cccc4ccccc43)c2)cc1 ZINC000223569147 569916450 /nfs/dbraw/zinc/91/64/50/569916450.db2.gz JLATZTOHHFFYPU-UHFFFAOYSA-N 0 0 474.582 4.782 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000223573750 569916490 /nfs/dbraw/zinc/91/64/90/569916490.db2.gz XJUQNGRVZUHENH-LJAQVGFWSA-N 0 0 495.579 4.556 40 0 JJABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c(Cl)c1Cl ZINC000223576925 569916654 /nfs/dbraw/zinc/91/66/54/569916654.db2.gz VTZOPQQGUAZBSF-UHFFFAOYSA-N 0 0 456.351 4.654 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000223582625 569916821 /nfs/dbraw/zinc/91/68/21/569916821.db2.gz PQOYIEXSBBPGTR-UHFFFAOYSA-N 0 0 468.541 4.906 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1C ZINC000223584787 569916914 /nfs/dbraw/zinc/91/69/14/569916914.db2.gz LBSYUGZFWOYOLV-UHFFFAOYSA-N 0 0 488.609 4.847 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 ZINC000223585841 569916958 /nfs/dbraw/zinc/91/69/58/569916958.db2.gz WWXOBGJRWXKYHG-VWLOTQADSA-N 0 0 472.557 4.725 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223585983 569916989 /nfs/dbraw/zinc/91/69/89/569916989.db2.gz BACBCKCCXMMTHP-FQEVSTJZSA-N 0 0 476.639 4.540 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223587315 569917053 /nfs/dbraw/zinc/91/70/53/569917053.db2.gz KWUUOFREBHCGKT-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223594941 569917242 /nfs/dbraw/zinc/91/72/42/569917242.db2.gz GOGJGKNZLLWYCX-UHFFFAOYSA-N 0 0 492.572 4.678 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000223596411 569917278 /nfs/dbraw/zinc/91/72/78/569917278.db2.gz BSQXJFOCYTUNQQ-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223597660 569917314 /nfs/dbraw/zinc/91/73/14/569917314.db2.gz WOLICGKDBZIBDY-NRFANRHFSA-N 0 0 460.640 4.840 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1C ZINC000223597427 569917333 /nfs/dbraw/zinc/91/73/33/569917333.db2.gz AEYLLJJHQZWXPH-UHFFFAOYSA-N 0 0 488.609 4.847 40 0 JJABRN Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223605703 569917642 /nfs/dbraw/zinc/91/76/42/569917642.db2.gz IALOULNFJDJZAR-XZOQPEGZSA-N 0 0 455.027 4.806 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc4ccccc4c3)c2)CC1 ZINC000223608391 569917714 /nfs/dbraw/zinc/91/77/14/569917714.db2.gz QWATZBJELYWTAN-UHFFFAOYSA-N 0 0 487.021 4.723 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223607917 569917716 /nfs/dbraw/zinc/91/77/16/569917716.db2.gz CPQFPSLHVYAOEG-UHFFFAOYSA-N 0 0 472.994 4.937 40 0 JJABRN O=C(NCCOc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000223608017 569917770 /nfs/dbraw/zinc/91/77/70/569917770.db2.gz IFBJCUYRPYYFAQ-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223615025 569917966 /nfs/dbraw/zinc/91/79/66/569917966.db2.gz LKTVFXZGYLMFAV-XMMPIXPASA-N 0 0 470.610 4.585 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(=O)N1CCCCCC1 ZINC000223618701 569918089 /nfs/dbraw/zinc/91/80/89/569918089.db2.gz LFRYDICJXGUDTA-UHFFFAOYSA-N 0 0 498.670 4.935 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000223622907 569918204 /nfs/dbraw/zinc/91/82/04/569918204.db2.gz HPMMCJNJENQPRO-VWLOTQADSA-N 0 0 499.032 4.738 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000223626701 569918324 /nfs/dbraw/zinc/91/83/24/569918324.db2.gz HJFDIDFDHCVACW-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c(Br)c1 ZINC000223633114 569918447 /nfs/dbraw/zinc/91/84/47/569918447.db2.gz ADHWDZMSECPPEH-LEWJYISDSA-N 0 0 472.408 4.767 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223633514 569918532 /nfs/dbraw/zinc/91/85/32/569918532.db2.gz RYXXLGCVFOLRBM-QFIPXVFZSA-N 0 0 495.428 4.886 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223645362 569918770 /nfs/dbraw/zinc/91/87/70/569918770.db2.gz VSCHTYGGMMSASF-RTWAWAEBSA-N 0 0 475.401 4.715 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)S(C)(=O)=O)cc1C ZINC000223644305 569918785 /nfs/dbraw/zinc/91/87/85/569918785.db2.gz UVDKEDOPFWOTMV-UHFFFAOYSA-N 0 0 490.676 4.874 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223657902 569919254 /nfs/dbraw/zinc/91/92/54/569919254.db2.gz RDLZDYCTZANVAR-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223665291 569919397 /nfs/dbraw/zinc/91/93/97/569919397.db2.gz GSVPBEQDSLGCOK-QFIPXVFZSA-N 0 0 460.615 4.790 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223666037 569919422 /nfs/dbraw/zinc/91/94/22/569919422.db2.gz GVGASIFGEYOSMW-RPBOFIJWSA-N 0 0 456.571 4.561 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223669763 569919540 /nfs/dbraw/zinc/91/95/40/569919540.db2.gz GXMSCDJJDICAKX-FCHUYYIVSA-N 0 0 455.967 4.839 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223671341 569919554 /nfs/dbraw/zinc/91/95/54/569919554.db2.gz GOLNLZYIYWLEKV-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223671479 569919574 /nfs/dbraw/zinc/91/95/74/569919574.db2.gz HISDSODZHKPUHF-UHFFFAOYSA-N 0 0 494.657 4.991 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000223670725 569919594 /nfs/dbraw/zinc/91/95/94/569919594.db2.gz ZNOWKXDDSYHPJZ-VXKWHMMOSA-N 0 0 455.967 4.839 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223677277 569919713 /nfs/dbraw/zinc/91/97/13/569919713.db2.gz CSDOPMPBIQWQLB-QHCPKHFHSA-N 0 0 456.652 4.693 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223682368 569919846 /nfs/dbraw/zinc/91/98/46/569919846.db2.gz SVRDQELDAXDZDI-LEWJYISDSA-N 0 0 475.401 4.715 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223682414 569919852 /nfs/dbraw/zinc/91/98/52/569919852.db2.gz SVRDQELDAXDZDI-NHCUHLMSSA-N 0 0 475.401 4.715 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000223684878 569919872 /nfs/dbraw/zinc/91/98/72/569919872.db2.gz GIIJYKAXQJPKIL-FCHUYYIVSA-N 0 0 453.589 4.670 40 0 JJABRN CN(c1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C)S(=O)(=O)c1ccccc1 ZINC000223686663 569919923 /nfs/dbraw/zinc/91/99/23/569919923.db2.gz XBXZYYIYSIPVFI-UHFFFAOYSA-N 0 0 466.603 4.618 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000223689199 569920039 /nfs/dbraw/zinc/92/00/39/569920039.db2.gz ZCYHOTMSOSXJST-UHFFFAOYSA-N 0 0 452.576 4.594 40 0 JJABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223690709 569920089 /nfs/dbraw/zinc/92/00/89/569920089.db2.gz PVLSOJXLORITCP-CVVHJZTLSA-N 0 0 450.560 4.804 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3C)S(=O)(=O)c3ccccc3)s2)cc1 ZINC000223722921 569921153 /nfs/dbraw/zinc/92/11/53/569921153.db2.gz QGMITLOBAWVAPE-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000223729095 569921363 /nfs/dbraw/zinc/92/13/63/569921363.db2.gz ROFHVCXNDFHUID-UHFFFAOYSA-N 0 0 498.620 4.898 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223729786 569921397 /nfs/dbraw/zinc/92/13/97/569921397.db2.gz CGQKPLYLXCFZEZ-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CN(c1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1)S(=O)(=O)c1ccccc1 ZINC000223729777 569921411 /nfs/dbraw/zinc/92/14/11/569921411.db2.gz OAFFRCWBEZZIDN-UHFFFAOYSA-N 0 0 466.603 4.618 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000223731837 569921452 /nfs/dbraw/zinc/92/14/52/569921452.db2.gz KORGTODOSLZJBA-FGZHOGPDSA-N 0 0 499.434 4.561 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223731477 569921487 /nfs/dbraw/zinc/92/14/87/569921487.db2.gz SRXOYAIZBCGMMQ-VWLOTQADSA-N 0 0 480.992 4.504 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223730947 569921490 /nfs/dbraw/zinc/92/14/90/569921490.db2.gz GLQODVUROMJXDP-YADHBBJMSA-N 0 0 488.535 4.817 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2ccc(C)cc2)cc1 ZINC000223732262 569921500 /nfs/dbraw/zinc/92/15/00/569921500.db2.gz WGEACZPUTULWGC-UHFFFAOYSA-N 0 0 498.670 4.724 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(C)cc1 ZINC000223732088 569921506 /nfs/dbraw/zinc/92/15/06/569921506.db2.gz CBGICEHNNQXGPQ-AREMUKBSSA-N 0 0 476.642 4.872 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccccc1 ZINC000223731978 569921535 /nfs/dbraw/zinc/92/15/35/569921535.db2.gz KDQBCWHPHMXVSI-RUZDIDTESA-N 0 0 462.615 4.564 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223735122 569921566 /nfs/dbraw/zinc/92/15/66/569921566.db2.gz WLWKIPKWXWFRCI-VXKWHMMOSA-N 0 0 453.589 4.752 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223733816 569921569 /nfs/dbraw/zinc/92/15/69/569921569.db2.gz MUAZJKRWCGLOMB-JOCHJYFZSA-N 0 0 475.427 4.860 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000223734163 569921572 /nfs/dbraw/zinc/92/15/72/569921572.db2.gz WDFKVQYHWGYXLE-GOTSBHOMSA-N 0 0 469.010 4.760 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223736216 569921622 /nfs/dbraw/zinc/92/16/22/569921622.db2.gz PKJZMABHUMQQSK-FCHUYYIVSA-N 0 0 455.967 4.921 40 0 JJABRN CCCSc1nnc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)s1 ZINC000223739864 569921720 /nfs/dbraw/zinc/92/17/20/569921720.db2.gz GQBZJUSOCJYZDD-UHFFFAOYSA-N 0 0 483.040 4.528 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223744526 569921899 /nfs/dbraw/zinc/92/18/99/569921899.db2.gz WEBOIJWHCZAROL-INIZCTEOSA-N 0 0 493.829 4.957 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000223746284 569921901 /nfs/dbraw/zinc/92/19/01/569921901.db2.gz WIEKXDCIVRTQER-UHFFFAOYSA-N 0 0 457.555 4.750 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223745538 569921913 /nfs/dbraw/zinc/92/19/13/569921913.db2.gz 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccccc1 ZINC000223762710 569922487 /nfs/dbraw/zinc/92/24/87/569922487.db2.gz SISYXIMJUYIHBQ-MHZLTWQESA-N 0 0 474.601 4.630 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223768868 569922706 /nfs/dbraw/zinc/92/27/06/569922706.db2.gz OVPMULGJFSEUFP-SANMLTNESA-N 0 0 494.632 4.844 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O ZINC000223771776 569922768 /nfs/dbraw/zinc/92/27/68/569922768.db2.gz QNCCIDPKWWUCPI-UHFFFAOYSA-N 0 0 467.031 4.513 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2cccc(C)c2C)cc1 ZINC000223770395 569922781 /nfs/dbraw/zinc/92/27/81/569922781.db2.gz ACSNPDKJQRFLBB-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000223772249 569922804 /nfs/dbraw/zinc/92/28/04/569922804.db2.gz AYAHUQBIRZJSQH-UHFFFAOYSA-N 0 0 484.593 4.724 40 0 JJABRN Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000223773155 569922822 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ZINC000223945749 569928060 /nfs/dbraw/zinc/92/80/60/569928060.db2.gz QGDNLMOHRQSDHU-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)c1C ZINC000223945536 569928106 /nfs/dbraw/zinc/92/81/06/569928106.db2.gz YPETUCNODPEILD-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000223948747 569928159 /nfs/dbraw/zinc/92/81/59/569928159.db2.gz LYIIGYMBUWDGPC-UHFFFAOYSA-N 0 0 466.603 4.784 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)cc1C ZINC000223948989 569928175 /nfs/dbraw/zinc/92/81/75/569928175.db2.gz GIUSZRQYZOMWMA-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223951069 569928192 /nfs/dbraw/zinc/92/81/92/569928192.db2.gz LSUJARNJRHLYOA-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000223952328 569928244 /nfs/dbraw/zinc/92/82/44/569928244.db2.gz WSSIKLLTJGGCGH-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223954011 569928306 /nfs/dbraw/zinc/92/83/06/569928306.db2.gz KIYCPZQYFYNKKW-CQSZACIVSA-N 0 0 457.785 4.887 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)S(C)(=O)=O)c1 ZINC000223960119 569928524 /nfs/dbraw/zinc/92/85/24/569928524.db2.gz CNQUQHIIVHXVMH-UHFFFAOYSA-N 0 0 490.676 4.874 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc2ccccc21 ZINC000223965340 569928742 /nfs/dbraw/zinc/92/87/42/569928742.db2.gz IKHCSYALGZGDSJ-SFHVURJKSA-N 0 0 483.406 4.925 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000223968745 569928883 /nfs/dbraw/zinc/92/88/83/569928883.db2.gz GWQDRFSKFPMZOQ-ZEQRLZLVSA-N 0 0 457.559 4.660 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223969630 569928887 /nfs/dbraw/zinc/92/88/87/569928887.db2.gz PDBLZFGQUFALQT-SFHVURJKSA-N 0 0 459.428 4.888 40 0 JJABRN 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CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC)cc3Br)N(C)C2=S)cc1 ZINC000409036608 570106697 /nfs/dbraw/zinc/10/66/97/570106697.db2.gz RYJWACOFNVDFNV-WQRHYEAKSA-N 0 0 491.407 4.860 40 0 JJABRN CCCCNC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000256055505 570106959 /nfs/dbraw/zinc/10/69/59/570106959.db2.gz JEZSRUFFDBKOBB-UHFFFAOYSA-N 0 0 450.607 4.553 40 0 JJABRN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4ccc(NC(C)=O)nc4)CC3)CO[C@H]21 ZINC000257200349 570107874 /nfs/dbraw/zinc/10/78/74/570107874.db2.gz ACXVMULMVLQKTB-XUZZJYLKSA-N 0 0 493.604 4.610 40 0 JJABRN O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257201736 570108320 /nfs/dbraw/zinc/10/83/20/570108320.db2.gz AIVXFXREYAVVGV-MHZLTWQESA-N 0 0 459.565 4.621 40 0 JJABRN COC(=O)C(=Cc1cc(Br)cc(Br)c1OCc1ccccc1)C(=O)OC ZINC000409044704 570108448 /nfs/dbraw/zinc/10/84/48/570108448.db2.gz WUDOERZNGSZRRL-UHFFFAOYSA-N 0 0 484.140 4.520 40 0 JJABRN COC(=O)C(=Cc1cc(Br)cc(Br)c1OCc1ccc(C)cc1)C(=O)OC ZINC000409045453 570108530 /nfs/dbraw/zinc/10/85/30/570108530.db2.gz YNWGKOQMEJSGTP-UHFFFAOYSA-N 0 0 498.167 4.828 40 0 JJABRN CC(=O)NCCCCCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(C(F)(F)F)c1 ZINC000257204574 570109127 /nfs/dbraw/zinc/10/91/27/570109127.db2.gz AVGNKWPGMSLQLO-SFTDATJTSA-N 0 0 453.549 4.750 40 0 JJABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 ZINC000257205403 570109393 /nfs/dbraw/zinc/10/93/93/570109393.db2.gz AYWIHBUMRSYZJR-JOCHJYFZSA-N 0 0 471.601 4.721 40 0 JJABRN O=C(N1CCC2(CC1)CC(=O)NC[C@@H]2c1cccc(F)c1)C1(c2ccccc2F)CCCC1 ZINC000257205744 570109606 /nfs/dbraw/zinc/10/96/06/570109606.db2.gz BAKQVHLSWKSQCO-JOCHJYFZSA-N 0 0 452.545 4.689 40 0 JJABRN COc1ccc(CNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409051179 570109961 /nfs/dbraw/zinc/10/99/61/570109961.db2.gz BJXZQPGBKXQZBG-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccc(F)cc2)cc1 ZINC000409051621 570110088 /nfs/dbraw/zinc/11/00/88/570110088.db2.gz BCTZLHHSQLUOND-UHFFFAOYSA-N 0 0 494.632 4.806 40 0 JJABRN COc1cc2c(cc1NC(=O)CN1CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C1)oc1ccccc12 ZINC000257207970 570110276 /nfs/dbraw/zinc/11/02/76/570110276.db2.gz BKDAAOTVCULWHF-BDYUSTAISA-N 0 0 478.520 4.577 40 0 JJABRN Cc1ccc(NCC(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)cc1 ZINC000257207962 570110301 /nfs/dbraw/zinc/11/03/01/570110301.db2.gz BKBUCOGBOLSOAF-NDEPHWFRSA-N 0 0 481.612 4.636 40 0 JJABRN CC(C)(C)NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409056100 570111815 /nfs/dbraw/zinc/11/18/15/570111815.db2.gz GERWJNOKXLFUKW-UHFFFAOYSA-N 0 0 463.814 4.752 40 0 JJABRN Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)c3cccc(Nc4ncccn4)c3)n2)c1 ZINC000257209479 570110828 /nfs/dbraw/zinc/11/08/28/570110828.db2.gz BQNPEDQXSGFXJB-VWLOTQADSA-N 0 0 450.546 4.887 40 0 JJABRN O=C(C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1 ZINC000257209574 570110852 /nfs/dbraw/zinc/11/08/52/570110852.db2.gz BQXJASZBPVUAQW-VWLOTQADSA-N 0 0 491.415 4.544 40 0 JJABRN COc1cc(C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)ccc1OCc1ccccn1 ZINC000257210684 570111339 /nfs/dbraw/zinc/11/13/39/570111339.db2.gz BVRVOWHGMANJDG-FQEVSTJZSA-N 0 0 453.542 4.922 40 0 JJABRN O=C(C[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCCCC1 ZINC000257214057 570112354 /nfs/dbraw/zinc/11/23/54/570112354.db2.gz CKIGTUXGABXHIY-MBSDFSHPSA-N 0 0 476.951 4.931 40 0 JJABRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)C(C)C)c1 ZINC000409057993 570112683 /nfs/dbraw/zinc/11/26/83/570112683.db2.gz QXZZIMOVIISSFF-JOCHJYFZSA-N 0 0 465.623 4.598 40 0 JJABRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccco3)c(OC)c2)C(=O)O1 ZINC000409057914 570112692 /nfs/dbraw/zinc/11/26/92/570112692.db2.gz LTWPMZKKDYVERK-YBEGLDIGSA-N 0 0 453.834 4.514 40 0 JJABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCC[C@@H](Cc2cncc3ccccc32)CC1 ZINC000257215706 570112771 /nfs/dbraw/zinc/11/27/71/570112771.db2.gz CRHDCZDINROTIM-JOCHJYFZSA-N 0 0 471.601 4.721 40 0 JJABRN Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3F)C2)c1 ZINC000257215976 570112873 /nfs/dbraw/zinc/11/28/73/570112873.db2.gz CSMUAAFHVLZOEG-JOCHJYFZSA-N 0 0 471.536 4.981 40 0 JJABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257217649 570113316 /nfs/dbraw/zinc/11/33/16/570113316.db2.gz CZXTXOYPKFYCIG-XMMPIXPASA-N 0 0 471.576 4.954 40 0 JJABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000257217177 570113373 /nfs/dbraw/zinc/11/33/73/570113373.db2.gz CXVVXEKFJKWEEF-HOFKKMOUSA-N 0 0 490.575 4.793 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccccc2F)cc1 ZINC000409059968 570113664 /nfs/dbraw/zinc/11/36/64/570113664.db2.gz SWTNFTASYUUTFP-UHFFFAOYSA-N 0 0 494.632 4.806 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409060294 570113798 /nfs/dbraw/zinc/11/37/98/570113798.db2.gz PHFMMZMVMKTMBS-NRFANRHFSA-N 0 0 469.586 4.603 40 0 JJABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)COc4ccc(F)c(Cl)c4)C3)o2)cc1 ZINC000257219310 570113935 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472.994 4.795 40 0 JJABRN C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)c3cccc(Oc4ncccn4)c3)[C@H]1CCCCC(=O)N2 ZINC000257224747 570115578 /nfs/dbraw/zinc/11/55/78/570115578.db2.gz FDELYXDLAFQTCB-WCYRKSIYSA-N 0 0 474.536 4.813 40 0 JJABRN COCCNc1nc(C2CCN(CC(=O)Nc3cccc(F)c3C)CC2)cc2ccccc21 ZINC000257225579 570115661 /nfs/dbraw/zinc/11/56/61/570115661.db2.gz FGVPYHHIMHFDEN-UHFFFAOYSA-N 0 0 450.558 4.559 40 0 JJABRN Cc1ccccc1CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409063956 570115679 /nfs/dbraw/zinc/11/56/79/570115679.db2.gz ODNHDRGWZCIPCX-UHFFFAOYSA-N 0 0 477.413 4.809 40 0 JJABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000409064524 570115778 /nfs/dbraw/zinc/11/57/78/570115778.db2.gz PSUDWLJIZZCFHY-UHFFFAOYSA-N 0 0 453.586 4.555 40 0 JJABRN Cc1ccc(C(=O)N2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cc1NCc1ccncc1 ZINC000257225975 570115894 /nfs/dbraw/zinc/11/58/94/570115894.db2.gz FIQOPEUSRWDAGR-RUZDIDTESA-N 0 0 457.574 4.845 40 0 JJABRN 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COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc(-c5ccc(OC)cc5)no4)C3)o2)cc1 ZINC000257229756 570116967 /nfs/dbraw/zinc/11/69/67/570116967.db2.gz FZJVWYMZQLGQGZ-FQEVSTJZSA-N 0 0 473.529 4.957 40 0 JJABRN O=C(C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(F)c2)C1)N1CCCCC1 ZINC000257230636 570117247 /nfs/dbraw/zinc/11/72/47/570117247.db2.gz GDEKPINEGWYFJS-SANMLTNESA-N 0 0 456.533 4.669 40 0 JJABRN O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccc(F)c2)C1)N1CCCCC1 ZINC000257230635 570117258 /nfs/dbraw/zinc/11/72/58/570117258.db2.gz GDEKPINEGWYFJS-AREMUKBSSA-N 0 0 456.533 4.669 40 0 JJABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cccc(N4CCOCC4)c3C)CC2)n1 ZINC000257231088 570117342 /nfs/dbraw/zinc/11/73/42/570117342.db2.gz GFELSLJBQGKSJV-UHFFFAOYSA-N 0 0 472.589 4.742 40 0 JJABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 ZINC000257231355 570117357 /nfs/dbraw/zinc/11/73/57/570117357.db2.gz GGHVAOMLWABDDO-JOCHJYFZSA-N 0 0 471.601 4.721 40 0 JJABRN 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ZINC000257241772 570120663 /nfs/dbraw/zinc/12/06/63/570120663.db2.gz HZNPUKNAEHOYQF-UHFFFAOYSA-N 0 0 456.533 4.669 40 0 JJABRN Cc1cccc(CN(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409078376 570120733 /nfs/dbraw/zinc/12/07/33/570120733.db2.gz BXPVUUVLSNOTSW-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000257244818 570121410 /nfs/dbraw/zinc/12/14/10/570121410.db2.gz IMYIXKLUMFKZDK-NRFANRHFSA-N 0 0 454.876 4.536 40 0 JJABRN O=C(C[C@H]1CN(C(=O)c2c(F)cccc2F)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCCCC1 ZINC000257245547 570121756 /nfs/dbraw/zinc/12/17/56/570121756.db2.gz IQBHYCCVBUXNCE-JTSKRJEESA-N 0 0 476.951 4.931 40 0 JJABRN Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)cn1 ZINC000257247371 570122375 /nfs/dbraw/zinc/12/23/75/570122375.db2.gz IYSPSCTVGLZETR-GJZUVCINSA-N 0 0 463.509 4.559 40 0 JJABRN CCCn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccncc1 ZINC000409084160 570122584 /nfs/dbraw/zinc/12/25/84/570122584.db2.gz BSCYLQHNWPZGLB-UHFFFAOYSA-N 0 0 466.792 4.897 40 0 JJABRN CC(C)(C)c1ccc(C(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCOCC3)CC2)cc1 ZINC000257248770 570122736 /nfs/dbraw/zinc/12/27/36/570122736.db2.gz JFCXOSZZHCJFQL-UHFFFAOYSA-N 0 0 478.633 4.534 40 0 JJABRN COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4ccccc4Cn4ccnc4)C3)n2)c1 ZINC000257249274 570122881 /nfs/dbraw/zinc/12/28/81/570122881.db2.gz JHNQOHZZPXZRMR-NRFANRHFSA-N 0 0 469.545 4.542 40 0 JJABRN Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4CN4CCOCC4)C3)n2)c1 ZINC000257249082 570122894 /nfs/dbraw/zinc/12/28/94/570122894.db2.gz JGTGIOBYBPBVEH-VWLOTQADSA-N 0 0 455.602 4.909 40 0 JJABRN COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)cc1 ZINC000257250609 570123371 /nfs/dbraw/zinc/12/33/71/570123371.db2.gz JNHFXRFPWOJODB-LJAQVGFWSA-N 0 0 487.575 4.839 40 0 JJABRN O=C(NC[C@]1(c2ccccc2)CC[C@@H]2[C@@H](O)C[C@@H](c3ccccc3)O[C@H]2CC1)c1ccccn1 ZINC000257254803 570124684 /nfs/dbraw/zinc/12/46/84/570124684.db2.gz KETJIFJOFDPJJL-BTLRSZHPSA-N 0 0 456.586 4.831 40 0 JJABRN NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257256077 570124949 /nfs/dbraw/zinc/12/49/49/570124949.db2.gz KJZYQSMCYPODDF-VWLOTQADSA-N 0 0 472.988 4.854 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)s3)C2=O)cc1 ZINC000409094135 570126025 /nfs/dbraw/zinc/12/60/25/570126025.db2.gz CEVQCEANUYBSOD-NTEUORMPSA-N 0 0 467.366 4.584 40 0 JJABRN Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[N@@H+](Cc4ccccc4OCC(=O)[O-])CC[C@H]3O[C@@H]21 ZINC000257259774 570126328 /nfs/dbraw/zinc/12/63/28/570126328.db2.gz KZXFZHUFLJLPMX-RLCNXLTRSA-N 0 0 451.563 4.598 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC ZINC000409095564 570126511 /nfs/dbraw/zinc/12/65/11/570126511.db2.gz HVFSHTBJAAHHGL-CXUHLZMHSA-N 0 0 465.731 4.997 40 0 JJABRN Cc1cc(Nc2cc(CC3CCN(C(=O)Cc4ccc(F)cc4Cl)CC3)nc(C3CC3)n2)n[nH]1 ZINC000257261846 570126898 /nfs/dbraw/zinc/12/68/98/570126898.db2.gz LIZSNIRZULQPMT-UHFFFAOYSA-N 0 0 482.991 4.945 40 0 JJABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Br)cc2C)cc1 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0 467.879 5.263 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329026095 570182164 /nfs/dbraw/zinc/18/21/64/570182164.db2.gz PJUNGNHTBFZKMU-GOSISDBHSA-N 0 0 451.880 5.383 40 0 JJABRN OCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329029148 570182298 /nfs/dbraw/zinc/18/22/98/570182298.db2.gz PXPGWIKRJIQOST-UHFFFAOYSA-N 0 0 458.362 5.209 40 0 JJABRN Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000329033724 570182441 /nfs/dbraw/zinc/18/24/41/570182441.db2.gz QVFZMELSXYFTJG-OAQYLSRUSA-N 0 0 460.500 5.392 40 0 JJABRN Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329033723 570182500 /nfs/dbraw/zinc/18/25/00/570182500.db2.gz QVFZMELSXYFTJG-NRFANRHFSA-N 0 0 460.500 5.392 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329035410 570182642 /nfs/dbraw/zinc/18/26/42/570182642.db2.gz REGGXVVGEWLNFK-LJQANCHMSA-N 0 0 482.890 5.574 40 0 JJABRN CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329043677 570182855 /nfs/dbraw/zinc/18/28/55/570182855.db2.gz STRZKSXDHFKGQE-UHFFFAOYSA-N 0 0 458.362 4.960 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329046528 570182913 /nfs/dbraw/zinc/18/29/13/570182913.db2.gz UBSLGZHDDDDIKZ-FQEVSTJZSA-N 0 0 482.453 5.361 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409243862 570183195 /nfs/dbraw/zinc/18/31/95/570183195.db2.gz VLIBMSPYRBXZEJ-WOJGMQOQSA-N 0 0 477.330 4.869 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000409244540 570183484 /nfs/dbraw/zinc/18/34/84/570183484.db2.gz FDZRNRHRDIPIPS-UHFFFAOYSA-N 0 0 476.520 4.798 40 0 JJABRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000409245147 570183831 /nfs/dbraw/zinc/18/38/31/570183831.db2.gz OBHIIFYJQQWPQG-MFKUBSTISA-N 0 0 478.552 4.990 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000409246775 570184548 /nfs/dbraw/zinc/18/45/48/570184548.db2.gz BBVBWHYUAWRGOB-UHFFFAOYSA-N 0 0 477.413 4.721 40 0 JJABRN Cc1ccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409246800 570184607 /nfs/dbraw/zinc/18/46/07/570184607.db2.gz DRGCVYYDPYCLFR-BUVRLJJBSA-N 0 0 464.525 4.681 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000409251660 570185878 /nfs/dbraw/zinc/18/58/78/570185878.db2.gz AWBJPLAIFUAXJX-UHFFFAOYSA-N 0 0 465.786 4.599 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000408526306 570185964 /nfs/dbraw/zinc/18/59/64/570185964.db2.gz APKKDYCOQUCJGI-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000408528259 570186679 /nfs/dbraw/zinc/18/66/79/570186679.db2.gz DFMZXUVEHBAJHD-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1cccc(Br)c1 ZINC000409261113 570187492 /nfs/dbraw/zinc/18/74/92/570187492.db2.gz BHWUVZSNKMQILW-UHFFFAOYSA-N 0 0 451.276 4.993 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1 ZINC000409261409 570187656 /nfs/dbraw/zinc/18/76/56/570187656.db2.gz BTQHBWQRGOPVPL-UHFFFAOYSA-N 0 0 499.338 4.964 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1OC ZINC000409265317 570188324 /nfs/dbraw/zinc/18/83/24/570188324.db2.gz SELHMVQLHUIBOK-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000409266084 570188450 /nfs/dbraw/zinc/18/84/50/570188450.db2.gz JNFMTILEOGVLHE-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000409266585 570188575 /nfs/dbraw/zinc/18/85/75/570188575.db2.gz QAIXIBLJKHZJJU-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccccc1C(F)(F)F ZINC000408533059 570188810 /nfs/dbraw/zinc/18/88/10/570188810.db2.gz PMCUJGSVKBHNPO-UHFFFAOYSA-N 0 0 490.503 4.864 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)c(C)c1 ZINC000409270411 570189126 /nfs/dbraw/zinc/18/91/26/570189126.db2.gz FPSUTVLNLRXOGO-UHFFFAOYSA-N 0 0 472.994 4.761 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1)S(=O)(=O)c1ccccc1 ZINC000409269981 570189161 /nfs/dbraw/zinc/18/91/61/570189161.db2.gz NAADKSGRUVQHDJ-UHFFFAOYSA-N 0 0 463.328 4.666 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000409270953 570189288 /nfs/dbraw/zinc/18/92/88/570189288.db2.gz SFDGWQWTSIONMC-UHFFFAOYSA-N 0 0 465.786 4.599 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccccc1F ZINC000409275229 570189769 /nfs/dbraw/zinc/18/97/69/570189769.db2.gz STCMMISVXCRCCY-OEAKJJBVSA-N 0 0 498.576 4.708 40 0 JJABRN O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1 ZINC000408543991 570192268 /nfs/dbraw/zinc/19/22/68/570192268.db2.gz GMPJVQAZUNTVFL-UHFFFAOYSA-N 0 0 462.527 4.584 40 0 JJABRN COC(=O)c1cccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000408544745 570192557 /nfs/dbraw/zinc/19/25/57/570192557.db2.gz XCNBHMJVMZSIMN-OYKKKHCWSA-N 0 0 483.499 4.708 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408545615 570192957 /nfs/dbraw/zinc/19/29/57/570192957.db2.gz LOUSUWFJXFVUPA-WGDIFIGCSA-N 0 0 477.586 4.834 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2C)c1 ZINC000408545747 570193056 /nfs/dbraw/zinc/19/30/56/570193056.db2.gz NTYADDBCCULUNL-UHFFFAOYSA-N 0 0 479.602 4.803 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000408554792 570196470 /nfs/dbraw/zinc/19/64/70/570196470.db2.gz UMNZCELHNLYCLC-MRVPVSSYSA-N 0 0 472.177 4.614 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000408550466 570195016 /nfs/dbraw/zinc/19/50/16/570195016.db2.gz CNLLIESHEZNDEP-UHFFFAOYSA-N 0 0 466.603 4.657 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)Cc2ccccc2)cc1C ZINC000408551836 570195387 /nfs/dbraw/zinc/19/53/87/570195387.db2.gz MSUOGVSECJWZLQ-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000408553833 570196003 /nfs/dbraw/zinc/19/60/03/570196003.db2.gz BJYMEZUXWWCMEQ-UHFFFAOYSA-N 0 0 451.386 4.575 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)NC1CCCCC1 ZINC000408554178 570196121 /nfs/dbraw/zinc/19/61/21/570196121.db2.gz ZWFUMMCEENMXKI-UHFFFAOYSA-N 0 0 451.386 4.621 40 0 JJABRN COc1ccc(C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408554455 570196238 /nfs/dbraw/zinc/19/62/38/570196238.db2.gz CVFSUXGNFPZEFU-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(I)c1OC ZINC000408554744 570196480 /nfs/dbraw/zinc/19/64/80/570196480.db2.gz FGPYSXMBSVMXMD-QGZVFWFLSA-N 0 0 475.735 4.740 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555102 570196750 /nfs/dbraw/zinc/19/67/50/570196750.db2.gz DLMSYYDGZJRRAI-UHFFFAOYSA-N 0 0 458.967 4.812 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000408555382 570196851 /nfs/dbraw/zinc/19/68/51/570196851.db2.gz WXVMOGXNYMHLBP-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN COc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556350 570197398 /nfs/dbraw/zinc/19/73/98/570197398.db2.gz HWCVWEBAXJNMDA-UHFFFAOYSA-N 0 0 465.358 4.733 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1C ZINC000408557099 570197912 /nfs/dbraw/zinc/19/79/12/570197912.db2.gz KZMUQTRFIWBYBF-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1Cl ZINC000408559393 570199632 /nfs/dbraw/zinc/19/96/32/570199632.db2.gz WUHNHSRSFLVMGN-SFHVURJKSA-N 0 0 458.967 4.541 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000408559344 570199704 /nfs/dbraw/zinc/19/97/04/570199704.db2.gz LRGOWBMQQGOOQH-UHFFFAOYSA-N 0 0 490.931 4.797 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000408559569 570199840 /nfs/dbraw/zinc/19/98/40/570199840.db2.gz MMZYBPGPVRACJV-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1c(F)cccc1F ZINC000408559591 570199847 /nfs/dbraw/zinc/19/98/47/570199847.db2.gz MSNMPGUOKUMDOP-UHFFFAOYSA-N 0 0 486.418 4.802 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl ZINC000408560028 570200102 /nfs/dbraw/zinc/20/01/02/570200102.db2.gz BOTLRDZHQPRKTA-UHFFFAOYSA-N 0 0 462.930 4.860 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408559979 570200158 /nfs/dbraw/zinc/20/01/58/570200158.db2.gz XMKLFZCULJBAJI-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409315956 570200252 /nfs/dbraw/zinc/20/02/52/570200252.db2.gz PCHULHRVKYLAJZ-HNNXBMFYSA-N 0 0 487.847 4.598 40 0 JJABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 ZINC000408560530 570200477 /nfs/dbraw/zinc/20/04/77/570200477.db2.gz DCYZHWJYPFGIEU-UHFFFAOYSA-N 0 0 452.816 4.899 40 0 JJABRN CCCCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409317914 570200531 /nfs/dbraw/zinc/20/05/31/570200531.db2.gz SATDDJPBYDJSEL-UHFFFAOYSA-N 0 0 461.386 4.630 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408560694 570200535 /nfs/dbraw/zinc/20/05/35/570200535.db2.gz PKJPJJGYKPKWKZ-UHFFFAOYSA-N 0 0 493.354 4.958 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000408560893 570200708 /nfs/dbraw/zinc/20/07/08/570200708.db2.gz QOFBLMOWUDEGLO-UHFFFAOYSA-N 0 0 458.967 4.541 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 ZINC000408561529 570201151 /nfs/dbraw/zinc/20/11/51/570201151.db2.gz JFUCHFQYHKANMO-SFHVURJKSA-N 0 0 465.015 4.731 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408561674 570201248 /nfs/dbraw/zinc/20/12/48/570201248.db2.gz VABASGZMEXKNGW-UHFFFAOYSA-N 0 0 488.993 4.521 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409322249 570201341 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/nfs/dbraw/zinc/46/73/81/195467381.db2.gz USIKFPIDQBXXFX-AREMUKBSSA-N 0 0 495.019 4.892 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224847582 195467405 /nfs/dbraw/zinc/46/74/05/195467405.db2.gz USIKFPIDQBXXFX-SANMLTNESA-N 0 0 495.019 4.892 40 0 JJABRN Cc1cccc(C(C)C)c1N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O ZINC000224859061 195468949 /nfs/dbraw/zinc/46/89/49/195468949.db2.gz CYGCXDKOKUTREJ-UHFFFAOYSA-N 0 0 480.630 4.893 40 0 JJABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br ZINC000409230545 195504473 /nfs/dbraw/zinc/50/44/73/195504473.db2.gz ZFAQFUKNTYAAFV-WOJGMQOQSA-N 0 0 491.363 4.531 40 0 JJABRN Cc1c2ccccc2oc1-c1nnc2sc(CCCCCN3C(=O)c4ccccc4C3=O)nn21 ZINC000096194430 129984648 /nfs/dbraw/zinc/98/46/48/129984648.db2.gz ONYHFNPMERVPAP-UHFFFAOYSA-N 0 0 471.542 4.916 40 0 JJABRN Cn1c2nc(Sc3ccc(Cl)cc3)n(CCSc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000096306460 130056551 /nfs/dbraw/zinc/05/65/51/130056551.db2.gz CYZOUAKVPVKICQ-UHFFFAOYSA-N 0 0 479.414 4.674 40 0 JJABRN CC(C)(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccccc5)n4)CO[C@H]23)cc1 ZINC000005434049 519035344 /nfs/dbraw/zinc/03/53/44/519035344.db2.gz SGFDXISAAICSIR-OLKYXYMISA-N 0 0 474.561 4.637 40 0 biogenic,in-vitro JJABRN CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496428 519184632 /nfs/dbraw/zinc/18/46/32/519184632.db2.gz JOVHAWGRLORHBV-HXUWFJFHSA-N 0 0 468.030 4.603 40 0 JJABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000044904320 519244463 /nfs/dbraw/zinc/24/44/63/519244463.db2.gz BSYYJQOMCOILID-JWQCQUIFSA-N 0 0 456.652 4.565 40 0 JJABRN CC(C)C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000044947351 519389796 /nfs/dbraw/zinc/38/97/96/519389796.db2.gz FHQNATIHNGOQHL-OZXSUGGESA-N 0 0 478.614 4.688 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000012471646 519659441 /nfs/dbraw/zinc/65/94/41/519659441.db2.gz DSLWFRZDCXVYLY-LOSJGSFVSA-N 0 0 494.613 4.526 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(N2CCOCC2)c1 ZINC000022636675 519725820 /nfs/dbraw/zinc/72/58/20/519725820.db2.gz DNIILXDPTPYUPR-UHFFFAOYSA-N 0 0 484.350 4.756 40 0 JJABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4OC(=O)c4ccccc4)[C@@H]3[C@H]3C(=O)O[C@]32C1 ZINC000005104345 519758309 /nfs/dbraw/zinc/75/83/09/519758309.db2.gz QFKDSOPQUQFUHM-ONVRWYLWSA-N 0 0 466.574 4.702 40 0 JJABRN CC(C)c1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000034894923 519835645 /nfs/dbraw/zinc/83/56/45/519835645.db2.gz WMXLXFQGTWIVQL-WSTZPKSXSA-N 0 0 458.451 4.917 40 0 JJABRN CC(C)c1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(-c5cccc(F)c5)nnn4c3c2)cc1 ZINC000021867680 519836204 /nfs/dbraw/zinc/83/62/04/519836204.db2.gz VGOSBGOVPBNXCM-UHFFFAOYSA-N 0 0 455.493 4.843 40 0 JJABRN CC(C)c1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428307 519836697 /nfs/dbraw/zinc/83/66/97/519836697.db2.gz SXPNPQRNRXYFKU-UHFFFAOYSA-N 0 0 491.613 4.771 40 0 JJABRN CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2ccco2)c2ccc(F)cc2)cc1 ZINC000012488163 519838912 /nfs/dbraw/zinc/83/89/12/519838912.db2.gz WNKKPQFEYSMNMD-VWLOTQADSA-N 0 0 493.579 4.961 40 0 JJABRN CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020494791 519844511 /nfs/dbraw/zinc/84/45/11/519844511.db2.gz RZXODRSSSTYZDS-UHFFFAOYSA-N 0 0 479.440 4.753 40 0 JJABRN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 ZINC000016637198 519878405 /nfs/dbraw/zinc/87/84/05/519878405.db2.gz PNTJQWUFQMOYOK-UHFFFAOYSA-N 0 0 473.595 4.748 40 0 JJABRN CC(C)c1noc(-c2cc(=O)n(CC(=O)NCc3cccc(C(F)(F)F)c3)c3ccccc23)n1 ZINC000067317815 519898740 /nfs/dbraw/zinc/89/87/40/519898740.db2.gz CJKFVWFSVDJYGE-UHFFFAOYSA-N 0 0 470.451 4.510 40 0 JJABRN CCOP(=O)(OCC)[C@@H](Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc2c(c1)OCO2 ZINC000012411252 520243328 /nfs/dbraw/zinc/24/33/28/520243328.db2.gz LSOOBTUSYQSWMF-JOCHJYFZSA-N 0 0 473.466 4.590 40 0 JJABRN CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985274 520354407 /nfs/dbraw/zinc/35/44/07/520354407.db2.gz LJEWRNJYIBHFTK-UHFFFAOYSA-N 0 0 456.178 4.950 40 0 JJABRN CCCCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000006149799 520691370 /nfs/dbraw/zinc/69/13/70/520691370.db2.gz SCEQYRPEDJDMEB-UHFFFAOYSA-N 0 0 451.592 4.550 40 0 JJABRN CCOC(=O)COc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161882 520800384 /nfs/dbraw/zinc/80/03/84/520800384.db2.gz HXKNXCMUAJZTKU-BHSBJAHRSA-N 0 0 491.407 4.553 40 0 JJABRN CC1=C(NC(=O)c2cc(-c3ccc(Br)cc3)on2)[C@@H](C)NN1Cc1ccccc1C ZINC000020418484 520840108 /nfs/dbraw/zinc/84/01/08/520840108.db2.gz LVTWXFXDEUGPGP-OAHLLOKOSA-N 0 0 467.367 4.783 40 0 JJABRN CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Br)cc4)cc3)C(=O)[C@@H]12 ZINC000016607252 520880821 /nfs/dbraw/zinc/88/08/21/520880821.db2.gz ZPDJWMWIOUYSRW-QYRPDUKASA-N 0 0 466.331 4.508 40 0 JJABRN CCOC(=O)N[C@@H](Cc1cc(OC)c(OC)cc1Br)c1ccc(OC)c(OC)c1OC ZINC000008652741 520990891 /nfs/dbraw/zinc/99/08/91/520990891.db2.gz GCLGAUCDFLNOSW-INIZCTEOSA-N 0 0 498.370 4.522 40 0 JJABRN CCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OCC ZINC000020111435 520995670 /nfs/dbraw/zinc/99/56/70/520995670.db2.gz RKROKDIRSCRQKD-UHFFFAOYSA-N 0 0 488.993 4.868 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000013649379 520998265 /nfs/dbraw/zinc/99/82/65/520998265.db2.gz HQRZPOKGTNZMAV-HHHXNRCGSA-N 0 0 460.599 4.832 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428823 521024012 /nfs/dbraw/zinc/02/40/12/521024012.db2.gz BRRSXXHBFCKFER-VWLOTQADSA-N 0 0 466.603 4.857 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000019820473 521093580 /nfs/dbraw/zinc/09/35/80/521093580.db2.gz YPAGTRHPRDHUMC-BJKOFHAPSA-N 0 0 457.505 4.533 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1C ZINC000022536490 521195508 /nfs/dbraw/zinc/19/55/08/521195508.db2.gz UZYBQEQODDQEAT-VXKWHMMOSA-N 0 0 472.651 4.597 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499523 521195695 /nfs/dbraw/zinc/19/56/95/521195695.db2.gz POOVLRZMXWFGTF-RUZDIDTESA-N 0 0 486.576 4.909 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500920 521197553 /nfs/dbraw/zinc/19/75/53/521197553.db2.gz DNILWHNQLAVDSS-XMMPIXPASA-N 0 0 472.549 4.601 40 0 JJABRN CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccnc2)cc1 ZINC000013151071 521215370 /nfs/dbraw/zinc/21/53/70/521215370.db2.gz KZQRESOBFPZKOY-VWLOTQADSA-N 0 0 458.562 4.712 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430280 521217434 /nfs/dbraw/zinc/21/74/34/521217434.db2.gz IHDORUPOXBIHOX-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020460205 521217492 /nfs/dbraw/zinc/21/74/92/521217492.db2.gz HLYUAWYPRTYWJY-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020046478 521220414 /nfs/dbraw/zinc/22/04/14/521220414.db2.gz PGXDLLGJXYCAPB-WOJBJXKFSA-N 0 0 482.602 4.910 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 ZINC000044899803 521222460 /nfs/dbraw/zinc/22/24/60/521222460.db2.gz BPSNTCXEKOHWOO-HXUWFJFHSA-N 0 0 466.603 4.851 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428420 521251746 /nfs/dbraw/zinc/25/17/46/521251746.db2.gz VJGGWCGKWALAJV-SFHVURJKSA-N 0 0 472.994 4.811 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000044880364 521256256 /nfs/dbraw/zinc/25/62/56/521256256.db2.gz AZSQSWXEWXGEOB-IBGZPJMESA-N 0 0 452.576 4.543 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000044845005 521256454 /nfs/dbraw/zinc/25/64/54/521256454.db2.gz DNNGVUJAVMHGSH-WMZOPIPTSA-N 0 0 499.460 4.811 40 0 JJABRN CCC(=O)n1c(Cc2ccc(OC)cc2)nc2c1SC(c1ccc(OC)cc1)=NN2C(=O)CC ZINC000016807069 521262916 /nfs/dbraw/zinc/26/29/16/521262916.db2.gz VBNGBGCAKSCLPG-UHFFFAOYSA-N 0 0 478.574 4.752 40 0 JJABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 ZINC000022709686 521265342 /nfs/dbraw/zinc/26/53/42/521265342.db2.gz MLXMGDGUNRLTSQ-UHFFFAOYSA-N 0 0 473.602 4.964 40 0 JJABRN CCCCc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000014135332 521277059 /nfs/dbraw/zinc/27/70/59/521277059.db2.gz SPRVAFIJFALAIP-UHFFFAOYSA-N 0 0 450.604 4.901 40 0 JJABRN CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000044135978 521309266 /nfs/dbraw/zinc/30/92/66/521309266.db2.gz HIUYRCVDCVFSBP-UHFFFAOYSA-N 0 0 464.957 4.838 40 0 in-vitro JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC000012489139 521334912 /nfs/dbraw/zinc/33/49/12/521334912.db2.gz YLXWDTAYVUQKQY-XMMPIXPASA-N 0 0 477.630 4.866 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cc(C)ccc1C ZINC000012483996 521345815 /nfs/dbraw/zinc/34/58/15/521345815.db2.gz ASYNXUSYQOUCIM-QHCPKHFHSA-N 0 0 481.618 4.767 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cccc(Cl)c1 ZINC000012484085 521346439 /nfs/dbraw/zinc/34/64/39/521346439.db2.gz UAXVRQDIPQFJEJ-NRFANRHFSA-N 0 0 488.009 4.804 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000020488562 521350786 /nfs/dbraw/zinc/35/07/86/521350786.db2.gz QZQGCKUGPAGGKP-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000020459104 521357503 /nfs/dbraw/zinc/35/75/03/521357503.db2.gz RWSVHMLGYYKLTH-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCCc2ccccc21 ZINC000006077667 521372277 /nfs/dbraw/zinc/37/22/77/521372277.db2.gz WZHKHUKTFLKCKG-DEOSSOPVSA-N 0 0 456.594 4.819 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCCc2ccccc21 ZINC000006077651 521373145 /nfs/dbraw/zinc/37/31/45/521373145.db2.gz NGCCQXMSDOSFHJ-DEOSSOPVSA-N 0 0 456.594 4.819 40 0 JJABRN CCOc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000012490295 521379502 /nfs/dbraw/zinc/37/95/02/521379502.db2.gz BMYXFEPOVJYBBO-DEOSSOPVSA-N 0 0 493.629 4.566 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000013669982 521386462 /nfs/dbraw/zinc/38/64/62/521386462.db2.gz YTAKYIJMQDCAGS-UHFFFAOYSA-N 0 0 498.601 4.553 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020485001 521470852 /nfs/dbraw/zinc/47/08/52/521470852.db2.gz IUSJVYUUROTDKU-UHFFFAOYSA-N 0 0 472.994 4.902 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013668403 521471553 /nfs/dbraw/zinc/47/15/53/521471553.db2.gz JKRNVSXWEYFHOZ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000016687826 521478726 /nfs/dbraw/zinc/47/87/26/521478726.db2.gz YAFOFFLIXPMJGG-UHFFFAOYSA-N 0 0 498.402 4.742 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccc(F)cc4)N3C2=O)cc1 ZINC000012410959 521483978 /nfs/dbraw/zinc/48/39/78/521483978.db2.gz HZFHHFICLVJFLE-UKILVPOCSA-N 0 0 483.499 4.967 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000020457350 521491537 /nfs/dbraw/zinc/49/15/37/521491537.db2.gz SKTGPVOAUOFTBD-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccccc2Br)cc1)S(=O)(=O)c1ccccc1 ZINC000019937908 521493424 /nfs/dbraw/zinc/49/34/24/521493424.db2.gz WEKFPBMEVWKMEV-UHFFFAOYSA-N 0 0 489.391 4.682 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000022510487 521514150 /nfs/dbraw/zinc/51/41/50/521514150.db2.gz FCACYZGXVQFAKX-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC000020489123 521514182 /nfs/dbraw/zinc/51/41/82/521514182.db2.gz GOUBEKAKKKHNJB-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN 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CC[C@H](C)N(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1Cl ZINC000012491816 523906975 /nfs/dbraw/zinc/90/69/75/523906975.db2.gz WZQVCOGTAJNRDD-OYHNWAKOSA-N 0 0 477.005 4.638 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000012490244 523957036 /nfs/dbraw/zinc/95/70/36/523957036.db2.gz UWAOBFHLABVOEY-XMMPIXPASA-N 0 0 477.630 4.730 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1OC ZINC000013684308 523971074 /nfs/dbraw/zinc/97/10/74/523971074.db2.gz AGVBCQVDMZUSPA-UHFFFAOYSA-N 0 0 482.964 4.656 40 0 JJABRN COc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)cc1OC ZINC000016769878 523989564 /nfs/dbraw/zinc/98/95/64/523989564.db2.gz DDTWPMVUEAFGOY-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(NC(=O)c4ccc(OC)cc4)nc3)no2)cc1 ZINC000049155175 524030150 /nfs/dbraw/zinc/03/01/50/524030150.db2.gz IKODMQYFPAJBHF-QHCPKHFHSA-N 0 0 485.544 4.738 40 0 biogenic,in-vitro JJABRN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020491526 524062374 /nfs/dbraw/zinc/06/23/74/524062374.db2.gz XRPRPWKCHKWXKF-UHFFFAOYSA-N 0 0 479.440 4.500 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)c4ccccc4)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000067898890 524062412 /nfs/dbraw/zinc/06/24/12/524062412.db2.gz QFRVMIFFUXYTPB-YJXDZBRCSA-N 0 0 492.660 4.569 40 0 biogenic,in-vitro JJABRN Cc1ccc(C)c(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2ccccc2C)c1 ZINC000002616304 524139245 /nfs/dbraw/zinc/13/92/45/524139245.db2.gz PUXNKUMYDMZFBW-UHFFFAOYSA-N 0 0 469.570 4.689 40 0 JJABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000022572965 524199694 /nfs/dbraw/zinc/19/96/94/524199694.db2.gz VJOODZXFMFHRRW-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000020487800 524214047 /nfs/dbraw/zinc/21/40/47/524214047.db2.gz ZKUJNQDMYAHBER-MRXNPFEDSA-N 0 0 476.957 4.560 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3c4ccccc4C[C@@H]3C)cc12 ZINC000006244854 524215287 /nfs/dbraw/zinc/21/52/87/524215287.db2.gz XBPIURQBBWJDHS-DCFHFQCYSA-N 0 0 476.584 4.720 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c(Br)c1 ZINC000022715703 524309845 /nfs/dbraw/zinc/30/98/45/524309845.db2.gz WOTWUWAJWVDUFX-UHFFFAOYSA-N 0 0 479.330 4.884 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1C ZINC000022539784 524326505 /nfs/dbraw/zinc/32/65/05/524326505.db2.gz ZZAPYZIIIRVDJK-GOSISDBHSA-N 0 0 493.467 4.652 40 0 JJABRN Cc1cc(C)c2cc(CN(C3CCCCC3)S(=O)(=O)c3cccc4nsnc43)c(=O)[nH]c2c1 ZINC000006301276 524349534 /nfs/dbraw/zinc/34/95/34/524349534.db2.gz XGKVKPWBSRHLCK-UHFFFAOYSA-N 0 0 482.631 4.673 40 0 JJABRN Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000020457903 524349877 /nfs/dbraw/zinc/34/98/77/524349877.db2.gz RMJZURIUKNKMLL-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020105134 524362672 /nfs/dbraw/zinc/36/26/72/524362672.db2.gz PXTWGAQYUFNQHY-QGZVFWFLSA-N 0 0 490.984 4.869 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428695 524362678 /nfs/dbraw/zinc/36/26/78/524362678.db2.gz WWCUPFCIOFODQR-VWLOTQADSA-N 0 0 466.603 4.794 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429347 524365375 /nfs/dbraw/zinc/36/53/75/524365375.db2.gz RWTIHLPTCGXWRI-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000020455684 524408971 /nfs/dbraw/zinc/40/89/71/524408971.db2.gz HBIMFMHXKVYAFJ-BWKNWUBXSA-N 0 0 450.604 4.672 40 0 JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccn1C ZINC000012477852 524424857 /nfs/dbraw/zinc/42/48/57/524424857.db2.gz ABLGZRNEGRRJTF-AREMUKBSSA-N 0 0 479.646 4.857 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020452948 524428637 /nfs/dbraw/zinc/42/86/37/524428637.db2.gz KNEFNERHOFSDKR-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020459941 524429037 /nfs/dbraw/zinc/42/90/37/524429037.db2.gz MFIAQSVYXZQRSS-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020451387 524429404 /nfs/dbraw/zinc/42/94/04/524429404.db2.gz NBKPFYKJFREQBX-UHFFFAOYSA-N 0 0 493.412 4.856 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)c1 ZINC000044904442 524437502 /nfs/dbraw/zinc/43/75/02/524437502.db2.gz JBDZGEYLQQIVPC-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501341 524509687 /nfs/dbraw/zinc/50/96/87/524509687.db2.gz HGBQFAHENQOTIV-AREMUKBSSA-N 0 0 476.552 4.547 40 0 JJABRN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000012292154 524556847 /nfs/dbraw/zinc/55/68/47/524556847.db2.gz CZTFFYCLHJJKTK-SANMLTNESA-N 0 0 478.545 4.909 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448590 524639715 /nfs/dbraw/zinc/63/97/15/524639715.db2.gz BXMWDVNHKDFNAF-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1C ZINC000013676995 524655824 /nfs/dbraw/zinc/65/58/24/524655824.db2.gz JWVGGZVDBICJJY-KRWDZBQOSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccccc1OCCn1c(C)c(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000041108860 524679812 /nfs/dbraw/zinc/67/98/12/524679812.db2.gz WFCKVEBPVMTLHA-YZSQISJMSA-N 0 0 481.577 4.808 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)c1C ZINC000044900133 524690455 /nfs/dbraw/zinc/69/04/55/524690455.db2.gz BDBXWHYNSOODOD-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020491951 524691130 /nfs/dbraw/zinc/69/11/30/524691130.db2.gz FGJWFTQAQVUKPE-IBGZPJMESA-N 0 0 468.575 4.827 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1C ZINC000022564426 524719455 /nfs/dbraw/zinc/71/94/55/524719455.db2.gz FAEUSKWCVQEDOQ-UHFFFAOYSA-N 0 0 457.574 4.592 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000013505234 524738172 /nfs/dbraw/zinc/73/81/72/524738172.db2.gz VVLQGTDTSBQSEM-QHCPKHFHSA-N 0 0 465.026 4.656 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011729 524773433 /nfs/dbraw/zinc/77/34/33/524773433.db2.gz PDKUIUZGMBDSAS-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)c1 ZINC000013566980 524805331 /nfs/dbraw/zinc/80/53/31/524805331.db2.gz QIOGQVKNIHXPTL-UHFFFAOYSA-N 0 0 475.526 4.609 40 0 JJABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000044884219 524817034 /nfs/dbraw/zinc/81/70/34/524817034.db2.gz CEWJAQVFLHRYJH-UHFFFAOYSA-N 0 0 496.654 4.702 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000020490015 524865747 /nfs/dbraw/zinc/86/57/47/524865747.db2.gz FCSIMMYUURTCKR-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501342 524873577 /nfs/dbraw/zinc/87/35/77/524873577.db2.gz PRAULHUNZXMPQH-SANMLTNESA-N 0 0 476.552 4.547 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c(C)c1 ZINC000013506605 524876657 /nfs/dbraw/zinc/87/66/57/524876657.db2.gz JHOUVEPAXIHFQL-AREMUKBSSA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013672977 524891907 /nfs/dbraw/zinc/89/19/07/524891907.db2.gz OTARNCHUTDUQER-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000016217221 524936533 /nfs/dbraw/zinc/93/65/33/524936533.db2.gz PPNQCMIPYXSAEC-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535531 524946634 /nfs/dbraw/zinc/94/66/34/524946634.db2.gz FVZCOQGYOFPBDZ-SFHVURJKSA-N 0 0 474.985 4.590 40 0 JJABRN C[C@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449514 524979320 /nfs/dbraw/zinc/97/93/20/524979320.db2.gz HBRHWBVRHZLETL-AWEZNQCLSA-N 0 0 489.366 4.980 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccco4)cc3c2)cc1C ZINC000020447977 525005538 /nfs/dbraw/zinc/00/55/38/525005538.db2.gz OLUPJCFBHXKNHU-UHFFFAOYSA-N 0 0 470.572 4.566 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000020112440 525027619 /nfs/dbraw/zinc/02/76/19/525027619.db2.gz CUBGEDFKDQDXJB-HSZRJFAPSA-N 0 0 458.624 4.777 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000020454291 525069880 /nfs/dbraw/zinc/06/98/80/525069880.db2.gz AFUMATYIRUUBBJ-CQSZACIVSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000020006262 525070298 /nfs/dbraw/zinc/07/02/98/525070298.db2.gz IGWORNCAEQTAAC-FQEVSTJZSA-N 0 0 497.375 4.669 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C(=O)N1CCCCC1 ZINC000044886614 525076091 /nfs/dbraw/zinc/07/60/91/525076091.db2.gz JMJFONABFXHPES-AREMUKBSSA-N 0 0 478.614 4.698 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc3n2c2cc(Cl)ccc2c(=O)n3CC(C)C)c(C)c1 ZINC000033255131 525086289 /nfs/dbraw/zinc/08/62/89/525086289.db2.gz UYSQMGBQKWPMIC-UHFFFAOYSA-N 0 0 469.998 4.701 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000022527021 525102688 /nfs/dbraw/zinc/10/26/88/525102688.db2.gz GUWSJQIXRVFSAR-UHFFFAOYSA-N 0 0 456.589 4.844 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000022605968 525119068 /nfs/dbraw/zinc/11/90/68/525119068.db2.gz JQDBTUFTJFAVGY-QGZVFWFLSA-N 0 0 490.984 4.702 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 ZINC000020019928 525119087 /nfs/dbraw/zinc/11/90/87/525119087.db2.gz BAYCHHFVDLIWRV-MRXNPFEDSA-N 0 0 489.391 4.506 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@H](C(=O)NC(C)(C)C)c2ccccc2Cl)no1 ZINC000012491846 525120774 /nfs/dbraw/zinc/12/07/74/525120774.db2.gz YIAPNMFRSKUYID-QHCPKHFHSA-N 0 0 491.032 4.886 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1OC ZINC000020041012 525143877 /nfs/dbraw/zinc/14/38/77/525143877.db2.gz BMVIVLYZNBBYDC-PUAOIOHZSA-N 0 0 466.559 4.562 40 0 JJABRN Cc1cc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)ccc1Br ZINC000022529203 525165282 /nfs/dbraw/zinc/16/52/82/525165282.db2.gz OAAKKCMDKJQKQW-UHFFFAOYSA-N 0 0 450.130 4.926 40 0 JJABRN Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)N(C)C2)cc1 ZINC000020464131 525183651 /nfs/dbraw/zinc/18/36/51/525183651.db2.gz HNTYPDWZMUKOEW-WMZOPIPTSA-N 0 0 461.444 4.511 40 0 biogenic,in-vitro JJABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccc(Cl)cc21 ZINC000020481263 525184803 /nfs/dbraw/zinc/18/48/03/525184803.db2.gz AOCJZROIULPYMN-NRFANRHFSA-N 0 0 493.368 4.951 40 0 JJABRN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccccc2Cl)C1 ZINC000013562517 525205469 /nfs/dbraw/zinc/20/54/69/525205469.db2.gz AGDBLRHHBLGWOY-IAGOWNOFSA-N 0 0 471.026 4.925 40 0 JJABRN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)c(OC)c1 ZINC000026770873 525211193 /nfs/dbraw/zinc/21/11/93/525211193.db2.gz IRGQTWWLZIQQSR-VWLOTQADSA-N 0 0 479.646 4.971 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022509669 525217904 /nfs/dbraw/zinc/21/79/04/525217904.db2.gz QGQFVLKCVXRFHM-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000008783179 525274923 /nfs/dbraw/zinc/27/49/23/525274923.db2.gz SOXDNXJXFYXTBP-UIJIYQIOSA-N 0 0 481.589 4.629 40 0 biogenic,in-vitro JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 ZINC000012475041 525287902 /nfs/dbraw/zinc/28/79/02/525287902.db2.gz LEDLOPPTNKPLAW-HHHXNRCGSA-N 0 0 459.590 4.900 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1C ZINC000020020019 525301231 /nfs/dbraw/zinc/30/12/31/525301231.db2.gz JWTKNQVIOUDAEF-UHFFFAOYSA-N 0 0 464.465 4.539 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537088 525301281 /nfs/dbraw/zinc/30/12/81/525301281.db2.gz NUDSYYFKGGHQID-INIZCTEOSA-N 0 0 476.957 4.845 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000020023793 525304129 /nfs/dbraw/zinc/30/41/29/525304129.db2.gz GXLJUZQUYXWENP-PMACEKPBSA-N 0 0 466.603 4.545 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429295 525305331 /nfs/dbraw/zinc/30/53/31/525305331.db2.gz BMVAPKAZIFNNAF-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427792 525347551 /nfs/dbraw/zinc/34/75/51/525347551.db2.gz SBVBLEZESWVGTF-VWLOTQADSA-N 0 0 466.603 4.794 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000020491808 525347661 /nfs/dbraw/zinc/34/76/61/525347661.db2.gz JYVYDBJEKWTZEO-FQEVSTJZSA-N 0 0 473.422 4.672 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000030847301 525369311 /nfs/dbraw/zinc/36/93/11/525369311.db2.gz LQGCFBLGLKAFOK-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc2c(c1)OCO2 ZINC000013502181 525398394 /nfs/dbraw/zinc/39/83/94/525398394.db2.gz IKUYCWGYEUSIIW-AREMUKBSSA-N 0 0 471.557 4.956 40 0 JJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3I)o2)cc1C ZINC000019927977 525452534 /nfs/dbraw/zinc/45/25/34/525452534.db2.gz USURHMUGZVGVOC-UHFFFAOYSA-N 0 0 495.342 4.601 40 0 JJABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3c4ccccc4C[C@@H]3C)cc2c1 ZINC000012469514 525476157 /nfs/dbraw/zinc/47/61/57/525476157.db2.gz VEYIPOTYQDHCNA-SSOJOUAXSA-N 0 0 470.577 4.569 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020482642 525494386 /nfs/dbraw/zinc/49/43/86/525494386.db2.gz SYIOORMIWXWEKO-UHFFFAOYSA-N 0 0 493.629 4.804 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000013675355 525502746 /nfs/dbraw/zinc/50/27/46/525502746.db2.gz HCGTXHFTFLZPDO-UHFFFAOYSA-N 0 0 462.493 4.872 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(Cl)cc2)c2ccccc2F)cc1 ZINC000022526735 525503627 /nfs/dbraw/zinc/50/36/27/525503627.db2.gz CDBUNOGBFOBXLZ-UHFFFAOYSA-N 0 0 460.958 4.641 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(Br)cc2)cc1 ZINC000013648349 525503847 /nfs/dbraw/zinc/50/38/47/525503847.db2.gz FTZDIZDWJCMEDV-UHFFFAOYSA-N 0 0 485.403 4.542 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(C)c(C)c2)cc1 ZINC000020462715 525504682 /nfs/dbraw/zinc/50/46/82/525504682.db2.gz QSGRDHDKZQRPIB-UHFFFAOYSA-N 0 0 480.630 4.911 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000022430714 525505522 /nfs/dbraw/zinc/50/55/22/525505522.db2.gz CKORWJKURUSFNU-UHFFFAOYSA-N 0 0 454.567 4.769 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)Cc2c(F)cccc2Cl)cc1 ZINC000022535871 525507465 /nfs/dbraw/zinc/50/74/65/525507465.db2.gz WKGIFQVJVXKIPD-KRWDZBQOSA-N 0 0 492.975 4.995 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccccc2F)cc1 ZINC000022323865 525507702 /nfs/dbraw/zinc/50/77/02/525507702.db2.gz YKJDFNRQUUYUME-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000022537636 525574899 /nfs/dbraw/zinc/57/48/99/525574899.db2.gz JDIIYFJTXYRHCP-RBUKOAKNSA-N 0 0 454.567 4.675 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022539519 525583292 /nfs/dbraw/zinc/58/32/92/525583292.db2.gz SNBIXIOBFZYXQK-GJZUVCINSA-N 0 0 464.631 4.687 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)cc1 ZINC000013506228 525676237 /nfs/dbraw/zinc/67/62/37/525676237.db2.gz DSVLCRUJLMQCDK-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cc2cccs2)cc1 ZINC000012476141 525677763 /nfs/dbraw/zinc/67/77/63/525677763.db2.gz WHSNAMWOBYXGAQ-RDGATRHJSA-N 0 0 454.636 4.797 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000020456389 525692503 /nfs/dbraw/zinc/69/25/03/525692503.db2.gz NTBDPELVIPIRHL-QGZVFWFLSA-N 0 0 467.006 4.515 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044849976 525693604 /nfs/dbraw/zinc/69/36/04/525693604.db2.gz WDZCSSJWQDSJNW-MRXNPFEDSA-N 0 0 469.434 4.721 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022429444 525756550 /nfs/dbraw/zinc/75/65/50/525756550.db2.gz VHQSMLJCFKYWJM-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020455370 525768961 /nfs/dbraw/zinc/76/89/61/525768961.db2.gz FDFVOZFTVPUPPS-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000013506237 525873709 /nfs/dbraw/zinc/87/37/09/525873709.db2.gz WNWACIPXVFPTFH-XMMPIXPASA-N 0 0 495.670 4.677 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020104335 525887815 /nfs/dbraw/zinc/88/78/15/525887815.db2.gz VGMHZMXZAMQWHV-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020492382 525890402 /nfs/dbraw/zinc/89/04/02/525890402.db2.gz BGQBCQRLYGPNDN-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036093804 525965937 /nfs/dbraw/zinc/96/59/37/525965937.db2.gz FHJLIAKLTPDSOT-PXDATVDWSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496464 525980546 /nfs/dbraw/zinc/98/05/46/525980546.db2.gz ORKABBOFZJCANG-RUZDIDTESA-N 0 0 481.629 4.551 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466337 526084403 /nfs/dbraw/zinc/08/44/03/526084403.db2.gz FMQKELQSMIOHRW-WAQSVQBNSA-N 0 0 456.671 4.683 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1ccccc1Cl)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467157 526085162 /nfs/dbraw/zinc/08/51/62/526085162.db2.gz YTVBVNDIRFEGOV-OGYPAPHJSA-N 0 0 498.067 4.609 40 0 biogenic,in-vitro JJABRN Cc1cc(Br)ccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000022529209 526171378 /nfs/dbraw/zinc/17/13/78/526171378.db2.gz XAKVIAJICNQRCV-UHFFFAOYSA-N 0 0 450.130 4.926 40 0 JJABRN CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004804 526176190 /nfs/dbraw/zinc/17/61/90/526176190.db2.gz UVIIZGCDNPBKJK-QFIPXVFZSA-N 0 0 468.644 4.862 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 ZINC000022572227 526215687 /nfs/dbraw/zinc/21/56/87/526215687.db2.gz COBCFYVQJAVLNL-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000022739011 526216231 /nfs/dbraw/zinc/21/62/31/526216231.db2.gz KSLDXTNYBZVBEN-UHFFFAOYSA-N 0 0 481.965 4.526 40 0 JJABRN Cc1ccc(C(O)=C2[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000016183309 526241190 /nfs/dbraw/zinc/24/11/90/526241190.db2.gz BQDRPRMARQFALJ-DPLHUUCSSA-N 0 0 470.447 4.891 40 0 JJABRN O=C(CCC(=O)N([C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)C1CCCC1)Nc1ccccn1 ZINC000013501328 526376735 /nfs/dbraw/zinc/37/67/35/526376735.db2.gz KZURGHGFGZCKJE-HHHXNRCGSA-N 0 0 494.611 4.901 40 0 JJABRN O=C(Oc1ccccc1)c1ccc(COc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000016490629 526445394 /nfs/dbraw/zinc/44/53/94/526445394.db2.gz UAIZYGGGQIWUHD-PJTSNVSCSA-N 0 0 465.505 4.796 40 0 JJABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000044904416 526649524 /nfs/dbraw/zinc/64/95/24/526649524.db2.gz SWSRIPCXUWODCG-MHZLTWQESA-N 0 0 468.582 4.577 40 0 JJABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000016479178 526697293 /nfs/dbraw/zinc/69/72/93/526697293.db2.gz FRKQXTLEMNJUPJ-UHFFFAOYSA-N 0 0 463.386 4.866 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(F)cc1 ZINC000020011438 526698898 /nfs/dbraw/zinc/69/88/98/526698898.db2.gz VEBXGJWSHBYQLG-UHFFFAOYSA-N 0 0 481.376 4.640 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000016479528 526700465 /nfs/dbraw/zinc/70/04/65/526700465.db2.gz NCISYUNTAKYVLS-UHFFFAOYSA-N 0 0 470.594 4.783 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000022429042 526701938 /nfs/dbraw/zinc/70/19/38/526701938.db2.gz RIEPODFWEXGCLG-UHFFFAOYSA-N 0 0 467.349 4.644 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCSCc1ccco1 ZINC000016491289 526703311 /nfs/dbraw/zinc/70/33/11/526703311.db2.gz PWPCALLDDMPITA-UHFFFAOYSA-N 0 0 499.441 4.831 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCSc1ccc(Cl)cc1 ZINC000019869010 526826694 /nfs/dbraw/zinc/82/66/94/526826694.db2.gz LZDXRISCVJHUNS-UHFFFAOYSA-N 0 0 476.982 4.563 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506264 526870280 /nfs/dbraw/zinc/87/02/80/526870280.db2.gz IYDALNMZORRCRO-QHCPKHFHSA-N 0 0 499.633 4.507 40 0 JJABRN O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)OC(c1ccccc1)c1ccccc1 ZINC000016477820 526885070 /nfs/dbraw/zinc/88/50/70/526885070.db2.gz QKRBGYAQIUARRB-UHFFFAOYSA-N 0 0 450.343 4.605 40 0 JJABRN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000020453374 526914525 /nfs/dbraw/zinc/91/45/25/526914525.db2.gz HGSRPBFFJYSIMN-HTAPYJJXSA-N 0 0 481.445 4.729 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016479634 526966132 /nfs/dbraw/zinc/96/61/32/526966132.db2.gz LBMBATZNBOCQTQ-UHFFFAOYSA-N 0 0 478.614 4.515 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1c(Cl)cccc1Cl ZINC000016490376 526967767 /nfs/dbraw/zinc/96/77/67/526967767.db2.gz XPPGICIIQXGPTD-UHFFFAOYSA-N 0 0 451.331 4.812 40 0 JJABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000013684122 526973222 /nfs/dbraw/zinc/97/32/22/526973222.db2.gz UIPKIMOXDSUUBU-QGZVFWFLSA-N 0 0 483.362 4.529 40 0 JJABRN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1cccc(F)c1 ZINC000016493747 527067617 /nfs/dbraw/zinc/06/76/17/527067617.db2.gz UQNGOXVEAHNURM-UHFFFAOYSA-N 0 0 451.548 4.806 40 0 JJABRN O=C1S[C@H](Nc2ccc(Br)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000016740554 527103912 /nfs/dbraw/zinc/10/39/12/527103912.db2.gz ODKSKZSEKZOOHD-AWEZNQCLSA-N 0 0 456.159 4.845 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2 ZINC000008300364 527180008 /nfs/dbraw/zinc/18/00/08/527180008.db2.gz MDWAFLRYVMMLKV-DOTOQJQBSA-N 0 0 480.927 4.544 40 0 biogenic,in-vitro JJABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000020016626 527191759 /nfs/dbraw/zinc/19/17/59/527191759.db2.gz LCNITQVGRHCABD-GFCCVEGCSA-N 0 0 464.868 4.537 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020459980 527254310 /nfs/dbraw/zinc/25/43/10/527254310.db2.gz KDHQFEXAAVNOJX-UHFFFAOYSA-N 0 0 482.627 4.895 40 0 JJABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(-c3ccccc3)cc2)C1)c1ccco1 ZINC000004258896 527298118 /nfs/dbraw/zinc/29/81/18/527298118.db2.gz HBXXVDRGPNNOEN-WMZHIEFXSA-N 0 0 479.536 4.620 40 0 biogenic,in-vitro JJABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1)c1ccccc1 ZINC000004270981 527298527 /nfs/dbraw/zinc/29/85/27/527298527.db2.gz YXNXFOOKZHIFMO-YADARESESA-N 0 0 463.537 4.513 40 0 biogenic,in-vitro JJABRN NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccc(F)c2)cc1 ZINC000020412983 527314798 /nfs/dbraw/zinc/31/47/98/527314798.db2.gz BIJMVQANVXMWRZ-NRFANRHFSA-N 0 0 474.355 4.591 40 0 JJABRN O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1 ZINC000004258889 527395406 /nfs/dbraw/zinc/39/54/06/527395406.db2.gz ADABNAXLEVJLHU-WMZHIEFXSA-N 0 0 478.552 4.905 40 0 biogenic,in-vitro JJABRN O=C(Cn1cnc2ccccc21)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000004093004 527401838 /nfs/dbraw/zinc/40/18/38/527401838.db2.gz IERFCUSVWRZGIK-HHHXNRCGSA-N 0 0 470.573 4.848 40 0 JJABRN O=c1/c(=C\c2c[nH]c3ccccc23)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000016157995 527433509 /nfs/dbraw/zinc/43/35/09/527433509.db2.gz MRZRVOUJFOTGRT-AQIZGWBQSA-N 0 0 465.603 4.862 40 0 JJABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCCc1ccccc1)C1CCCCC1)OCO3 ZINC000006446466 527442831 /nfs/dbraw/zinc/44/28/31/527442831.db2.gz BOXWOZLHGUHMIR-UHFFFAOYSA-N 0 0 463.603 4.509 40 0 JJABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677463 527478650 /nfs/dbraw/zinc/47/86/50/527478650.db2.gz BEQXWJNBYIGQKE-QCYTXABWSA-N 0 0 485.477 4.620 40 0 JJABRN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1Cl ZINC000008647339 527583988 /nfs/dbraw/zinc/58/39/88/527583988.db2.gz LJILNPZLDBKEMU-UHFFFAOYSA-N 0 0 462.284 4.715 40 0 JJABRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Br)c12 ZINC000027984941 527684182 /nfs/dbraw/zinc/68/41/82/527684182.db2.gz XXQQSGWZZYIUMF-UHFFFAOYSA-N 0 0 464.161 4.931 40 0 JJABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1C)C(=O)Cc1cccs1 ZINC000012477972 527694870 /nfs/dbraw/zinc/69/48/70/527694870.db2.gz NEQRMCWJVCRNCW-MHZLTWQESA-N 0 0 492.689 4.902 40 0 JJABRN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000789469 553781578 /nfs/dbraw/zinc/78/15/78/553781578.db2.gz FPKZPTYLEDLFEK-UHFFFAOYSA-N 0 0 469.006 4.647 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)C(F)(F)F)c1OC ZINC000000800142 553783934 /nfs/dbraw/zinc/78/39/34/553783934.db2.gz FSCCUJSTDMKCTF-IBGZPJMESA-N 0 0 484.540 4.846 40 0 JJABRN CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 ZINC000000827150 553788838 /nfs/dbraw/zinc/78/88/38/553788838.db2.gz MAPAFBIJRZUYLD-CEFACKQISA-N 0 0 458.605 4.585 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000000835308 553791549 /nfs/dbraw/zinc/79/15/49/553791549.db2.gz IBKFDVDFLZAPHX-UHFFFAOYSA-N 0 0 459.365 4.668 40 0 JJABRN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(OC)c(OC)c4)C32)cc1 ZINC000000843622 553794306 /nfs/dbraw/zinc/79/43/06/553794306.db2.gz FADVCKOTTNGQSU-UIOOFZCWSA-N 0 0 468.513 4.517 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2cccc(Br)c2)n1 ZINC000000852492 553798815 /nfs/dbraw/zinc/79/88/15/553798815.db2.gz ONFJJHSWKMJESN-UHFFFAOYSA-N 0 0 453.749 4.627 40 0 JJABRN COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc(OC)c1OC ZINC000000866759 553805929 /nfs/dbraw/zinc/80/59/29/553805929.db2.gz XIDUTXMSLJFUPW-YJBOKZPZSA-N 0 0 496.511 4.561 40 0 JJABRN COC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000000871245 553809241 /nfs/dbraw/zinc/80/92/41/553809241.db2.gz WEYOWGHGKKXSHU-UHFFFAOYSA-N 0 0 485.389 4.794 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000000871229 553809314 /nfs/dbraw/zinc/80/93/14/553809314.db2.gz 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Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc12 ZINC000000882204 553818979 /nfs/dbraw/zinc/81/89/79/553818979.db2.gz NZRFQKUFYHUZDW-GFCCVEGCSA-N 0 0 450.589 4.933 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2OC)cc1 ZINC000000882781 553819527 /nfs/dbraw/zinc/81/95/27/553819527.db2.gz BCJRMRRMADSCPD-UHFFFAOYSA-N 0 0 460.559 4.991 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(OC)cc3)cc2c1 ZINC000000883213 553819950 /nfs/dbraw/zinc/81/99/50/553819950.db2.gz PUUIILHJDLSOLO-UHFFFAOYSA-N 0 0 463.559 4.928 40 0 JJABRN CC(=O)c1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000000883455 553820577 /nfs/dbraw/zinc/82/05/77/553820577.db2.gz GLNAPRCNWVRMNH-QHCPKHFHSA-N 0 0 462.575 4.578 40 0 JJABRN COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)NCCc2ccccc2)cc1 ZINC000000884013 553821139 /nfs/dbraw/zinc/82/11/39/553821139.db2.gz WQEPEZUZVYVJFF-UHFFFAOYSA-N 0 0 471.626 4.965 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=S)Nc2ccccc2OC)cc1 ZINC000000884364 553822191 /nfs/dbraw/zinc/82/21/91/553822191.db2.gz FVNLHWULTGLMSV-UHFFFAOYSA-N 0 0 489.597 4.953 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=S)Nc2ccc(OC)cc2)cc1 ZINC000000884362 553822238 /nfs/dbraw/zinc/82/22/38/553822238.db2.gz ZUDMHPVDZLWZGC-UHFFFAOYSA-N 0 0 489.597 4.953 40 0 JJABRN CC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 ZINC000000887813 553825978 /nfs/dbraw/zinc/82/59/78/553825978.db2.gz ISLSSMWBAQIOKU-UHFFFAOYSA-N 0 0 458.543 4.780 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]c2c1 ZINC000000891858 553829448 /nfs/dbraw/zinc/82/94/48/553829448.db2.gz QYUDAARPIHXXPG-UHFFFAOYSA-N 0 0 456.951 4.782 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)OC4CCCCC4)o3)cc2)cc1 ZINC000000897087 553832854 /nfs/dbraw/zinc/83/28/54/553832854.db2.gz XDOPXCFSITWDJL-UHFFFAOYSA-N 0 0 487.603 4.814 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000000901652 553835122 /nfs/dbraw/zinc/83/51/22/553835122.db2.gz YLPZLEZUEXJCQS-VWLOTQADSA-N 0 0 473.602 4.635 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000000902459 553835849 /nfs/dbraw/zinc/83/58/49/553835849.db2.gz PGPREURDEXDQKV-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000000902454 553835879 /nfs/dbraw/zinc/83/58/79/553835879.db2.gz YOZCCLALVASWHY-SANMLTNESA-N 0 0 489.526 4.543 40 0 JJABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1nc2c(s1)CCCC2 ZINC000000902837 553836147 /nfs/dbraw/zinc/83/61/47/553836147.db2.gz UALMMYVRTLKFQU-UHFFFAOYSA-N 0 0 457.625 4.560 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000905869 553838042 /nfs/dbraw/zinc/83/80/42/553838042.db2.gz GQSHLIRKQGXTBA-SANMLTNESA-N 0 0 487.629 4.712 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c12 ZINC000000913510 553842322 /nfs/dbraw/zinc/84/23/22/553842322.db2.gz JLRDORRAHYMRBG-UHFFFAOYSA-N 0 0 452.963 4.881 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c12 ZINC000000913571 553842329 /nfs/dbraw/zinc/84/23/29/553842329.db2.gz RBYFRYBAWVQZQQ-UHFFFAOYSA-N 0 0 496.972 4.610 40 0 JJABRN COc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000914256 553843752 /nfs/dbraw/zinc/84/37/52/553843752.db2.gz DSIFLDFLUCDEFF-UHFFFAOYSA-N 0 0 454.592 4.677 40 0 JJABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3C(F)(F)F)c(=O)[nH]c2c1C ZINC000000914410 553844015 /nfs/dbraw/zinc/84/40/15/553844015.db2.gz VWZIBYBEGNHYAM-IBGZPJMESA-N 0 0 494.535 4.534 40 0 JJABRN CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000000915997 553846086 /nfs/dbraw/zinc/84/60/86/553846086.db2.gz ZEQCZUKKNVEXAL-UHFFFAOYSA-N 0 0 489.395 4.573 40 0 JJABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000915969 553846143 /nfs/dbraw/zinc/84/61/43/553846143.db2.gz URBVTKAJXAATLG-UHFFFAOYSA-N 0 0 450.486 4.935 40 0 JJABRN COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1O ZINC000000915877 553846205 /nfs/dbraw/zinc/84/62/05/553846205.db2.gz LJQMSDUMBJPQGY-UHFFFAOYSA-N 0 0 460.559 4.996 40 0 JJABRN COc1cccc(NC(=O)CSc2nnc(COc3ccccc3C)n2Cc2ccccc2)c1 ZINC000000916342 553847447 /nfs/dbraw/zinc/84/74/47/553847447.db2.gz PWPQVWXHEMOAOZ-UHFFFAOYSA-N 0 0 474.586 4.953 40 0 JJABRN COc1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2Cc2ccccc2)c1 ZINC000000916519 553847748 /nfs/dbraw/zinc/84/77/48/553847748.db2.gz KUFIKIJIINCJTC-UHFFFAOYSA-N 0 0 474.586 4.953 40 0 JJABRN CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1 ZINC000000919692 553850992 /nfs/dbraw/zinc/85/09/92/553850992.db2.gz GBHATUNTCNFHBC-UHFFFAOYSA-N 0 0 486.667 4.546 40 0 aggregator JJABRN CCc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000000920249 553852914 /nfs/dbraw/zinc/85/29/14/553852914.db2.gz NXXZXAYZWLYWLO-UHFFFAOYSA-N 0 0 475.570 4.854 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(OC)cc2)cc1 ZINC000000921368 553854190 /nfs/dbraw/zinc/85/41/90/553854190.db2.gz YCWWQXYNGGZBBZ-AREMUKBSSA-N 0 0 488.588 4.721 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2cccc(C)c2)cc1 ZINC000000921425 553854306 /nfs/dbraw/zinc/85/43/06/553854306.db2.gz XEZVBDBXPLNQNP-VWLOTQADSA-N 0 0 458.562 4.631 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C)cc2)cc1OC ZINC000000921511 553854688 /nfs/dbraw/zinc/85/46/88/553854688.db2.gz JXFPTSBMSNTTHQ-SANMLTNESA-N 0 0 488.588 4.639 40 0 JJABRN Cc1cccc(CCN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)c1 ZINC000000923156 553857373 /nfs/dbraw/zinc/85/73/73/553857373.db2.gz JAEKVTTZLZMRLK-UHFFFAOYSA-N 0 0 460.599 4.887 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000923273 553857647 /nfs/dbraw/zinc/85/76/47/553857647.db2.gz PYBVFDLQZLZERY-UHFFFAOYSA-N 0 0 452.601 4.906 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C(=S)NCCc3ccc(OC)c(OC)c3)C3CCCC3)cc2c1 ZINC000000924184 553859212 /nfs/dbraw/zinc/85/92/12/553859212.db2.gz CEKJMOBADDAWKZ-UHFFFAOYSA-N 0 0 493.673 4.970 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2-c2ccccc2)cc1 ZINC000000924706 553859968 /nfs/dbraw/zinc/85/99/68/553859968.db2.gz YAAPJHADEDYLND-UHFFFAOYSA-N 0 0 476.558 4.594 40 0 JJABRN COc1ccc(OCc2nnc(SCC(=O)c3ccc(OC)cc3)n2-c2ccccc2)cc1 ZINC000000925182 553860576 /nfs/dbraw/zinc/86/05/76/553860576.db2.gz VGFRMKUWYMIVKG-UHFFFAOYSA-N 0 0 461.543 4.839 40 0 JJABRN Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C ZINC000000925583 553861521 /nfs/dbraw/zinc/86/15/21/553861521.db2.gz HCDXROOIFVFOGJ-HSZRJFAPSA-N 0 0 482.646 4.812 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)Cc3ccc(F)cc3)cc2c1 ZINC000000925907 553862063 /nfs/dbraw/zinc/86/20/63/553862063.db2.gz ZIDJTGRHFVLXHH-UHFFFAOYSA-N 0 0 460.557 4.534 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)Cc3ccc(F)cc3)cc2c1 ZINC000000925931 553862108 /nfs/dbraw/zinc/86/21/08/553862108.db2.gz FIFWBFHJEIWVLT-UHFFFAOYSA-N 0 0 474.584 4.924 40 0 JJABRN Cc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926135 553862349 /nfs/dbraw/zinc/86/23/49/553862349.db2.gz SCUPIRYNQRTVHK-UHFFFAOYSA-N 0 0 456.594 4.573 40 0 JJABRN Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000926119 553862426 /nfs/dbraw/zinc/86/24/26/553862426.db2.gz FVLUZHWTDPEJMJ-UHFFFAOYSA-N 0 0 460.557 4.670 40 0 JJABRN CCC(C)(C)n1nnnc1CN(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926717 553863008 /nfs/dbraw/zinc/86/30/08/553863008.db2.gz DZEIHQVNVWXIRM-UHFFFAOYSA-N 0 0 458.610 4.521 40 0 JJABRN COc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 ZINC000000926640 553863080 /nfs/dbraw/zinc/86/30/80/553863080.db2.gz UQSLZNICBPTVOS-UHFFFAOYSA-N 0 0 486.620 4.523 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3nnnn3Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000927417 553864146 /nfs/dbraw/zinc/86/41/46/553864146.db2.gz WNLAXGMBSKTBKE-UHFFFAOYSA-N 0 0 482.563 4.521 40 0 JJABRN COc1ccc2cc(CN(Cc3ccccc3OC)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000928136 553865518 /nfs/dbraw/zinc/86/55/18/553865518.db2.gz 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COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Br)c3)C2=O)cc1 ZINC000009462492 555231506 /nfs/dbraw/zinc/23/15/06/555231506.db2.gz WYVWBPPALSLZKV-VSKRKVRLSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013151208 555358838 /nfs/dbraw/zinc/35/88/38/555358838.db2.gz ZEJVQETXJWHEID-HSZRJFAPSA-N 0 0 459.623 4.618 40 0 JJABRN Cc1cccc(C)c1-n1c2nnc(SCC(=O)c3ccc(F)cc3)n2c2ccccc2c1=O ZINC000009562969 555364875 /nfs/dbraw/zinc/36/48/75/555364875.db2.gz FWHXIRJFTRQUNW-UHFFFAOYSA-N 0 0 458.518 4.764 40 0 JJABRN CCc1ccc(-n2c3nnc(SCC(=O)Nc4ccccc4C)n3c3ccccc3c2=O)cc1 ZINC000009666611 555379534 /nfs/dbraw/zinc/37/95/34/555379534.db2.gz ZWQRZQGKYZBZQQ-UHFFFAOYSA-N 0 0 469.570 4.635 40 0 JJABRN CCOc1ccc(N(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013494357 555404170 /nfs/dbraw/zinc/40/41/70/555404170.db2.gz KGOPPKCQHPEZNV-QHCPKHFHSA-N 0 0 482.581 4.913 40 0 JJABRN Cc1cccc(CCN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013494347 555404186 /nfs/dbraw/zinc/40/41/86/555404186.db2.gz MFSDLFPPHSBBNX-DEOSSOPVSA-N 0 0 480.609 4.861 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494452 555404571 /nfs/dbraw/zinc/40/45/71/555404571.db2.gz JXXRIIQGDCZEAD-DEOSSOPVSA-N 0 0 492.599 4.961 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495328 555407566 /nfs/dbraw/zinc/40/75/66/555407566.db2.gz XSCDIWFQTBFVQU-RUZDIDTESA-N 0 0 487.608 4.577 40 0 JJABRN COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(=O)CN1CCCCC1 ZINC000013496045 555410871 /nfs/dbraw/zinc/41/08/71/555410871.db2.gz YXRQVJPCKRPJEE-UHFFFAOYSA-N 0 0 453.583 4.678 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498482 555421294 /nfs/dbraw/zinc/42/12/94/555421294.db2.gz TWAYRPCPDWIIEY-XMMPIXPASA-N 0 0 458.610 4.978 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498606 555422401 /nfs/dbraw/zinc/42/24/01/555422401.db2.gz GUDXSFBCOIQODU-JOCHJYFZSA-N 0 0 480.638 4.739 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498618 555422958 /nfs/dbraw/zinc/42/29/58/555422958.db2.gz NHPAPTRYGBUEGJ-QHCPKHFHSA-N 0 0 478.597 4.661 40 0 JJABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009694968 555424699 /nfs/dbraw/zinc/42/46/99/555424699.db2.gz ZOOPBEKCFNRHGN-UHFFFAOYSA-N 0 0 464.996 4.700 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1C ZINC000009694969 555424827 /nfs/dbraw/zinc/42/48/27/555424827.db2.gz XTUNXFGYPBYNEZ-UHFFFAOYSA-N 0 0 464.996 4.700 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499364 555430821 /nfs/dbraw/zinc/43/08/21/555430821.db2.gz BIUQLRFSKHSGPM-DEOSSOPVSA-N 0 0 474.609 4.822 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n21)CC[C@H](C)C3 ZINC000013499785 555434769 /nfs/dbraw/zinc/43/47/69/555434769.db2.gz CWOBICZWQVPFPB-ZDUSSCGKSA-N 0 0 494.646 4.715 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4cc(OC)ccc4OC)n21)CCCC3 ZINC000013499890 555435407 /nfs/dbraw/zinc/43/54/07/555435407.db2.gz QRJNNHRRNDEADT-UHFFFAOYSA-N 0 0 468.604 4.772 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500208 555437632 /nfs/dbraw/zinc/43/76/32/555437632.db2.gz SBFQIUBZEYHVIW-DEOSSOPVSA-N 0 0 458.610 4.978 40 0 JJABRN COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500231 555438152 /nfs/dbraw/zinc/43/81/52/555438152.db2.gz ZHUICXLXEPATBA-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500258 555438611 /nfs/dbraw/zinc/43/86/11/555438611.db2.gz AAPNBJSFBVUYDT-QHCPKHFHSA-N 0 0 462.598 4.879 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500392 555439766 /nfs/dbraw/zinc/43/97/66/555439766.db2.gz DWJGXHGQFSHGNA-UKILVPOCSA-N 0 0 478.641 4.707 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500438 555440150 /nfs/dbraw/zinc/44/01/50/555440150.db2.gz JYPVDXIZIYKRMT-AREMUKBSSA-N 0 0 482.588 4.864 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500921 555445119 /nfs/dbraw/zinc/44/51/19/555445119.db2.gz DNILWHNQLAVDSS-DEOSSOPVSA-N 0 0 472.549 4.601 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501105 555447306 /nfs/dbraw/zinc/44/73/06/555447306.db2.gz RRTRYDGLDLUVMG-DEOSSOPVSA-N 0 0 456.594 4.767 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501142 555447806 /nfs/dbraw/zinc/44/78/06/555447806.db2.gz BJBYZCNDSSLEDI-RUZDIDTESA-N 0 0 456.594 4.767 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)C)c1ccc(F)cc1 ZINC000013501338 555449313 /nfs/dbraw/zinc/44/93/13/555449313.db2.gz IIJXATFYIYHOBB-SANMLTNESA-N 0 0 476.552 4.547 40 0 JJABRN CC(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000013501436 555449649 /nfs/dbraw/zinc/44/96/49/555449649.db2.gz AIUDQYVSDPSLBD-RUZDIDTESA-N 0 0 496.970 4.892 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501457 555449877 /nfs/dbraw/zinc/44/98/77/555449877.db2.gz OPCNDDNJYVPKRB-DEOSSOPVSA-N 0 0 496.608 4.686 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501751 555451201 /nfs/dbraw/zinc/45/12/01/555451201.db2.gz YSFIFFUXQLTZOL-HSZRJFAPSA-N 0 0 482.581 4.608 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCCC1 ZINC000013501797 555451481 /nfs/dbraw/zinc/45/14/81/555451481.db2.gz WCRSSLIKKMSFMM-QFIPXVFZSA-N 0 0 488.629 4.818 40 0 JJABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000013502096 555452780 /nfs/dbraw/zinc/45/27/80/555452780.db2.gz BOGWQOGQRGIENQ-VWLOTQADSA-N 0 0 461.562 4.906 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc2c(c1)OCO2 ZINC000013502182 555453278 /nfs/dbraw/zinc/45/32/78/555453278.db2.gz IKUYCWGYEUSIIW-SANMLTNESA-N 0 0 471.557 4.956 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c(OC)c1 ZINC000013502220 555453644 /nfs/dbraw/zinc/45/36/44/555453644.db2.gz FCUSIIFPQCPLFX-SANMLTNESA-N 0 0 473.573 4.936 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)cc1OC ZINC000013502224 555453667 /nfs/dbraw/zinc/45/36/67/555453667.db2.gz ZFAXLDLXKSABFS-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)c1 ZINC000013502251 555453780 /nfs/dbraw/zinc/45/37/80/555453780.db2.gz HGLWTQIHKUZQHZ-AREMUKBSSA-N 0 0 457.574 4.923 40 0 JJABRN COc1cccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)c1 ZINC000013502247 555453803 /nfs/dbraw/zinc/45/38/03/555453803.db2.gz XBFSLSHPNDWWQU-HHHXNRCGSA-N 0 0 487.600 4.931 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)cc1 ZINC000013502323 555454312 /nfs/dbraw/zinc/45/43/12/555454312.db2.gz KPBYUJJNBRCFOX-DEOSSOPVSA-N 0 0 463.603 4.984 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccccn2)cc1 ZINC000013502324 555454331 /nfs/dbraw/zinc/45/43/31/555454331.db2.gz PADGUNVWISUOPO-HHHXNRCGSA-N 0 0 487.600 4.931 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013503387 555460977 /nfs/dbraw/zinc/46/09/77/555460977.db2.gz GYOYSINJCNQAPH-AREMUKBSSA-N 0 0 469.637 4.895 40 0 JJABRN COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000013505314 555465994 /nfs/dbraw/zinc/46/59/94/555465994.db2.gz MVVDSXHCYVSYGN-DEOSSOPVSA-N 0 0 495.052 4.665 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(F)c2)o1 ZINC000013505672 555467525 /nfs/dbraw/zinc/46/75/25/555467525.db2.gz VHAVIKGAQMJXAD-VWLOTQADSA-N 0 0 496.539 4.576 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cccc(C)c2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505720 555467793 /nfs/dbraw/zinc/46/77/93/555467793.db2.gz JHBHTQRYWVLNOF-MHZLTWQESA-N 0 0 488.588 4.843 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2C)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505717 555467852 /nfs/dbraw/zinc/46/78/52/555467852.db2.gz SLCBIJHMFKCDMP-HHHXNRCGSA-N 0 0 488.588 4.843 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2)o1 ZINC000013506016 555469350 /nfs/dbraw/zinc/46/93/50/555469350.db2.gz ROCJAJZYJGJBFU-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000013506080 555469589 /nfs/dbraw/zinc/46/95/89/555469589.db2.gz DYHTUPADSQJJHJ-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506128 555469782 /nfs/dbraw/zinc/46/97/82/555469782.db2.gz YXPRYADHKJFLCA-QHCPKHFHSA-N 0 0 481.643 4.681 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013506099 555469786 /nfs/dbraw/zinc/46/97/86/555469786.db2.gz CUGTYZYQECWZQY-XMMPIXPASA-N 0 0 495.670 4.935 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000013506133 555469793 /nfs/dbraw/zinc/46/97/93/555469793.db2.gz ZNDZMTMSSSSDCI-XMMPIXPASA-N 0 0 495.670 4.990 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000013506134 555469845 /nfs/dbraw/zinc/46/98/45/555469845.db2.gz ZNDZMTMSSSSDCI-DEOSSOPVSA-N 0 0 495.670 4.990 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506256 555470548 /nfs/dbraw/zinc/47/05/48/555470548.db2.gz WZPCJTZBDJACIR-DEOSSOPVSA-N 0 0 497.567 4.589 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1 ZINC000013506243 555470606 /nfs/dbraw/zinc/47/06/06/555470606.db2.gz IRRIBXRWKUUILH-AREMUKBSSA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)o1 ZINC000013506394 555471355 /nfs/dbraw/zinc/47/13/55/555471355.db2.gz UDCCBBXFLBLLOZ-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013506499 555471821 /nfs/dbraw/zinc/47/18/21/555471821.db2.gz LIDFSMXURPBKGP-VWLOTQADSA-N 0 0 493.604 4.840 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506469 555471853 /nfs/dbraw/zinc/47/18/53/555471853.db2.gz ZLWJERZJRBXWQZ-DEOSSOPVSA-N 0 0 495.670 4.758 40 0 JJABRN CC(C)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506676 555473124 /nfs/dbraw/zinc/47/31/24/555473124.db2.gz SUVGSEOXYYZIFQ-VWLOTQADSA-N 0 0 477.561 4.559 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506768 555473682 /nfs/dbraw/zinc/47/36/82/555473682.db2.gz GXKHHPYFUGFBSY-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1C ZINC000013506889 555474335 /nfs/dbraw/zinc/47/43/35/555474335.db2.gz ZQNRORNMPGHBRH-HHHXNRCGSA-N 0 0 487.600 4.768 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507481 555476196 /nfs/dbraw/zinc/47/61/96/555476196.db2.gz MJUKVIIQUICBGG-AREMUKBSSA-N 0 0 491.563 4.680 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507464 555476281 /nfs/dbraw/zinc/47/62/81/555476281.db2.gz PGBMUHPJEGENHM-RUZDIDTESA-N 0 0 495.526 4.511 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(Cl)cc2)o1 ZINC000013507508 555476292 /nfs/dbraw/zinc/47/62/92/555476292.db2.gz LYLGAUJVJFYEGZ-XMMPIXPASA-N 0 0 497.979 4.788 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)o1 ZINC000013507536 555476562 /nfs/dbraw/zinc/47/65/62/555476562.db2.gz WANOZAHLBPGKDG-AREMUKBSSA-N 0 0 491.588 4.751 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507896 555477218 /nfs/dbraw/zinc/47/72/18/555477218.db2.gz TYAWRMTVIPGWRF-VWLOTQADSA-N 0 0 493.629 4.598 40 0 JJABRN CCCCN(C(=O)c1cccc(OC)c1OC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000013510102 555482058 /nfs/dbraw/zinc/48/20/58/555482058.db2.gz KKHKFQMFOOVXOI-UHFFFAOYSA-N 0 0 487.578 4.695 40 0 JJABRN Cc1ccccc1C(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000013511901 555483544 /nfs/dbraw/zinc/48/35/44/555483544.db2.gz ZTSYIWBGAWHQRN-UHFFFAOYSA-N 0 0 473.642 4.927 40 0 JJABRN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc(-c2ccccc2F)nc2[nH]cnc21 ZINC000013561668 555494832 /nfs/dbraw/zinc/49/48/32/555494832.db2.gz XKVPMEZSTWWFOL-UHFFFAOYSA-N 0 0 487.564 4.751 40 0 JJABRN COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000013562534 555497084 /nfs/dbraw/zinc/49/70/84/555497084.db2.gz JXGZXVNWNAUIJW-ROUUACIJSA-N 0 0 466.607 4.565 40 0 JJABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013565030 555500632 /nfs/dbraw/zinc/50/06/32/555500632.db2.gz ADJCMHZJFMXAPC-UHFFFAOYSA-N 0 0 477.492 4.546 40 0 JJABRN O=C(CN1CCCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1 ZINC000013564979 555500680 /nfs/dbraw/zinc/50/06/80/555500680.db2.gz HWJKJFIVBQCCLW-UHFFFAOYSA-N 0 0 478.593 4.967 40 0 JJABRN COc1cc(NC(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc(OC)c1 ZINC000013565045 555500894 /nfs/dbraw/zinc/50/08/94/555500894.db2.gz XGPILUWASXYNMM-UHFFFAOYSA-N 0 0 479.508 4.792 40 0 JJABRN Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000013565218 555501236 /nfs/dbraw/zinc/50/12/36/555501236.db2.gz OJSWDOGUONTLMO-FQEVSTJZSA-N 0 0 479.625 4.860 40 0 JJABRN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C ZINC000013566995 555503669 /nfs/dbraw/zinc/50/36/69/555503669.db2.gz YBBMRXFZMSMWOQ-UHFFFAOYSA-N 0 0 486.553 4.859 40 0 JJABRN Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 ZINC000019852976 555511878 /nfs/dbraw/zinc/51/18/78/555511878.db2.gz DMBZEJRCDIZVCH-UHFFFAOYSA-N 0 0 482.201 4.738 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000019856028 555513421 /nfs/dbraw/zinc/51/34/21/555513421.db2.gz KEEAWLQEQDPUJZ-UHFFFAOYSA-N 0 0 486.602 4.814 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(C)(=O)=O)cc1 ZINC000019856232 555514518 /nfs/dbraw/zinc/51/45/18/555514518.db2.gz LCOTUBPEDKSYHB-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000019856266 555514587 /nfs/dbraw/zinc/51/45/87/555514587.db2.gz FGBKCTUAHLHGSA-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019856274 555514744 /nfs/dbraw/zinc/51/47/44/555514744.db2.gz OOABDFSTQAFWNY-UHFFFAOYSA-N 0 0 495.345 4.870 40 0 JJABRN COc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c(OC)c1OC ZINC000009804804 555516603 /nfs/dbraw/zinc/51/66/03/555516603.db2.gz YMDHIDWQAVDBPK-GOSISDBHSA-N 0 0 491.367 4.552 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582713 555520476 /nfs/dbraw/zinc/52/04/76/555520476.db2.gz PKDJUYMTTSJVQF-UHFFFAOYSA-N 0 0 472.588 4.503 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584742 555522582 /nfs/dbraw/zinc/52/25/82/555522582.db2.gz SSYCWELAJBETLL-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000013584738 555522702 /nfs/dbraw/zinc/52/27/02/555522702.db2.gz LJCOCBQJGNDXAH-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868413 555522853 /nfs/dbraw/zinc/52/28/53/555522853.db2.gz UQRWQAGJOWUMTF-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868673 555523021 /nfs/dbraw/zinc/52/30/21/555523021.db2.gz ZFMFZZRBUUOFHT-UHFFFAOYSA-N 0 0 459.370 4.621 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000019868550 555523064 /nfs/dbraw/zinc/52/30/64/555523064.db2.gz HYNYUBCPWIJVHP-UHFFFAOYSA-N 0 0 478.895 4.678 40 0 JJABRN CCN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585252 555523144 /nfs/dbraw/zinc/52/31/44/555523144.db2.gz AQTQXDUHGGXDNR-UHFFFAOYSA-N 0 0 456.608 4.596 40 0 JJABRN O=C(NCCSCc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868789 555523381 /nfs/dbraw/zinc/52/33/81/555523381.db2.gz VBCALRMQIKRDTR-AWEZNQCLSA-N 0 0 493.503 4.505 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585283 555523420 /nfs/dbraw/zinc/52/34/20/555523420.db2.gz PACIVHLLWWAOJW-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 ZINC000013585534 555523923 /nfs/dbraw/zinc/52/39/23/555523923.db2.gz TVNDKMIIDBIGEG-UHFFFAOYSA-N 0 0 478.614 4.782 40 0 JJABRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(-c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000013603371 555530953 /nfs/dbraw/zinc/53/09/53/555530953.db2.gz UGQMGCQEIMOUGG-YCAMKHIRSA-N 0 0 456.542 4.713 40 0 JJABRN CCN(c1ccc2sc(C(=O)NCc3ccco3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609859 555533494 /nfs/dbraw/zinc/53/34/94/555533494.db2.gz MZFKEWIUACGEGU-UHFFFAOYSA-N 0 0 470.572 4.648 40 0 JJABRN Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000013612069 555534378 /nfs/dbraw/zinc/53/43/78/555534378.db2.gz JMJSWFFRBBWFDW-UHFFFAOYSA-N 0 0 454.979 4.741 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013612523 555534815 /nfs/dbraw/zinc/53/48/15/555534815.db2.gz RQFPRKOLVOKLGM-UHFFFAOYSA-N 0 0 488.993 4.971 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)cc1 ZINC000013613799 555535680 /nfs/dbraw/zinc/53/56/80/555535680.db2.gz FPBOYFGHMOLFEC-JOCHJYFZSA-N 0 0 450.560 4.828 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1ccccc1Br ZINC000019927866 555542842 /nfs/dbraw/zinc/54/28/42/555542842.db2.gz VPPRHPVEDWIBOC-UHFFFAOYSA-N 0 0 468.174 4.728 40 0 JJABRN Cc1ccccc1NC(=O)Cn1c2ccc(Br)cc2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000013634512 555543848 /nfs/dbraw/zinc/54/38/48/555543848.db2.gz SHTPICWKWQGLEQ-UHFFFAOYSA-N 0 0 498.764 4.515 40 0 JJABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000013634939 555544281 /nfs/dbraw/zinc/54/42/81/555544281.db2.gz XEWFXBTWXIBYSR-QFIPXVFZSA-N 0 0 451.523 4.694 40 0 JJABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000013634936 555544345 /nfs/dbraw/zinc/54/43/45/555544345.db2.gz XEWFXBTWXIBYSR-JOCHJYFZSA-N 0 0 451.523 4.694 40 0 JJABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2cc(OC)cc(OC)c2OC)C1C(=O)OCC ZINC000013634942 555544377 /nfs/dbraw/zinc/54/43/77/555544377.db2.gz XJWBEQPSHQSCDS-JOCHJYFZSA-N 0 0 451.523 4.694 40 0 JJABRN Cc1nn2c(nnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)c1-c1cccc2ccccc21 ZINC000013635721 555545028 /nfs/dbraw/zinc/54/50/28/555545028.db2.gz FZXKKQAMKWPTHM-UHFFFAOYSA-N 0 0 476.584 4.519 40 0 JJABRN CCCNC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1cc(Br)ccc1N(CCC)C2=O ZINC000013635535 555545131 /nfs/dbraw/zinc/54/51/31/555545131.db2.gz VMKLEHSXVZUCJN-VWLOTQADSA-N 0 0 495.421 4.908 40 0 JJABRN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1OC ZINC000019929167 555545914 /nfs/dbraw/zinc/54/59/14/555545914.db2.gz SINSRAMZWQYSEP-UHFFFAOYSA-N 0 0 454.335 4.715 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000019930810 555547642 /nfs/dbraw/zinc/54/76/42/555547642.db2.gz QPWGFHLIKRTUGC-UHFFFAOYSA-N 0 0 480.430 4.736 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000019931714 555549080 /nfs/dbraw/zinc/54/90/80/555549080.db2.gz XDTUIQOWXBSSBV-UHFFFAOYSA-N 0 0 455.407 4.830 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(C)c1 ZINC000019931594 555549248 /nfs/dbraw/zinc/54/92/48/555549248.db2.gz YHAGDAREUZHCGJ-LJQANCHMSA-N 0 0 454.567 4.900 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000019932935 555550266 /nfs/dbraw/zinc/55/02/66/555550266.db2.gz SWQRZGTVEUGYSC-FQEVSTJZSA-N 0 0 466.603 4.851 40 0 JJABRN CCOc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000019932910 555550288 /nfs/dbraw/zinc/55/02/88/555550288.db2.gz NPWFDHIPKXCCPF-UHFFFAOYSA-N 0 0 476.664 4.794 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019933702 555550980 /nfs/dbraw/zinc/55/09/80/555550980.db2.gz RABJSJWOXLWVTH-KRWDZBQOSA-N 0 0 490.984 4.869 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013646820 555551174 /nfs/dbraw/zinc/55/11/74/555551174.db2.gz GOTCEJDMXIBTSP-GOSISDBHSA-N 0 0 485.005 4.912 40 0 JJABRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000013646965 555551373 /nfs/dbraw/zinc/55/13/73/555551373.db2.gz NWDFRIWFXFVKQZ-UHFFFAOYSA-N 0 0 485.403 4.624 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000013647887 555552418 /nfs/dbraw/zinc/55/24/18/555552418.db2.gz AYLSQYZWEWFAHO-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccccc1Oc1ccccc1 ZINC000019935473 555552940 /nfs/dbraw/zinc/55/29/40/555552940.db2.gz ADEJTVOVEOYHBR-UHFFFAOYSA-N 0 0 486.977 4.934 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935881 555553179 /nfs/dbraw/zinc/55/31/79/555553179.db2.gz CPBIIFGXQPYZGV-XMMPIXPASA-N 0 0 452.576 4.703 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019937860 555554615 /nfs/dbraw/zinc/55/46/15/555554615.db2.gz PUGVAKOFDLLBMC-UHFFFAOYSA-N 0 0 452.576 4.654 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000019937983 555555149 /nfs/dbraw/zinc/55/51/49/555555149.db2.gz OLQWMEQPKCOIJY-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013668366 555557174 /nfs/dbraw/zinc/55/71/74/555557174.db2.gz KZZPTVPZVJTSRE-UHFFFAOYSA-N 0 0 461.370 4.778 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000013668179 555557190 /nfs/dbraw/zinc/55/71/90/555557190.db2.gz KIAVWWHKZVASEL-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013669278 555559018 /nfs/dbraw/zinc/55/90/18/555559018.db2.gz HBWJQWGPFQLHSS-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000013669960 555560295 /nfs/dbraw/zinc/56/02/95/555560295.db2.gz SEWRNWBOOHQQMR-UHFFFAOYSA-N 0 0 484.593 4.553 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000013670152 555560493 /nfs/dbraw/zinc/56/04/93/555560493.db2.gz NCDNESQIXNRWNX-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000013670385 555561184 /nfs/dbraw/zinc/56/11/84/555561184.db2.gz VLTKEMLYUUZHRM-UHFFFAOYSA-N 0 0 461.370 4.778 40 0 JJABRN Cc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013670805 555561731 /nfs/dbraw/zinc/56/17/31/555561731.db2.gz YNNWUNPDLYCFCI-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000013670794 555561814 /nfs/dbraw/zinc/56/18/14/555561814.db2.gz CXMIATWXARKDGE-QGZVFWFLSA-N 0 0 485.403 4.622 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013671027 555562472 /nfs/dbraw/zinc/56/24/72/555562472.db2.gz KNGGNPPZFQKJIZ-UHFFFAOYSA-N 0 0 490.597 4.518 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947069 555563408 /nfs/dbraw/zinc/56/34/08/555563408.db2.gz KXAHZWYDTHFCFG-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019946602 555563436 /nfs/dbraw/zinc/56/34/36/555563436.db2.gz UCWIKNUNCUWCGH-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019947384 555563799 /nfs/dbraw/zinc/56/37/99/555563799.db2.gz FSFYORCWEYDDEJ-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cccc(Br)c2)cc1 ZINC000013672745 555564312 /nfs/dbraw/zinc/56/43/12/555564312.db2.gz DOCAJJQUNTUITK-UHFFFAOYSA-N 0 0 485.403 4.542 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013673847 555565210 /nfs/dbraw/zinc/56/52/10/555565210.db2.gz IKMVZIFTLZRBLU-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013677312 555567952 /nfs/dbraw/zinc/56/79/52/555567952.db2.gz ARNVAJXZOOCDFK-UHFFFAOYSA-N 0 0 493.522 4.717 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000013677855 555568914 /nfs/dbraw/zinc/56/89/14/555568914.db2.gz KVIVRYLLCJRGSP-UHFFFAOYSA-N 0 0 481.064 4.890 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013677969 555569274 /nfs/dbraw/zinc/56/92/74/555569274.db2.gz MACDOUSIGXGLST-AWEZNQCLSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013679399 555571003 /nfs/dbraw/zinc/57/10/03/555571003.db2.gz WWFYPZOGJDTWNA-QFIPXVFZSA-N 0 0 456.951 4.552 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679339 555571061 /nfs/dbraw/zinc/57/10/61/555571061.db2.gz CDQWAEZUBVQSAD-ZDUSSCGKSA-N 0 0 461.798 4.827 40 0 JJABRN CSc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013680080 555572294 /nfs/dbraw/zinc/57/22/94/555572294.db2.gz PWWCFJIBOMGBNV-NRFANRHFSA-N 0 0 474.991 4.657 40 0 JJABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680234 555572543 /nfs/dbraw/zinc/57/25/43/555572543.db2.gz KIHIALUBDHOSFR-HNNXBMFYSA-N 0 0 471.406 4.573 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680476 555572973 /nfs/dbraw/zinc/57/29/73/555572973.db2.gz RONJISJPLRPLFT-HKUYNNGSSA-N 0 0 483.461 4.673 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680860 555573558 /nfs/dbraw/zinc/57/35/58/555573558.db2.gz JBFAYNHBSHMPLT-HXUWFJFHSA-N 0 0 477.369 4.730 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013681048 555573831 /nfs/dbraw/zinc/57/38/31/555573831.db2.gz YEWLVCSGTNIUHK-UHFFFAOYSA-N 0 0 460.646 4.545 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013681745 555574982 /nfs/dbraw/zinc/57/49/82/555574982.db2.gz UNLJFRBRCHLKHD-CYBMUJFWSA-N 0 0 461.798 4.827 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000013682272 555575614 /nfs/dbraw/zinc/57/56/14/555575614.db2.gz VTOZPBHOPWKOCB-UHFFFAOYSA-N 0 0 451.367 4.588 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000009973888 555575840 /nfs/dbraw/zinc/57/58/40/555575840.db2.gz NEICQMVKIPHYRT-QGZVFWFLSA-N 0 0 465.413 4.612 40 0 JJABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000013683350 555577290 /nfs/dbraw/zinc/57/72/90/555577290.db2.gz FLLCWKPVZMDZJP-CYBMUJFWSA-N 0 0 491.824 4.836 40 0 JJABRN C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1)c1ccccc1 ZINC000013683609 555577555 /nfs/dbraw/zinc/57/75/55/555577555.db2.gz STJYYWWGNOXOPX-INIZCTEOSA-N 0 0 453.336 4.958 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(Br)c1 ZINC000013683840 555577904 /nfs/dbraw/zinc/57/79/04/555577904.db2.gz MTXODEWQZIJOJC-UHFFFAOYSA-N 0 0 457.324 4.552 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004682 555578328 /nfs/dbraw/zinc/57/83/28/555578328.db2.gz FHHVFQPUFVWVNZ-JOCHJYFZSA-N 0 0 487.021 4.802 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974422 555578842 /nfs/dbraw/zinc/57/88/42/555578842.db2.gz RFICXMXAPYLYDS-ZDUSSCGKSA-N 0 0 491.329 4.507 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl ZINC000009974651 555579624 /nfs/dbraw/zinc/57/96/24/555579624.db2.gz NVPHWHCKOFMAET-QGZVFWFLSA-N 0 0 450.988 4.511 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686170 555579746 /nfs/dbraw/zinc/57/97/46/555579746.db2.gz JQXRZDIONKHCIG-CPJSRVTESA-N 0 0 493.629 4.669 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000009974676 555579853 /nfs/dbraw/zinc/57/98/53/555579853.db2.gz HQJRAESZEBTVOW-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1Cl ZINC000009974677 555579880 /nfs/dbraw/zinc/57/98/80/555579880.db2.gz ZDDAABWTAHGKSU-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686453 555580031 /nfs/dbraw/zinc/58/00/31/555580031.db2.gz FLFORJSHFQBEPT-UUOWRZLLSA-N 0 0 497.592 4.500 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000020007040 555581659 /nfs/dbraw/zinc/58/16/59/555581659.db2.gz WWJOVJHCIMVDDJ-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020007320 555581957 /nfs/dbraw/zinc/58/19/57/555581957.db2.gz VUUHBXZNFGXSMR-QHCPKHFHSA-N 0 0 480.630 4.657 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007887 555582526 /nfs/dbraw/zinc/58/25/26/555582526.db2.gz RSZRWYBHFNMKQU-IBGZPJMESA-N 0 0 467.349 4.661 40 0 JJABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008411 555583118 /nfs/dbraw/zinc/58/31/18/555583118.db2.gz PVGODXIENAGVGX-FQEVSTJZSA-N 0 0 484.446 4.512 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1C ZINC000020008724 555583380 /nfs/dbraw/zinc/58/33/80/555583380.db2.gz CSVZXFOCSBGHSP-VWLOTQADSA-N 0 0 474.582 4.685 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000020008718 555583383 /nfs/dbraw/zinc/58/33/83/555583383.db2.gz CUDFOCDCWBKZLY-DEOSSOPVSA-N 0 0 466.603 4.655 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000020009099 555584212 /nfs/dbraw/zinc/58/42/12/555584212.db2.gz FFPIDBMHPZPXEI-DEOSSOPVSA-N 0 0 480.630 4.964 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000020009628 555585310 /nfs/dbraw/zinc/58/53/10/555585310.db2.gz ODPCNVYPYNVEFG-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C ZINC000020009631 555585329 /nfs/dbraw/zinc/58/53/29/555585329.db2.gz UXTBRZLJDUUJEL-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010352 555586233 /nfs/dbraw/zinc/58/62/33/555586233.db2.gz FCKGQWXJQDXYBD-FQEVSTJZSA-N 0 0 468.644 4.785 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 ZINC000020010115 555586241 /nfs/dbraw/zinc/58/62/41/555586241.db2.gz GSKLUXUCEYBFRP-GOSISDBHSA-N 0 0 487.419 4.517 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccc(Cl)cc2)cc1 ZINC000020010625 555586430 /nfs/dbraw/zinc/58/64/30/555586430.db2.gz RVLHELCVUDLCLB-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000020010692 555586692 /nfs/dbraw/zinc/58/66/92/555586692.db2.gz VEIYCIIOAZALPN-DEOSSOPVSA-N 0 0 469.006 4.725 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020011515 555587516 /nfs/dbraw/zinc/58/75/16/555587516.db2.gz GVHQAYSYVYNEFB-UHFFFAOYSA-N 0 0 462.493 4.550 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2cc(F)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011761 555587842 /nfs/dbraw/zinc/58/78/42/555587842.db2.gz HKXXGHDTPQUSTF-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN CN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011965 555588066 /nfs/dbraw/zinc/58/80/66/555588066.db2.gz KRFRWRPMJSIJBW-UHFFFAOYSA-N 0 0 474.810 4.637 40 0 JJABRN Cc1cccc(CN(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020011875 555588091 /nfs/dbraw/zinc/58/80/91/555588091.db2.gz GFACFUCDFHOYRE-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1cccc(CN(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020011869 555588131 /nfs/dbraw/zinc/58/81/31/555588131.db2.gz MZDHGDDNLQGZFW-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000020012250 555588432 /nfs/dbraw/zinc/58/84/32/555588432.db2.gz DDADNBSRXQGUMM-QGZVFWFLSA-N 0 0 460.958 4.547 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2Cl)cc1 ZINC000020012577 555588790 /nfs/dbraw/zinc/58/87/90/555588790.db2.gz ZBMVKOJPNFAWJH-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccccc2Cl)cc1 ZINC000020012580 555588803 /nfs/dbraw/zinc/58/88/03/555588803.db2.gz HATGNFLKXHQYIQ-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012683 555588864 /nfs/dbraw/zinc/58/88/64/555588864.db2.gz YARDIKLXSXWRIW-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013393 555589366 /nfs/dbraw/zinc/58/93/66/555589366.db2.gz PTLYEMQXGPJKFU-HSZRJFAPSA-N 0 0 494.657 4.997 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712152 555589438 /nfs/dbraw/zinc/58/94/38/555589438.db2.gz SZIFJGHFKHZZBH-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)C2CCCCC2)c(C)c1 ZINC000020013503 555589680 /nfs/dbraw/zinc/58/96/80/555589680.db2.gz KIFICQRAKDYMJE-UHFFFAOYSA-N 0 0 450.551 4.852 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(SC)cc2)Cc2ccccc2)cc1C ZINC000020013834 555589920 /nfs/dbraw/zinc/58/99/20/555589920.db2.gz WISKQMRYKXGNDL-FQEVSTJZSA-N 0 0 498.670 4.794 40 0 JJABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013712533 555589930 /nfs/dbraw/zinc/58/99/30/555589930.db2.gz JLGMBIJXRRYBDO-QGZVFWFLSA-N 0 0 499.054 4.640 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020013918 555590042 /nfs/dbraw/zinc/59/00/42/555590042.db2.gz KBUIDSAZKSUXQK-UHFFFAOYSA-N 0 0 498.445 4.772 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2OC)C2CCCCC2)cc1Cl 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COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl ZINC000020152934 555671056 /nfs/dbraw/zinc/67/10/56/555671056.db2.gz ZNSCHRMMRAAIEC-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1Cl ZINC000020153022 555671282 /nfs/dbraw/zinc/67/12/82/555671282.db2.gz ALOHDXUDXIKQKO-UHFFFAOYSA-N 0 0 460.939 4.626 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300651 555677513 /nfs/dbraw/zinc/67/75/13/555677513.db2.gz ZKHXVKAYWWNIQU-UHFFFAOYSA-N 0 0 482.602 4.717 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)Cc2ccccc2)cc1C ZINC000010301574 555678127 /nfs/dbraw/zinc/67/81/27/555678127.db2.gz WOZJBBCFQYEEKO-UHFFFAOYSA-N 0 0 474.529 4.502 40 0 JJABRN CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000010313959 555679238 /nfs/dbraw/zinc/67/92/38/555679238.db2.gz GWWLMEXFYMZDGD-UHFFFAOYSA-N 0 0 460.574 4.810 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010314620 555680623 /nfs/dbraw/zinc/68/06/23/555680623.db2.gz PCIRDDLOJZJEPI-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)ccc1Cl ZINC000010315312 555681871 /nfs/dbraw/zinc/68/18/71/555681871.db2.gz UTGYBOLSELWSSH-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010325418 555683966 /nfs/dbraw/zinc/68/39/66/555683966.db2.gz SMHLGGJRXCQLHI-FQEVSTJZSA-N 0 0 493.629 4.742 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1Cl ZINC000010325859 555684588 /nfs/dbraw/zinc/68/45/88/555684588.db2.gz XNNJJIDANDUBIS-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1Cl ZINC000010325856 555684593 /nfs/dbraw/zinc/68/45/93/555684593.db2.gz XNNJJIDANDUBIS-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326917 555685415 /nfs/dbraw/zinc/68/54/15/555685415.db2.gz VTCDBBGOFDGEJV-GOSISDBHSA-N 0 0 450.560 4.786 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3C[C@@H]2C)cc1 ZINC000010327177 555685962 /nfs/dbraw/zinc/68/59/62/555685962.db2.gz COORKVKMWISSRS-SFTDATJTSA-N 0 0 462.615 4.886 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010328230 555686602 /nfs/dbraw/zinc/68/66/02/555686602.db2.gz SORIQLJJOTYVSZ-UHFFFAOYSA-N 0 0 454.617 4.935 40 0 JJABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000010330142 555687048 /nfs/dbraw/zinc/68/70/48/555687048.db2.gz KQKDORFPYGKDIP-UHFFFAOYSA-N 0 0 477.413 4.932 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1)c1cccc(Cl)c1 ZINC000010332298 555688371 /nfs/dbraw/zinc/68/83/71/555688371.db2.gz KVUUZPYEKQPXPS-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000010334836 555690044 /nfs/dbraw/zinc/69/00/44/555690044.db2.gz PTLNEHGLAMFSKP-UHFFFAOYSA-N 0 0 473.392 4.976 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010335119 555690109 /nfs/dbraw/zinc/69/01/09/555690109.db2.gz GLOWXKAZRQHWTR-HNNXBMFYSA-N 0 0 475.463 4.506 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000010336342 555691289 /nfs/dbraw/zinc/69/12/89/555691289.db2.gz FPDFHFDZKRIERS-QGZVFWFLSA-N 0 0 492.041 4.504 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000010336336 555691292 /nfs/dbraw/zinc/69/12/92/555691292.db2.gz FPDFHFDZKRIERS-KRWDZBQOSA-N 0 0 492.041 4.504 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010339170 555693536 /nfs/dbraw/zinc/69/35/36/555693536.db2.gz GYFYTHSJJIJZEF-CYBMUJFWSA-N 0 0 459.793 4.513 40 0 JJABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(I)c3)o2)cc1 ZINC000020197157 555696433 /nfs/dbraw/zinc/69/64/33/555696433.db2.gz FXEPMKOQLARJAB-UHFFFAOYSA-N 0 0 479.343 4.558 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010361927 555697005 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40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014135451 555703383 /nfs/dbraw/zinc/70/33/83/555703383.db2.gz CHFAANYOYYWDQG-UHFFFAOYSA-N 0 0 464.631 4.992 40 0 JJABRN CCOC(=O)c1sc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C(=O)Nc2ccccc2)c1C ZINC000014137361 555704543 /nfs/dbraw/zinc/70/45/43/555704543.db2.gz ZQMWLEOHPGFWKB-UHFFFAOYSA-N 0 0 489.553 4.891 40 0 JJABRN CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000014152740 555708424 /nfs/dbraw/zinc/70/84/24/555708424.db2.gz ILFHQNKPPPTMSN-UHFFFAOYSA-N 0 0 495.388 4.701 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000010433926 555708536 /nfs/dbraw/zinc/70/85/36/555708536.db2.gz KYTVFAQVDQCLCM-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000010434153 555708864 /nfs/dbraw/zinc/70/88/64/555708864.db2.gz ACGNOISPUZJKHL-UHFFFAOYSA-N 0 0 464.631 4.979 40 0 JJABRN CC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000014153497 555709777 /nfs/dbraw/zinc/70/97/77/555709777.db2.gz FIRHSBDNAPONFS-UHFFFAOYSA-N 0 0 456.951 4.685 40 0 JJABRN CC(C)CCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000014154165 555710903 /nfs/dbraw/zinc/71/09/03/555710903.db2.gz XOLFKPGRIHTQLT-UHFFFAOYSA-N 0 0 452.576 4.837 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000010441321 555711079 /nfs/dbraw/zinc/71/10/79/555711079.db2.gz SWJUSBMYIBIFLE-UHFFFAOYSA-N 0 0 472.950 4.594 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000014154316 555711191 /nfs/dbraw/zinc/71/11/91/555711191.db2.gz DJGFRTLYFRZDCV-UHFFFAOYSA-N 0 0 499.844 4.602 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010441690 555711327 /nfs/dbraw/zinc/71/13/27/555711327.db2.gz FAVVRCIIXFSUSD-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000010445840 555712927 /nfs/dbraw/zinc/71/29/27/555712927.db2.gz RPWAIBJMHXWUDP-UHFFFAOYSA-N 0 0 498.626 4.971 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000010445793 555712989 /nfs/dbraw/zinc/71/29/89/555712989.db2.gz YZXNGXXAZBJJAJ-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000014155090 555713088 /nfs/dbraw/zinc/71/30/88/555713088.db2.gz WLJIODXQADETGJ-UHFFFAOYSA-N 0 0 479.385 4.514 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446580 555713259 /nfs/dbraw/zinc/71/32/59/555713259.db2.gz KDOMEMLFKGDCBI-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446465 555713274 /nfs/dbraw/zinc/71/32/74/555713274.db2.gz LTYCJTRVUZCXNB-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446450 555713321 /nfs/dbraw/zinc/71/33/21/555713321.db2.gz QNAJIKNZXFVUIH-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446919 555713604 /nfs/dbraw/zinc/71/36/04/555713604.db2.gz TUHWOONBNSBUAS-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000010447236 555713623 /nfs/dbraw/zinc/71/36/23/555713623.db2.gz QKFACLVUNVEUKQ-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN C[C@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155761 555714269 /nfs/dbraw/zinc/71/42/69/555714269.db2.gz WURSYJGKTJDYKB-CYBMUJFWSA-N 0 0 495.881 4.851 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000010448588 555714538 /nfs/dbraw/zinc/71/45/38/555714538.db2.gz XJGDWEKPLFGHOB-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(C)cc2)cc1 ZINC000010449562 555715662 /nfs/dbraw/zinc/71/56/62/555715662.db2.gz OETJNOKLXKVFFJ-UHFFFAOYSA-N 0 0 466.628 4.892 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010449902 555716396 /nfs/dbraw/zinc/71/63/96/555716396.db2.gz AHEOJBLUDCVKGA-MRXNPFEDSA-N 0 0 458.942 4.652 40 0 JJABRN COC(=O)c1ccc(C(=O)Nc2nc3c(cc(Br)cc3Br)s2)cc1 ZINC000020220790 555717406 /nfs/dbraw/zinc/71/74/06/555717406.db2.gz OUHKKUKQZUSSAB-UHFFFAOYSA-N 0 0 470.142 4.860 40 0 JJABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(I)c1 ZINC000010475554 555719147 /nfs/dbraw/zinc/71/91/47/555719147.db2.gz MUQRYARTGPIIEJ-UHFFFAOYSA-N 0 0 471.707 4.725 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000010489529 555720548 /nfs/dbraw/zinc/72/05/48/555720548.db2.gz HQILVXJRRGMEPB-UHFFFAOYSA-N 0 0 465.761 4.825 40 0 JJABRN C[C@H]1CCCN(C(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)C1 ZINC000010541707 555724863 /nfs/dbraw/zinc/72/48/63/555724863.db2.gz IQAIPLPQRDIIPR-HNNXBMFYSA-N 0 0 455.407 4.832 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020234093 555725562 /nfs/dbraw/zinc/72/55/62/555725562.db2.gz BYTRFQOAZKYLFN-UHFFFAOYSA-N 0 0 462.493 4.526 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000020234366 555726225 /nfs/dbraw/zinc/72/62/25/555726225.db2.gz UVIUVRDZINZJBI-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2ccc(C)cc2C)cc1 ZINC000020234969 555727126 /nfs/dbraw/zinc/72/71/26/555727126.db2.gz ILNAATPRGOCVDT-UHFFFAOYSA-N 0 0 468.644 4.716 40 0 JJABRN O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692609 555733534 /nfs/dbraw/zinc/73/35/34/555733534.db2.gz PXJHCEDCWJJXHL-UHFFFAOYSA-N 0 0 493.522 4.717 40 0 JJABRN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693732 555733997 /nfs/dbraw/zinc/73/39/97/555733997.db2.gz SOIVUSDMLGAVMX-UHFFFAOYSA-N 0 0 461.455 4.764 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000020239615 555734006 /nfs/dbraw/zinc/73/40/06/555734006.db2.gz YRPZMIZSPPTBIC-UHFFFAOYSA-N 0 0 475.035 4.828 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020244295 555740435 /nfs/dbraw/zinc/74/04/35/555740435.db2.gz SRVNPRRDRBSKNM-GDLZYMKVSA-N 0 0 499.636 4.992 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)c3C)nn12 ZINC000014269277 555758615 /nfs/dbraw/zinc/75/86/15/555758615.db2.gz PYACSCIVDZSCFV-UHFFFAOYSA-N 0 0 464.620 4.894 40 0 JJABRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(CC)cc4)cc3n2)cc1 ZINC000014269880 555760727 /nfs/dbraw/zinc/76/07/27/555760727.db2.gz BKNHMMXRTDHOAE-UHFFFAOYSA-N 0 0 459.575 4.817 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000014271028 555764697 /nfs/dbraw/zinc/76/46/97/555764697.db2.gz OOMAXNBIRONNJM-UHFFFAOYSA-N 0 0 469.106 4.864 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1-c1cc2ccccc2oc1=O ZINC000014271388 555765978 /nfs/dbraw/zinc/76/59/78/555765978.db2.gz WFCPDIYRFQAAGS-UHFFFAOYSA-N 0 0 472.522 4.666 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 ZINC000014271656 555767202 /nfs/dbraw/zinc/76/72/02/555767202.db2.gz WAZBTFNAIIHGTK-UHFFFAOYSA-N 0 0 473.042 4.532 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000014271788 555767600 /nfs/dbraw/zinc/76/76/00/555767600.db2.gz UCGDLKPZGQNECG-UHFFFAOYSA-N 0 0 462.594 4.583 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Br ZINC000014271888 555767984 /nfs/dbraw/zinc/76/79/84/555767984.db2.gz KEDZBWLFIVIAHM-CQSZACIVSA-N 0 0 462.413 4.963 40 0 JJABRN O=C(Nc1ccc(I)cn1)c1cccc2c(Br)cccc12 ZINC000014272412 555769704 /nfs/dbraw/zinc/76/97/04/555769704.db2.gz CFJWXNGQESYHPN-UHFFFAOYSA-N 0 0 453.077 4.854 40 0 JJABRN COC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 ZINC000014272916 555771657 /nfs/dbraw/zinc/77/16/57/555771657.db2.gz ZVDKKPIZFZVLGL-VMPITWQZSA-N 0 0 469.129 4.659 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000020323739 555772038 /nfs/dbraw/zinc/77/20/38/555772038.db2.gz HBNHFBYXWDHFLS-IBGZPJMESA-N 0 0 468.575 4.909 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 ZINC000014273934 555775118 /nfs/dbraw/zinc/77/51/18/555775118.db2.gz PGMWBZISODQELG-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000014274459 555776676 /nfs/dbraw/zinc/77/66/76/555776676.db2.gz QVPMFEZKDKQCFP-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000020338773 555777627 /nfs/dbraw/zinc/77/76/27/555777627.db2.gz WJAAWQNJGFTJGP-IBGZPJMESA-N 0 0 468.575 4.909 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)c(F)c1F ZINC000014274899 555778690 /nfs/dbraw/zinc/77/86/90/555778690.db2.gz RMBVALUPXRTQMW-UHFFFAOYSA-N 0 0 477.439 4.631 40 0 JJABRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccccc1I ZINC000014275998 555782526 /nfs/dbraw/zinc/78/25/26/555782526.db2.gz GVLPQSQAMOLPRU-UHFFFAOYSA-N 0 0 495.567 4.834 40 0 JJABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 ZINC000014276627 555784198 /nfs/dbraw/zinc/78/41/98/555784198.db2.gz NKNGEUOVEBQJJY-UHFFFAOYSA-N 0 0 486.641 4.899 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2ccccc2c1 ZINC000014276631 555784219 /nfs/dbraw/zinc/78/42/19/555784219.db2.gz NLIYAEYMWFJGQM-UHFFFAOYSA-N 0 0 494.620 4.929 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000014277125 555785137 /nfs/dbraw/zinc/78/51/37/555785137.db2.gz HPYSTSSPTHWRJM-UHFFFAOYSA-N 0 0 492.620 4.673 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2Cl)CC1 ZINC000014277272 555785720 /nfs/dbraw/zinc/78/57/20/555785720.db2.gz BBKKYNKDYVHOJC-UHFFFAOYSA-N 0 0 475.058 4.644 40 0 JJABRN O=C(Nc1nc2ccc(NC(=O)c3ccccc3I)cc2s1)c1ccco1 ZINC000020410990 555788103 /nfs/dbraw/zinc/78/81/03/555788103.db2.gz WEVYMOTXWJTRRC-UHFFFAOYSA-N 0 0 489.294 4.999 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 ZINC000020411141 555788455 /nfs/dbraw/zinc/78/84/55/555788455.db2.gz ZFXRMEZILXJFSV-UHFFFAOYSA-N 0 0 466.544 4.667 40 0 JJABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000011609222 555789469 /nfs/dbraw/zinc/78/94/69/555789469.db2.gz ZXQVFRMWFDLWHO-OAHLLOKOSA-N 0 0 460.939 4.555 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 ZINC000020412071 555789798 /nfs/dbraw/zinc/78/97/98/555789798.db2.gz GSYJPKPMCHRCLD-UHFFFAOYSA-N 0 0 493.541 4.656 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000020412507 555790409 /nfs/dbraw/zinc/79/04/09/555790409.db2.gz PJNAYFVUYLLJOA-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000020412621 555790690 /nfs/dbraw/zinc/79/06/90/555790690.db2.gz DFXPESLWOVQJAZ-UHFFFAOYSA-N 0 0 493.460 4.733 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC000020412610 555790777 /nfs/dbraw/zinc/79/07/77/555790777.db2.gz NTCZZJYYCUAUGK-UHFFFAOYSA-N 0 0 478.420 4.932 40 0 JJABRN CC(=O)N1CCN(c2ccc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)cc2)CC1 ZINC000014279318 555791089 /nfs/dbraw/zinc/79/10/89/555791089.db2.gz VCAGAXDRQYKLNJ-UHFFFAOYSA-N 0 0 484.811 4.950 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2Cl)CC1 ZINC000020528390 555792332 /nfs/dbraw/zinc/79/23/32/555792332.db2.gz MAJKGIWRJKFXMA-UHFFFAOYSA-N 0 0 468.779 4.643 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000014291168 555792551 /nfs/dbraw/zinc/79/25/51/555792551.db2.gz MBKWCSNLFVWDAD-UHFFFAOYSA-N 0 0 458.002 4.786 40 0 JJABRN Cc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)ccc1Cl ZINC000014291177 555792561 /nfs/dbraw/zinc/79/25/61/555792561.db2.gz PEDSGTVPANPEBH-UHFFFAOYSA-N 0 0 464.393 4.624 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccccc3)CC2)cc1 ZINC000014291241 555792804 /nfs/dbraw/zinc/79/28/04/555792804.db2.gz GWPYTDZVIJYYEN-UHFFFAOYSA-N 0 0 463.965 4.628 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000014291251 555792808 /nfs/dbraw/zinc/79/28/08/555792808.db2.gz PAQDMBIOKVDBPO-UHFFFAOYSA-N 0 0 491.975 4.634 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000014291253 555792836 /nfs/dbraw/zinc/79/28/36/555792836.db2.gz PHTHLZKMVVGVIB-UHFFFAOYSA-N 0 0 477.948 4.592 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC000014291235 555792850 /nfs/dbraw/zinc/79/28/50/555792850.db2.gz HXHOYRMVIDRACC-UHFFFAOYSA-N 0 0 493.991 4.880 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1 ZINC000014291851 555793500 /nfs/dbraw/zinc/79/35/00/555793500.db2.gz SDWUNSXXPBMONV-UHFFFAOYSA-N 0 0 476.904 4.794 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2Cl)CC1 ZINC000020528919 555793534 /nfs/dbraw/zinc/79/35/34/555793534.db2.gz BTDSIMVGNFUKPH-UHFFFAOYSA-N 0 0 464.393 4.706 40 0 JJABRN O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(CCCc2ccccc2)cc1)c1cccs1 ZINC000011691950 555800999 /nfs/dbraw/zinc/80/09/99/555800999.db2.gz PGBRJOXKIWMBFY-UHFFFAOYSA-N 0 0 487.630 4.944 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000014388169 555801631 /nfs/dbraw/zinc/80/16/31/555801631.db2.gz HOQDLWFHSCMOPF-CYBMUJFWSA-N 0 0 475.825 4.925 40 0 JJABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000014396215 555801834 /nfs/dbraw/zinc/80/18/34/555801834.db2.gz DHGVWTHRHJFMIL-INIZCTEOSA-N 0 0 489.391 4.964 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014396141 555801965 /nfs/dbraw/zinc/80/19/65/555801965.db2.gz QFQLVFQSVJINEJ-UHFFFAOYSA-N 0 0 457.379 4.675 40 0 JJABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000014396446 555802231 /nfs/dbraw/zinc/80/22/31/555802231.db2.gz XTBRPCYOYNTXKO-UHFFFAOYSA-N 0 0 498.626 4.545 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014397285 555802972 /nfs/dbraw/zinc/80/29/72/555802972.db2.gz KMDXCOZCQASLLG-UHFFFAOYSA-N 0 0 468.575 4.911 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000014398344 555804146 /nfs/dbraw/zinc/80/41/46/555804146.db2.gz DNMAVSQKUCAMOK-DEOSSOPVSA-N 0 0 468.575 4.909 40 0 JJABRN O=C(c1cccnc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000020533257 555804572 /nfs/dbraw/zinc/80/45/72/555804572.db2.gz MXYHLTNFNXEKMO-VRIJDZSUSA-N 0 0 479.964 4.693 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000014399205 555804916 /nfs/dbraw/zinc/80/49/16/555804916.db2.gz ASERLXIWHDWGOC-HSZRJFAPSA-N 0 0 468.575 4.909 40 0 JJABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000014400433 555805779 /nfs/dbraw/zinc/80/57/79/555805779.db2.gz VCUKHAVCPDJJAJ-INIZCTEOSA-N 0 0 474.966 4.864 40 0 JJABRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1C ZINC000014405264 555807630 /nfs/dbraw/zinc/80/76/30/555807630.db2.gz JNJGCSMKSHEFIR-UHFFFAOYSA-N 0 0 480.565 4.830 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2c(F)cccc2F)cc1 ZINC000014412206 555811199 /nfs/dbraw/zinc/81/11/99/555811199.db2.gz ZUDGQYDUSGQVBC-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2cccc(Cl)c2)cc1 ZINC000014412496 555811699 /nfs/dbraw/zinc/81/16/99/555811699.db2.gz GDBHDSWBAJAKFY-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(Cl)cc2)cc1 ZINC000014413382 555812623 /nfs/dbraw/zinc/81/26/23/555812623.db2.gz CRBBJROSMQOZAM-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1C ZINC000014413644 555812932 /nfs/dbraw/zinc/81/29/32/555812932.db2.gz RKOGSLMMISDSFP-UHFFFAOYSA-N 0 0 498.626 4.646 40 0 JJABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414686 555813578 /nfs/dbraw/zinc/81/35/78/555813578.db2.gz PGRYXIUTBRYPSY-IBGZPJMESA-N 0 0 451.032 4.761 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1Cl ZINC000014428760 555814157 /nfs/dbraw/zinc/81/41/57/555814157.db2.gz BFRBJLUTBQWALT-UHFFFAOYSA-N 0 0 461.798 4.995 40 0 JJABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000020572808 555824573 /nfs/dbraw/zinc/82/45/73/555824573.db2.gz MQYJJAUXYUCCOC-UHFFFAOYSA-N 0 0 472.519 4.750 40 0 JJABRN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000014577046 555835342 /nfs/dbraw/zinc/83/53/42/555835342.db2.gz XKKZVNNTOFKGHX-VWLOTQADSA-N 0 0 483.033 4.955 40 0 JJABRN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000020595593 555839042 /nfs/dbraw/zinc/83/90/42/555839042.db2.gz IZASUPSRZRMGJL-DEOSSOPVSA-N 0 0 479.577 4.983 40 0 JJABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000014831537 555840332 /nfs/dbraw/zinc/84/03/32/555840332.db2.gz IEARUVYQOFFFOF-UHFFFAOYSA-N 0 0 454.777 4.968 40 0 JJABRN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000011866956 555843138 /nfs/dbraw/zinc/84/31/38/555843138.db2.gz VEJWQAPWOXRRCB-CZMKHNCBSA-N 0 0 487.596 4.946 40 0 JJABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4s3)cc2)c(OC)c1 ZINC000021595323 555853286 /nfs/dbraw/zinc/85/32/86/555853286.db2.gz KVFKJEJGHUBIMR-UHFFFAOYSA-N 0 0 463.584 4.785 40 0 JJABRN COc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1 ZINC000021595743 555853948 /nfs/dbraw/zinc/85/39/48/555853948.db2.gz AXFSPLUYHYPHRW-UHFFFAOYSA-N 0 0 481.350 4.988 40 0 JJABRN Cc1ccc(S(=O)(=O)N(c2nsc3nc(C)cc(C)c32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015022504 555864259 /nfs/dbraw/zinc/86/42/59/555864259.db2.gz KJIRZUJWLSLKIT-UHFFFAOYSA-N 0 0 487.628 4.509 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2O)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000015049628 555866477 /nfs/dbraw/zinc/86/64/77/555866477.db2.gz RGQBCZWHGRVVMW-CHHVJCJISA-N 0 0 456.829 4.739 40 0 JJABRN CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000015080842 555872666 /nfs/dbraw/zinc/87/26/66/555872666.db2.gz YHJASAOVNLGHPM-VWLOTQADSA-N 0 0 480.580 4.759 40 0 JJABRN CCOC(=O)c1ccc(-c2ccc(CNn3c(=S)[nH]nc3-c3ccccc3OC)o2)cc1 ZINC000022111309 555878662 /nfs/dbraw/zinc/87/86/62/555878662.db2.gz CMIIPHZRZJNMFA-UHFFFAOYSA-N 0 0 450.520 4.797 40 0 JJABRN CCCn1nnnc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000022111720 555878830 /nfs/dbraw/zinc/87/88/30/555878830.db2.gz CMTNDHLXRXGVFJ-UHFFFAOYSA-N 0 0 464.339 4.575 40 0 JJABRN CCOc1cc(CNn2cn[nH]c2=S)cc(Br)c1OCc1ccccc1F ZINC000022111809 555878929 /nfs/dbraw/zinc/87/89/29/555878929.db2.gz CQVGQNATICSOJC-UHFFFAOYSA-N 0 0 453.337 4.564 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)cc1 ZINC000022231579 555890234 /nfs/dbraw/zinc/89/02/34/555890234.db2.gz FSLKUUGNNMZJGG-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1Cl ZINC000022231729 555890547 /nfs/dbraw/zinc/89/05/47/555890547.db2.gz JZIDWPUMVAHZFP-UHFFFAOYSA-N 0 0 488.993 4.641 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022231726 555890579 /nfs/dbraw/zinc/89/05/79/555890579.db2.gz UGHLSZZFQGSRPS-UHFFFAOYSA-N 0 0 488.993 4.641 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 ZINC000022232044 555891089 /nfs/dbraw/zinc/89/10/89/555891089.db2.gz SFLWGNPXSRQQLO-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 ZINC000022232362 555891565 /nfs/dbraw/zinc/89/15/65/555891565.db2.gz TUSASQDJUNREEQ-UHFFFAOYSA-N 0 0 479.042 4.914 40 0 JJABRN Cc1ccc(F)cc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232420 555891654 /nfs/dbraw/zinc/89/16/54/555891654.db2.gz ZOOMDHSZWHJFCY-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000022233080 555893043 /nfs/dbraw/zinc/89/30/43/555893043.db2.gz NTGOXKQEKUPPHQ-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN Cc1ccc(F)cc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233360 555893370 /nfs/dbraw/zinc/89/33/70/555893370.db2.gz JPWJXFYOVBQKNN-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(I)c1 ZINC000015305036 555894804 /nfs/dbraw/zinc/89/48/04/555894804.db2.gz ISSUYBVSXRUNCB-UHFFFAOYSA-N 0 0 471.707 4.725 40 0 JJABRN Cc1ccc(C2=N/C(=C\c3ccc(C(F)(F)F)cc3)C(=O)O2)cc1I ZINC000015305948 555895015 /nfs/dbraw/zinc/89/50/15/555895015.db2.gz IRFRHXGMJWHKIX-NVNXTCNLSA-N 0 0 457.189 4.963 40 0 JJABRN O=C(Nc1ccc(F)cc1)c1cc(=O)n(Cc2cccs2)/c(=N/Cc2cccs2)s1 ZINC000015320098 555897605 /nfs/dbraw/zinc/89/76/05/555897605.db2.gz XRFPNRUGJQUREX-LNVKXUELSA-N 0 0 457.577 4.573 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000022248050 555898362 /nfs/dbraw/zinc/89/83/62/555898362.db2.gz SUDNNVPNODJOTH-JPYJTQIMSA-N 0 0 487.021 4.506 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000022248656 555898963 /nfs/dbraw/zinc/89/89/63/555898963.db2.gz JNQNNSFAIHNPNS-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000022252042 555900677 /nfs/dbraw/zinc/90/06/77/555900677.db2.gz ONKHUDYSRHGIEA-UHFFFAOYSA-N 0 0 470.547 4.534 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2F)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254015 555902388 /nfs/dbraw/zinc/90/23/88/555902388.db2.gz SMJQFRQWUXWHOU-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000022268273 555907014 /nfs/dbraw/zinc/90/70/14/555907014.db2.gz UNCAPRKFGITFDX-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000022271466 555909233 /nfs/dbraw/zinc/90/92/33/555909233.db2.gz ZOSGHCZZFRJECA-QFIPXVFZSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000022271464 555909333 /nfs/dbraw/zinc/90/93/33/555909333.db2.gz QVJQDPZAGOFSQI-OAQYLSRUSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(CC)cccc2CC)cc1 ZINC000022271739 555910040 /nfs/dbraw/zinc/91/00/40/555910040.db2.gz QVGBIBXUMYYKFU-RUZDIDTESA-N 0 0 480.630 4.738 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000022273421 555910426 /nfs/dbraw/zinc/91/04/26/555910426.db2.gz NPELOBWHAYCLKZ-UHFFFAOYSA-N 0 0 464.465 4.902 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274630 555911554 /nfs/dbraw/zinc/91/15/54/555911554.db2.gz GXYDUGAOFNLNSD-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000022274677 555911588 /nfs/dbraw/zinc/91/15/88/555911588.db2.gz UGONMLAALNTOQK-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275516 555912442 /nfs/dbraw/zinc/91/24/42/555912442.db2.gz AGMJQWAOUYUBQJ-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cccc(Br)c2)cc1 ZINC000022276252 555913415 /nfs/dbraw/zinc/91/34/15/555913415.db2.gz FWXZSPGZIIIJBH-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276330 555913691 /nfs/dbraw/zinc/91/36/91/555913691.db2.gz HRXNCUNWLCRMEK-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000012136608 555913810 /nfs/dbraw/zinc/91/38/10/555913810.db2.gz ZHGLTXZFIKPQKB-JPAWQOSXSA-N 0 0 473.662 4.814 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277351 555914892 /nfs/dbraw/zinc/91/48/92/555914892.db2.gz IQDJYKBGSQXOOY-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277663 555915447 /nfs/dbraw/zinc/91/54/47/555915447.db2.gz ISPZRLHEASHYIF-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277819 555915463 /nfs/dbraw/zinc/91/54/63/555915463.db2.gz OHJDMXZSFAEWBA-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278147 555916024 /nfs/dbraw/zinc/91/60/24/555916024.db2.gz YCXXUVVVWBSCML-CQSZACIVSA-N 0 0 462.921 4.777 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)cc2)cc1Br ZINC000022278784 555916769 /nfs/dbraw/zinc/91/67/69/555916769.db2.gz CNDJXBTWYCQVEM-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022304788 555919108 /nfs/dbraw/zinc/91/91/08/555919108.db2.gz KXACOWNGKOAVLV-HSZRJFAPSA-N 0 0 499.430 4.838 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022317029 555921002 /nfs/dbraw/zinc/92/10/02/555921002.db2.gz SEKADOKXLISVRY-VWLOTQADSA-N 0 0 466.603 4.775 40 0 JJABRN CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022347141 555923859 /nfs/dbraw/zinc/92/38/59/555923859.db2.gz OSAZOGUJMUKHSH-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000022524077 555931210 /nfs/dbraw/zinc/93/12/10/555931210.db2.gz SECVPZBSZHBMOZ-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(N(CC)CC)cc3)nc2cc1C ZINC000022534491 555933005 /nfs/dbraw/zinc/93/30/05/555933005.db2.gz LRDAWVWEDDOEKA-UHFFFAOYSA-N 0 0 452.628 4.968 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2s1 ZINC000022563349 555934821 /nfs/dbraw/zinc/93/48/21/555934821.db2.gz WHUSJWLTMVYHRD-UHFFFAOYSA-N 0 0 456.593 4.949 40 0 JJABRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675944 555935314 /nfs/dbraw/zinc/93/53/14/555935314.db2.gz UEHZFGKWOVANIR-QHCPKHFHSA-N 0 0 466.501 4.953 40 0 biogenic,in-vitro JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1 ZINC000022567129 555936541 /nfs/dbraw/zinc/93/65/41/555936541.db2.gz PNAYUPBJYXBFSF-UHFFFAOYSA-N 0 0 459.550 4.601 40 0 JJABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2I)c(C)c1 ZINC000022578771 555939298 /nfs/dbraw/zinc/93/92/98/555939298.db2.gz SLPORQHGVIOIDY-UHFFFAOYSA-N 0 0 467.376 4.573 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c(C)cc1I ZINC000022580099 555939707 /nfs/dbraw/zinc/93/97/07/555939707.db2.gz PNARMCVVVFRGMU-UHFFFAOYSA-N 0 0 468.360 4.822 40 0 JJABRN COc1cc(CN(C(=O)CSc2ccc(Cl)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000022713349 555946616 /nfs/dbraw/zinc/94/66/16/555946616.db2.gz HVHBXPOLGRPXLE-UHFFFAOYSA-N 0 0 477.026 4.666 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1Br ZINC000022718079 555948010 /nfs/dbraw/zinc/94/80/10/555948010.db2.gz LODGAJVRZPDGNN-UHFFFAOYSA-N 0 0 481.302 4.519 40 0 JJABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012311782 555950560 /nfs/dbraw/zinc/95/05/60/555950560.db2.gz AOHVLGNRNJKTCK-CYSDGLOUSA-N 0 0 499.629 4.599 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(OC)c4)cc3n2)cc1 ZINC000022746724 555951396 /nfs/dbraw/zinc/95/13/96/555951396.db2.gz LAKXUNLOIVKXRG-UHFFFAOYSA-N 0 0 488.617 4.711 40 0 JJABRN CC(=O)Nc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707285 555952841 /nfs/dbraw/zinc/95/28/41/555952841.db2.gz YTMGCQGTUFMXSS-NRFANRHFSA-N 0 0 466.904 4.510 40 0 biogenic,in-vitro JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000022818616 555954978 /nfs/dbraw/zinc/95/49/78/555954978.db2.gz MEBZHIOFRPCGOC-UHFFFAOYSA-N 0 0 498.402 4.742 40 0 JJABRN Cc1nc(NC(=O)c2cc(I)ccc2Cl)ccc1I ZINC000022818739 555955028 /nfs/dbraw/zinc/95/50/28/555955028.db2.gz FHCNBQAMAQJYHC-UHFFFAOYSA-N 0 0 498.489 4.505 40 0 JJABRN Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CCN(CCO)CC2)c1C ZINC000023292210 556038374 /nfs/dbraw/zinc/03/83/74/556038374.db2.gz BRRMJPYTWNACOH-DEOSSOPVSA-N 0 0 484.065 4.970 40 0 JJABRN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 ZINC000023565828 556079284 /nfs/dbraw/zinc/07/92/84/556079284.db2.gz BEUQWLLFFPHDLV-UHFFFAOYSA-N 0 0 464.522 4.725 40 0 JJABRN O=C(Nc1ccc(Br)cc1Br)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023659492 556082735 /nfs/dbraw/zinc/08/27/35/556082735.db2.gz MLEIVQXHRHDJRY-SNVBAGLBSA-N 0 0 472.564 4.857 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015960983 556092412 /nfs/dbraw/zinc/09/24/12/556092412.db2.gz KZHRZLDJDJYZFD-UHFFFAOYSA-N 0 0 466.603 4.962 40 0 JJABRN O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000016028394 556116666 /nfs/dbraw/zinc/11/66/66/556116666.db2.gz PWIQFBLJQYYVFD-UHFFFAOYSA-N 0 0 457.777 4.529 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Br ZINC000016226612 556129833 /nfs/dbraw/zinc/12/98/33/556129833.db2.gz YOFOYKFPQDHTOT-UHFFFAOYSA-N 0 0 456.774 4.848 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1Cl ZINC000016321453 556135190 /nfs/dbraw/zinc/13/51/90/556135190.db2.gz UDMQQQLUUWOBPP-UHFFFAOYSA-N 0 0 469.375 4.697 40 0 JJABRN COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000016411808 556138594 /nfs/dbraw/zinc/13/85/94/556138594.db2.gz MRKCVQOFJPFRHA-KGENOOAVSA-N 0 0 476.554 4.934 40 0 JJABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Br)c2)c1 ZINC000016637162 556148942 /nfs/dbraw/zinc/14/89/42/556148942.db2.gz VRPLDMBHJGCTQB-UHFFFAOYSA-N 0 0 454.777 4.968 40 0 JJABRN COCCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccccc1 ZINC000024879425 556162187 /nfs/dbraw/zinc/16/21/87/556162187.db2.gz YMMIPCDIQIXXKO-UHFFFAOYSA-N 0 0 470.904 4.995 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013023644 556212956 /nfs/dbraw/zinc/21/29/56/556212956.db2.gz GLZHPXNHQNAZMO-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013023758 556213333 /nfs/dbraw/zinc/21/33/33/556213333.db2.gz NMQAKYMRVKGCNS-DEOSSOPVSA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024241 556214305 /nfs/dbraw/zinc/21/43/05/556214305.db2.gz ATZGKICCAAKOTP-RUZDIDTESA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024668 556214554 /nfs/dbraw/zinc/21/45/54/556214554.db2.gz ABZKIHVFCDTXAG-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024719 556214831 /nfs/dbraw/zinc/21/48/31/556214831.db2.gz OOUMOXLZHVIYBW-RUZDIDTESA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024756 556214834 /nfs/dbraw/zinc/21/48/34/556214834.db2.gz FBUVXUMANOIZCX-RUZDIDTESA-N 0 0 473.552 4.650 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013024907 556215164 /nfs/dbraw/zinc/21/51/64/556215164.db2.gz BHJTYHMZUVNSHT-SANMLTNESA-N 0 0 485.588 4.519 40 0 JJABRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013025359 556215764 /nfs/dbraw/zinc/21/57/64/556215764.db2.gz LMJLBPQSJSOAQY-QFIPXVFZSA-N 0 0 453.926 4.784 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025587 556216294 /nfs/dbraw/zinc/21/62/94/556216294.db2.gz QJGXHDSSMHTNBL-QFIPXVFZSA-N 0 0 466.559 4.965 40 0 JJABRN COc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2OC)cc1 ZINC000017086220 556216319 /nfs/dbraw/zinc/21/63/19/556216319.db2.gz YLZNDMCOTYMWQH-DEDYPNTBSA-N 0 0 463.873 4.921 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025593 556216330 /nfs/dbraw/zinc/21/63/30/556216330.db2.gz NGOZJLPUSCBGNV-JOCHJYFZSA-N 0 0 466.559 4.965 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025699 556216599 /nfs/dbraw/zinc/21/65/99/556216599.db2.gz NLOJVJYBMGLJAL-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025693 556216668 /nfs/dbraw/zinc/21/66/68/556216668.db2.gz LNJLWBDOXWVRDB-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013025872 556216909 /nfs/dbraw/zinc/21/69/09/556216909.db2.gz RJIQKOXRUDFZPA-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013025870 556216928 /nfs/dbraw/zinc/21/69/28/556216928.db2.gz RJIQKOXRUDFZPA-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)c1 ZINC000013025874 556216941 /nfs/dbraw/zinc/21/69/41/556216941.db2.gz RQPKKRPVUHXFLL-RUZDIDTESA-N 0 0 475.545 4.694 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)c1 ZINC000013025822 556216972 /nfs/dbraw/zinc/21/69/72/556216972.db2.gz YQVSQRNSEUTTKH-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1OC ZINC000013026326 556218178 /nfs/dbraw/zinc/21/81/78/556218178.db2.gz RBEBDLSXFJPXAF-RUZDIDTESA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1OC ZINC000013026404 556218425 /nfs/dbraw/zinc/21/84/25/556218425.db2.gz SAFFXFPIJPGXEZ-SANMLTNESA-N 0 0 490.556 4.946 40 0 JJABRN COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000013026421 556218449 /nfs/dbraw/zinc/21/84/49/556218449.db2.gz INMLILRRMXJTAC-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026410 556218458 /nfs/dbraw/zinc/21/84/58/556218458.db2.gz KAJKHHFYPDAXNJ-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013027093 556220174 /nfs/dbraw/zinc/22/01/74/556220174.db2.gz SUYQZGLDKRWOCZ-SFHVURJKSA-N 0 0 488.412 4.868 40 0 JJABRN O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1)Nc1ccccn1 ZINC000013027503 556220820 /nfs/dbraw/zinc/22/08/20/556220820.db2.gz ZWKGCQMCYVYZCR-UHFFFAOYSA-N 0 0 490.526 4.691 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000013028999 556223304 /nfs/dbraw/zinc/22/33/04/556223304.db2.gz ABZVRRONQZEIGK-HHHXNRCGSA-N 0 0 499.615 4.692 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000013029405 556223685 /nfs/dbraw/zinc/22/36/85/556223685.db2.gz KEHMWAMITUTBCJ-VWLOTQADSA-N 0 0 473.602 4.635 40 0 JJABRN COc1cccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 ZINC000013030458 556225756 /nfs/dbraw/zinc/22/57/56/556225756.db2.gz LRNSLZAYWWMNML-NDEPHWFRSA-N 0 0 499.615 4.685 40 0 JJABRN Cc1cccc(C)c1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccco1 ZINC000013031491 556228028 /nfs/dbraw/zinc/22/80/28/556228028.db2.gz UMJNSMDLAJWUAB-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)o1 ZINC000013031587 556228585 /nfs/dbraw/zinc/22/85/85/556228585.db2.gz ZTMZANGMLLVBHE-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013031875 556229641 /nfs/dbraw/zinc/22/96/41/556229641.db2.gz LHFWBMAIPZGEFW-XMMPIXPASA-N 0 0 493.011 4.503 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013032095 556230602 /nfs/dbraw/zinc/23/06/02/556230602.db2.gz IRVFVYDLFYOWPM-XMMPIXPASA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013032376 556231156 /nfs/dbraw/zinc/23/11/56/556231156.db2.gz YQGCRZCDZPMDRI-MHZLTWQESA-N 0 0 499.615 4.833 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C ZINC000013032378 556231175 /nfs/dbraw/zinc/23/11/75/556231175.db2.gz YQGCRZCDZPMDRI-HHHXNRCGSA-N 0 0 499.615 4.833 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013032477 556231463 /nfs/dbraw/zinc/23/14/63/556231463.db2.gz ANWYLGFGOVMUAX-QHCPKHFHSA-N 0 0 479.968 4.757 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013032569 556231807 /nfs/dbraw/zinc/23/18/07/556231807.db2.gz FKNGIKJMBIYKLO-JOCHJYFZSA-N 0 0 481.647 4.629 40 0 JJABRN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000025987123 556239900 /nfs/dbraw/zinc/23/99/00/556239900.db2.gz HJDFASXHIFDNHN-UHFFFAOYSA-N 0 0 499.592 4.712 40 0 JJABRN COc1ccc([C@H]2S/C(=C/c3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219302 556242430 /nfs/dbraw/zinc/24/24/30/556242430.db2.gz IXMBTSQVXBHARS-HTCWZNLXSA-N 0 0 490.581 4.601 40 0 JJABRN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026111084 556242938 /nfs/dbraw/zinc/24/29/38/556242938.db2.gz HAYXDXNRLFMNIR-UHFFFAOYSA-N 0 0 453.313 4.664 40 0 JJABRN CN(c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000026113959 556244739 /nfs/dbraw/zinc/24/47/39/556244739.db2.gz BLBZBTKZAZVQFP-UHFFFAOYSA-N 0 0 454.617 4.668 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCCC1 ZINC000026116541 556246310 /nfs/dbraw/zinc/24/63/10/556246310.db2.gz FCCVTSXQQAZHMV-UHFFFAOYSA-N 0 0 458.527 4.854 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCCCC1 ZINC000026116602 556246632 /nfs/dbraw/zinc/24/66/32/556246632.db2.gz QFTQOJYUAWZCGS-UHFFFAOYSA-N 0 0 487.416 4.737 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)N1CCC(C)CC1 ZINC000026118337 556247640 /nfs/dbraw/zinc/24/76/40/556247640.db2.gz VNTPPCRBRAADFA-UHFFFAOYSA-N 0 0 483.453 4.844 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118442 556247866 /nfs/dbraw/zinc/24/78/66/556247866.db2.gz HXZCMNQGHYUTIA-UHFFFAOYSA-N 0 0 478.705 4.660 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119883 556248489 /nfs/dbraw/zinc/24/84/89/556248489.db2.gz FPILWOATNIQXCV-UHFFFAOYSA-N 0 0 492.732 4.945 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120777 556249100 /nfs/dbraw/zinc/24/91/00/556249100.db2.gz RFOPGOVMEYNHFC-IBGZPJMESA-N 0 0 460.665 4.724 40 0 JJABRN CCCCOC(=O)C[C@@H](S[C@@H](CC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC ZINC000017284014 556250604 /nfs/dbraw/zinc/25/06/04/556250604.db2.gz QEFOHLDZJZYQEZ-BGYRXZFFSA-N 0 0 490.659 4.610 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063888 556261080 /nfs/dbraw/zinc/26/10/80/556261080.db2.gz AEMBHBCPNIXYRT-AREMUKBSSA-N 0 0 486.620 4.776 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064073 556261552 /nfs/dbraw/zinc/26/15/52/556261552.db2.gz VFEAVQPFTJIGQK-DEOSSOPVSA-N 0 0 464.614 4.924 40 0 JJABRN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)cc2)c1 ZINC000017988724 556274393 /nfs/dbraw/zinc/27/43/93/556274393.db2.gz ZKGNOPUNUTYQPB-MZBJOSPHSA-N 0 0 497.547 4.808 40 0 JJABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000018022631 556277637 /nfs/dbraw/zinc/27/76/37/556277637.db2.gz FRWUBWTWOBDLHQ-FKBYEOEOSA-N 0 0 452.869 4.539 40 0 JJABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000018031347 556278015 /nfs/dbraw/zinc/27/80/15/556278015.db2.gz QRLPNUQHXAAXTP-ACRUOGEOSA-N 0 0 496.972 4.856 40 0 JJABRN Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083621 556280470 /nfs/dbraw/zinc/28/04/70/556280470.db2.gz VUTOFFNUQQCJLF-HNNXBMFYSA-N 0 0 497.386 4.610 40 0 JJABRN CCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)C1 ZINC000013083656 556280839 /nfs/dbraw/zinc/28/08/39/556280839.db2.gz WIKRMUGYJCTMKZ-OAHLLOKOSA-N 0 0 477.396 4.568 40 0 JJABRN CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018067007 556282715 /nfs/dbraw/zinc/28/27/15/556282715.db2.gz YQRGJUQFSZDSIT-QKDODKLFSA-N 0 0 477.520 4.849 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018096634 556286888 /nfs/dbraw/zinc/28/68/88/556286888.db2.gz ODNYNGYVSPLJMG-GSDHBNRESA-N 0 0 450.494 4.900 40 0 JJABRN O=S(=O)(Nc1ccc(F)cc1)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(F)cc1 ZINC000027529490 556290695 /nfs/dbraw/zinc/29/06/95/556290695.db2.gz UVRIPPYNGOFBME-UHFFFAOYSA-N 0 0 474.510 4.720 40 0 JJABRN Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)cc1 ZINC000018156640 556295737 /nfs/dbraw/zinc/29/57/37/556295737.db2.gz KBTZJIFIWCYOIG-INMHGKMJSA-N 0 0 476.501 4.559 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccccc3Cl)o2)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000027664425 556303648 /nfs/dbraw/zinc/30/36/48/556303648.db2.gz JQPZGRRXUSTFPF-LQWHRVPQSA-N 0 0 482.817 4.843 40 0 JJABRN CC(C)(C)[C@@]1(O)C=C(C(F)(F)C(F)(F)F)NN1C(=O)COc1ccc(Cl)cc1Cl ZINC000027838658 556309136 /nfs/dbraw/zinc/30/91/36/556309136.db2.gz DUMUQPZXSVHUMR-HNNXBMFYSA-N 0 0 463.230 4.893 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000018212022 556311176 /nfs/dbraw/zinc/31/11/76/556311176.db2.gz LWPNXNWVCGBEOG-FKBYEOEOSA-N 0 0 476.554 4.593 40 0 JJABRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1 ZINC000018244581 556314749 /nfs/dbraw/zinc/31/47/49/556314749.db2.gz RDIASICPXOKECE-NYMACZPPSA-N 0 0 497.547 4.808 40 0 JJABRN O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000028091472 556315660 /nfs/dbraw/zinc/31/56/60/556315660.db2.gz QSEIATIPGAGLPD-UHFFFAOYSA-N 0 0 466.173 4.703 40 0 JJABRN CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000028208785 556319206 /nfs/dbraw/zinc/31/92/06/556319206.db2.gz WLUZVFKIOOHRBS-UHFFFAOYSA-N 0 0 462.571 4.602 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CCCCC4)cc3c2)cc1OC ZINC000028208892 556319485 /nfs/dbraw/zinc/31/94/85/556319485.db2.gz PUVWWDCWEPCSJV-UHFFFAOYSA-N 0 0 488.631 4.806 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC1CCCCCCC1 ZINC000028208856 556319496 /nfs/dbraw/zinc/31/94/96/556319496.db2.gz VMWNKCYMJROCGN-UHFFFAOYSA-N 0 0 454.636 4.990 40 0 JJABRN CCCN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209255 556320375 /nfs/dbraw/zinc/32/03/75/556320375.db2.gz BGCJGHAXGNBMOT-HXUWFJFHSA-N 0 0 472.632 4.724 40 0 JJABRN C[C@H](OC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000013117786 556329173 /nfs/dbraw/zinc/32/91/73/556329173.db2.gz PFHCAMPYFCRNSJ-NHSBRKBNSA-N 0 0 476.198 4.993 40 0 JJABRN O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000028467103 556333698 /nfs/dbraw/zinc/33/36/98/556333698.db2.gz DKUDEBDAYRKSPT-UHFFFAOYSA-N 0 0 457.777 4.529 40 0 JJABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000028527856 556334950 /nfs/dbraw/zinc/33/49/50/556334950.db2.gz QQNMWUUMZRMXSC-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN COc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1 ZINC000028535514 556335310 /nfs/dbraw/zinc/33/53/10/556335310.db2.gz XQQYXFIGKVUVFC-UHFFFAOYSA-N 0 0 464.319 4.935 40 0 JJABRN Cc1cc(NC(=O)COc2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)no1 ZINC000028616770 556336858 /nfs/dbraw/zinc/33/68/58/556336858.db2.gz OIICLUGKZMPDGJ-UHFFFAOYSA-N 0 0 469.592 4.720 40 0 JJABRN COc1cc(OC)c(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1OC ZINC000019597548 556356866 /nfs/dbraw/zinc/35/68/66/556356866.db2.gz OBEPKJUMYDISKZ-UHFFFAOYSA-N 0 0 475.582 4.631 40 0 JJABRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000029768360 556356934 /nfs/dbraw/zinc/35/69/34/556356934.db2.gz KBYHUSUAJSFDTQ-HNNXBMFYSA-N 0 0 453.391 4.774 40 0 JJABRN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000019678130 556359380 /nfs/dbraw/zinc/35/93/80/556359380.db2.gz HYHCESRYVCFDNF-UHFFFAOYSA-N 0 0 466.403 4.689 40 0 JJABRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCC2)cc1 ZINC000013137835 556369037 /nfs/dbraw/zinc/36/90/37/556369037.db2.gz POPJYSYLCKXVGD-XUVXKRRUSA-N 0 0 483.634 4.861 40 0 JJABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030752321 556371485 /nfs/dbraw/zinc/37/14/85/556371485.db2.gz AKUCUYDKHKYKHT-UHFFFAOYSA-N 0 0 457.574 4.658 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3ccnc3)c(Cl)c2)cc1 ZINC000030753017 556371825 /nfs/dbraw/zinc/37/18/25/556371825.db2.gz ZJDPSQRODUGQIA-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030753808 556372286 /nfs/dbraw/zinc/37/22/86/556372286.db2.gz KIMSMNQXQMFKPI-UHFFFAOYSA-N 0 0 499.460 4.639 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC ZINC000030754661 556372515 /nfs/dbraw/zinc/37/25/15/556372515.db2.gz XANMIRCWMMJEDS-INIZCTEOSA-N 0 0 472.588 4.624 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000030849139 556376870 /nfs/dbraw/zinc/37/68/70/556376870.db2.gz JBOMOOMVVNQSJJ-DEOSSOPVSA-N 0 0 470.566 4.687 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(C(C)(C)C)cc1 ZINC000030850540 556377138 /nfs/dbraw/zinc/37/71/38/556377138.db2.gz MHGSWLHPIUVVQG-SFHVURJKSA-N 0 0 460.615 4.542 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000030853390 556378657 /nfs/dbraw/zinc/37/86/57/556378657.db2.gz KLNOZSBDSBKRKB-MRXNPFEDSA-N 0 0 476.957 4.560 40 0 JJABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000030854077 556379007 /nfs/dbraw/zinc/37/90/07/556379007.db2.gz DTJJFVCZLYGOFO-FQEVSTJZSA-N 0 0 456.652 4.712 40 0 JJABRN CCN(c1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000030854057 556379084 /nfs/dbraw/zinc/37/90/84/556379084.db2.gz KWJKXTSMMOSEQD-UHFFFAOYSA-N 0 0 458.580 4.693 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000030854600 556379335 /nfs/dbraw/zinc/37/93/35/556379335.db2.gz DDCTWYPFATYIEO-KRWDZBQOSA-N 0 0 490.984 4.951 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030855917 556379832 /nfs/dbraw/zinc/37/98/32/556379832.db2.gz JGPKEUUSZHXLKS-HNNXBMFYSA-N 0 0 473.422 4.816 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000030859213 556380868 /nfs/dbraw/zinc/38/08/68/556380868.db2.gz YQNNLYVZIUUAFU-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000030858706 556380889 /nfs/dbraw/zinc/38/08/89/556380889.db2.gz RNCQTAWKVRUEQE-UHFFFAOYSA-N 0 0 462.980 4.880 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030858996 556380926 /nfs/dbraw/zinc/38/09/26/556380926.db2.gz IEHZROJBJXJUTM-ZEQRLZLVSA-N 0 0 460.640 4.760 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030862442 556382224 /nfs/dbraw/zinc/38/22/24/556382224.db2.gz JURPQAYHNLSLDG-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030865165 556383168 /nfs/dbraw/zinc/38/31/68/556383168.db2.gz XTPPDKRYDMGGPI-UHFFFAOYSA-N 0 0 472.950 4.594 40 0 JJABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)c3ccccc3C)CC2)c1 ZINC000030866197 556383427 /nfs/dbraw/zinc/38/34/27/556383427.db2.gz OWASBKVVWYNCQT-HHHXNRCGSA-N 0 0 476.642 4.751 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000030866362 556383434 /nfs/dbraw/zinc/38/34/34/556383434.db2.gz UYDJNNLMLKQPLL-IBGZPJMESA-N 0 0 452.576 4.994 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 ZINC000019816907 556383499 /nfs/dbraw/zinc/38/34/99/556383499.db2.gz PVKOJDZFUNERFG-QGZVFWFLSA-N 0 0 460.559 4.655 40 0 JJABRN O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817619 556383878 /nfs/dbraw/zinc/38/38/78/556383878.db2.gz YIGBXTTZAIONQO-IBGZPJMESA-N 0 0 454.408 4.765 40 0 JJABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030868267 556384157 /nfs/dbraw/zinc/38/41/57/556384157.db2.gz CTBSENKOMINKPX-UHFFFAOYSA-N 0 0 464.587 4.834 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000030868932 556384166 /nfs/dbraw/zinc/38/41/66/556384166.db2.gz TYZNARUAJPTZMA-KRWDZBQOSA-N 0 0 489.852 4.847 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000030872610 556385818 /nfs/dbraw/zinc/38/58/18/556385818.db2.gz HGVJMACUELNBHP-SANMLTNESA-N 0 0 462.615 4.830 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030873718 556385978 /nfs/dbraw/zinc/38/59/78/556385978.db2.gz SCMPQUDAPFTXPA-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 ZINC000019820220 556389168 /nfs/dbraw/zinc/38/91/68/556389168.db2.gz TVIOSNXCTMBXEY-DQEYMECFSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1OCC ZINC000019820301 556389440 /nfs/dbraw/zinc/38/94/40/556389440.db2.gz XIBJZTBGQDTUOO-DQEYMECFSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 ZINC000019820549 556389953 /nfs/dbraw/zinc/38/99/53/556389953.db2.gz FVLNXCQPLIVICX-UIOOFZCWSA-N 0 0 467.569 4.957 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1C ZINC000019820666 556390532 /nfs/dbraw/zinc/39/05/32/556390532.db2.gz VOPHSENCQDJOSF-LOSJGSFVSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1C ZINC000019820664 556390536 /nfs/dbraw/zinc/39/05/36/556390536.db2.gz VOPHSENCQDJOSF-JWQCQUIFSA-N 0 0 453.542 4.703 40 0 JJABRN O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000019828991 556397368 /nfs/dbraw/zinc/39/73/68/556397368.db2.gz PKPJLCPDTDWUCQ-UHFFFAOYSA-N 0 0 460.905 4.613 40 0 JJABRN CC1=C(C(=O)NCc2ccccc2)C(c2ccc(N(C)C)cc2)C(C(=O)NCc2ccccc2)=C(C)N1 ZINC000031829988 556408480 /nfs/dbraw/zinc/40/84/80/556408480.db2.gz MYVMJWUVBZXNBM-UHFFFAOYSA-N 0 0 494.639 4.620 40 0 JJABRN O=C(CCCc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101416 556416999 /nfs/dbraw/zinc/41/69/99/556416999.db2.gz XRDMAKVWFWSDBM-IBGZPJMESA-N 0 0 455.274 4.659 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCOCC1 ZINC000032115296 556422423 /nfs/dbraw/zinc/42/24/23/556422423.db2.gz NPXWUEMCDFZCQJ-VOTSOKGWSA-N 0 0 496.199 4.709 40 0 JJABRN Cc1cc(Br)cc(Br)c1OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032119093 556426028 /nfs/dbraw/zinc/42/60/28/556426028.db2.gz FKDSCXKYKAWHSU-UHFFFAOYSA-N 0 0 457.206 4.840 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(Br)c1 ZINC000032125442 556429783 /nfs/dbraw/zinc/42/97/83/556429783.db2.gz NHGVUETWYIRPGR-UHFFFAOYSA-N 0 0 451.386 4.513 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1 ZINC000032125428 556429794 /nfs/dbraw/zinc/42/97/94/556429794.db2.gz VSQHLESOKXHZGI-UHFFFAOYSA-N 0 0 457.574 4.823 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2o1 ZINC000032126203 556430030 /nfs/dbraw/zinc/43/00/30/556430030.db2.gz NEGJCRMQKSBPMX-UHFFFAOYSA-N 0 0 483.116 4.572 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc(Cl)ccc1Cl ZINC000032126435 556430271 /nfs/dbraw/zinc/43/02/71/556430271.db2.gz XYEGYFPNEQXPEJ-UHFFFAOYSA-N 0 0 467.403 4.567 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Cl ZINC000032126697 556430920 /nfs/dbraw/zinc/43/09/20/556430920.db2.gz NZSAILNEJDWAOZ-UHFFFAOYSA-N 0 0 473.938 4.719 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Cl ZINC000032126897 556431196 /nfs/dbraw/zinc/43/11/96/556431196.db2.gz ZYRLRCZUKJDRJP-UHFFFAOYSA-N 0 0 487.010 4.649 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C ZINC000032127223 556431721 /nfs/dbraw/zinc/43/17/21/556431721.db2.gz BNVCQTOFMIIOMW-UHFFFAOYSA-N 0 0 488.598 4.758 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc2ccccc2cc1OC ZINC000032127743 556432308 /nfs/dbraw/zinc/43/23/08/556432308.db2.gz NSSZLQTUIYJUBR-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN COc1cc2sc(NC(=S)NC(=O)c3cccc(Br)c3)nc2cc1Cl ZINC000032127986 556432841 /nfs/dbraw/zinc/43/28/41/556432841.db2.gz IRJKOJNEBCCQCX-UHFFFAOYSA-N 0 0 456.774 4.848 40 0 JJABRN O=C(CCn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21)Nc1ccc(Cl)cc1 ZINC000032597798 556449497 /nfs/dbraw/zinc/44/94/97/556449497.db2.gz GZAGMJIQRQHBND-BFUOFWGJSA-N 0 0 458.992 4.838 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032640451 556462892 /nfs/dbraw/zinc/46/28/92/556462892.db2.gz BXDIEKHHQKIKMZ-NVXWUHKLSA-N 0 0 489.819 4.517 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640805 556463711 /nfs/dbraw/zinc/46/37/11/556463711.db2.gz QVPYHDOGWSVCCM-PKOBYXMFSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1cccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032641193 556465462 /nfs/dbraw/zinc/46/54/62/556465462.db2.gz LXSLOTAZWHSOMU-AEFFLSMTSA-N 0 0 474.957 4.942 40 0 JJABRN C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2CC[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@H]1O ZINC000253534336 560040038 /nfs/dbraw/zinc/04/00/38/560040038.db2.gz PUCLKHYBLVYMRK-QTKPKFLBSA-N 0 0 490.725 4.795 40 0 biogenic,in-vitro JJABRN C[C@@H](NC(=O)N1CCOC[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1)c1ccccc1 ZINC000067898837 560049737 /nfs/dbraw/zinc/04/97/37/560049737.db2.gz GLIRTBXYJHHGEP-QRWLVFNGSA-N 0 0 460.456 4.819 40 0 biogenic,in-vitro JJABRN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 ZINC000008671244 562949439 /nfs/dbraw/zinc/94/94/39/562949439.db2.gz BIPHJXSAXZFIBW-UHFFFAOYSA-N 0 0 466.972 4.531 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)Cc3ccc4c(c3)OCO4)cc2c1 ZINC000008674180 562950464 /nfs/dbraw/zinc/95/04/64/562950464.db2.gz DLBGQRKEMCQDNS-UHFFFAOYSA-N 0 0 486.576 4.590 40 0 JJABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccn2C)cc1OC ZINC000008676944 562950552 /nfs/dbraw/zinc/95/05/52/562950552.db2.gz YKICZRQWDFLAPB-SANMLTNESA-N 0 0 495.645 4.870 40 0 JJABRN COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1OC ZINC000008677396 562950713 /nfs/dbraw/zinc/95/07/13/562950713.db2.gz PGINLAJTAFMTHG-UHFFFAOYSA-N 0 0 477.605 4.941 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)[C@H]1COc2ccccc2O1 ZINC000008685867 562952659 /nfs/dbraw/zinc/95/26/59/562952659.db2.gz DSLWFRZDCXVYLY-JWQCQUIFSA-N 0 0 494.613 4.526 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201048 569589424 /nfs/dbraw/zinc/58/94/24/569589424.db2.gz TYGLUOHFMJGOBB-NRFANRHFSA-N 0 0 487.419 4.594 40 0 JJABRN Clc1ccc(CN2CCN(c3ncnc4c3cnn4Cc3ccccc3)CC2)c(Cl)c1 ZINC000055390909 569591599 /nfs/dbraw/zinc/59/15/99/569591599.db2.gz NMLCYMXVQFRFKI-UHFFFAOYSA-N 0 0 453.377 4.504 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000057313455 569596609 /nfs/dbraw/zinc/59/66/09/569596609.db2.gz QJCSNIANIZTYOE-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)c2C(N)=O)C1 ZINC000057314064 569596820 /nfs/dbraw/zinc/59/68/20/569596820.db2.gz JYCNTMMIDAIGTF-TZIYXEQSSA-N 0 0 465.600 4.758 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5nsnc5c4)cc3n2)cc1Cl ZINC000057316158 569597452 /nfs/dbraw/zinc/59/74/52/569597452.db2.gz OWFLXVNLKJHWOK-UHFFFAOYSA-N 0 0 450.911 4.648 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000057316257 569597558 /nfs/dbraw/zinc/59/75/58/569597558.db2.gz JKYUIEPQKYMORM-UHFFFAOYSA-N 0 0 493.460 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CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)c1 ZINC000057317220 569598469 /nfs/dbraw/zinc/59/84/69/569598469.db2.gz GHBXRDUKMMXBOS-UHFFFAOYSA-N 0 0 473.573 4.699 40 0 JJABRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 ZINC000059294598 569602653 /nfs/dbraw/zinc/60/26/53/569602653.db2.gz LHVSEXYRCSRXOE-UHFFFAOYSA-N 0 0 489.601 4.907 40 0 JJABRN CCC1=NN(C(=O)c2ccc(I)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000059489017 569605635 /nfs/dbraw/zinc/60/56/35/569605635.db2.gz FPDPCERMSKIAOV-SFHVURJKSA-N 0 0 499.146 4.511 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc3nc(S[C@H](C)C(=O)Nc4nccs4)sc3c2)cc1 ZINC000059489650 569605732 /nfs/dbraw/zinc/60/57/32/569605732.db2.gz KIXQERMWABGFNN-CYBMUJFWSA-N 0 0 490.657 4.981 40 0 JJABRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000059678097 569607468 /nfs/dbraw/zinc/60/74/68/569607468.db2.gz BOXGDRVMHHJNJD-GJISQHIDSA-N 0 0 487.650 4.819 40 0 JJABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCc3ccc(F)cc3)nnc1n(CC(C)C)c2=O 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472.379 4.542 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c(C)c1 ZINC000033859746 569636449 /nfs/dbraw/zinc/63/64/49/569636449.db2.gz WYZJKPOPIMKCJH-CQSZACIVSA-N 0 0 492.432 4.961 40 0 JJABRN CC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937051 569638492 /nfs/dbraw/zinc/63/84/92/569638492.db2.gz VWUXWAUERQMNDW-HYBUGGRVSA-N 0 0 492.649 4.525 40 0 JJABRN CCC[C@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937365 569639009 /nfs/dbraw/zinc/63/90/09/569639009.db2.gz UQDJLHIVBPLQOL-FYYLOGMGSA-N 0 0 492.649 4.607 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937346 569639061 /nfs/dbraw/zinc/63/90/61/569639061.db2.gz IULVWCWWUAZONI-RPBOFIJWSA-N 0 0 486.620 4.546 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(I)c1OC ZINC000034687991 569645598 /nfs/dbraw/zinc/64/55/98/569645598.db2.gz POQYUBVKINPMHG-UHFFFAOYSA-N 0 0 452.075 4.868 40 0 JJABRN 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ZINC000035313480 569680303 /nfs/dbraw/zinc/68/03/03/569680303.db2.gz PAPPZQIPNUTXCQ-XMMPIXPASA-N 0 0 460.555 4.703 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)o1 ZINC000035334850 569680994 /nfs/dbraw/zinc/68/09/94/569680994.db2.gz ZEIXHNWKVXCQCL-RGVLZGJSSA-N 0 0 454.479 4.849 40 0 JJABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000035362476 569682403 /nfs/dbraw/zinc/68/24/03/569682403.db2.gz LUXDABVMJCSZJM-UHFFFAOYSA-N 0 0 453.593 4.834 40 0 JJABRN CC(C)(C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CO[C@H](c2ccc(Br)cc2)C1 ZINC000068603234 569691352 /nfs/dbraw/zinc/69/13/52/569691352.db2.gz RQKBLLCKZNHPBW-CVDCTZTESA-N 0 0 476.367 4.917 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)Cc2ccccc2)cc1Cl ZINC000035404583 569691541 /nfs/dbraw/zinc/69/15/41/569691541.db2.gz DNESRCNAEDCDRA-UHFFFAOYSA-N 0 0 491.034 4.900 40 0 JJABRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c(OC)c1 ZINC000035404641 569691754 /nfs/dbraw/zinc/69/17/54/569691754.db2.gz PHLVQALZJFAKPC-UHFFFAOYSA-N 0 0 454.548 4.682 40 0 JJABRN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000072216498 569700477 /nfs/dbraw/zinc/70/04/77/569700477.db2.gz IWXCXGWIMSROAD-QFIPXVFZSA-N 0 0 450.583 4.506 40 0 JJABRN CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000072238878 569701052 /nfs/dbraw/zinc/70/10/52/569701052.db2.gz FLPIQPMYMIFALV-GOSISDBHSA-N 0 0 463.317 4.645 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)N(C(=O)CN(C)C)c3ccccc3CC4)cc2c1 ZINC000072336290 569703323 /nfs/dbraw/zinc/70/33/23/569703323.db2.gz XSIVBUOGKKMTGQ-UHFFFAOYSA-N 0 0 496.611 4.864 40 0 JJABRN CN1C(=O)COc2ccc(C(=O)CSc3nnc(-c4ccsc4)c(-c4ccsc4)n3)cc21 ZINC000072338746 569703433 /nfs/dbraw/zinc/70/34/33/569703433.db2.gz GVPVNMASRILJJH-UHFFFAOYSA-N 0 0 480.596 4.659 40 0 JJABRN CCCCOc1ccc(OCCOC(=O)CC(=O)OCCOc2ccc(OCCCC)cc2)cc1 ZINC000035586060 569705021 /nfs/dbraw/zinc/70/50/21/569705021.db2.gz PHEZXXFPLTZXPH-UHFFFAOYSA-N 0 0 488.577 4.979 40 0 JJABRN COc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000088346622 569717968 /nfs/dbraw/zinc/71/79/68/569717968.db2.gz KOVUTJVIHOBWLJ-UHFFFAOYSA-N 0 0 493.412 4.822 40 0 JJABRN CC(C)n1c2cc(C(=O)N3CCN(c4ccccc4)CC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096146440 569736458 /nfs/dbraw/zinc/73/64/58/569736458.db2.gz SEEDRIVGUAYXIE-UHFFFAOYSA-N 0 0 457.578 4.669 40 0 JJABRN CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCc4cccc(F)c4)cc32)n1 ZINC000096156540 569736841 /nfs/dbraw/zinc/73/68/41/569736841.db2.gz AHDVOTRUOCZPAJ-DEOSSOPVSA-N 0 0 483.547 4.720 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4C[C@H](C)CC[C@@H]4C)cc3N2)cc1OC ZINC000036007488 569747736 /nfs/dbraw/zinc/74/77/36/569747736.db2.gz RFDPGIGDVBPOOW-KGZPDETFSA-N 0 0 466.504 4.821 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[C@H](C)C[C@H]4C)cc3N2)cc1OC ZINC000036007491 569747759 /nfs/dbraw/zinc/74/77/59/569747759.db2.gz SOTLXKIZWFXZKE-HCKSERAJSA-N 0 0 466.504 4.821 40 0 JJABRN CCc1ccc(N2C(=O)C[C@@H](N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000100191365 569755077 /nfs/dbraw/zinc/75/50/77/569755077.db2.gz BPNZFJILJHYTMU-HHHXNRCGSA-N 0 0 468.597 4.529 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000036093806 569756746 /nfs/dbraw/zinc/75/67/46/569756746.db2.gz FCQNJNSCDSYZJK-HOYKHHGWSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000036093807 569756750 /nfs/dbraw/zinc/75/67/50/569756750.db2.gz FCQNJNSCDSYZJK-MHECFPHRSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(O)c23)cc1 ZINC000100354632 569757966 /nfs/dbraw/zinc/75/79/66/569757966.db2.gz BAEKZKFUOAAURM-IFMALSPDSA-N 0 0 494.334 4.619 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc5c(c4)OCCO5)n21)CCCC3 ZINC000100386191 569758421 /nfs/dbraw/zinc/75/84/21/569758421.db2.gz LBFXNSIIYWWEDI-UHFFFAOYSA-N 0 0 466.588 4.526 40 0 JJABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nnc3c2c1C ZINC000100386442 569758462 /nfs/dbraw/zinc/75/84/62/569758462.db2.gz AXLXHZVEYYRIKG-UHFFFAOYSA-N 0 0 469.592 4.581 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4)n21)CCCC3 ZINC000100386054 569758485 /nfs/dbraw/zinc/75/84/85/569758485.db2.gz UGCRRHJTLOCTAJ-UHFFFAOYSA-N 0 0 453.593 4.520 40 0 JJABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n21)CCCC3 ZINC000100392486 569758696 /nfs/dbraw/zinc/75/86/96/569758696.db2.gz KYYVCDVZHRWNLE-UHFFFAOYSA-N 0 0 481.603 4.801 40 0 JJABRN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NC[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000036293391 569759029 /nfs/dbraw/zinc/75/90/29/569759029.db2.gz KPXLXIHCUGTMEU-INIZCTEOSA-N 0 0 481.343 4.667 40 0 JJABRN Cc1ccc(N2C(=O)C[C@@H]([C@H]3CC(C)=C4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]4C3)C2=O)cc1C ZINC000100543199 569764139 /nfs/dbraw/zinc/76/41/39/569764139.db2.gz YORJJKATIUIUDR-ZUDIISFQSA-N 0 0 470.569 4.572 40 0 JJABRN 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CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccccc2CC)n1CC ZINC000101189688 569786554 /nfs/dbraw/zinc/78/65/54/569786554.db2.gz MRNMWUPQQAYUHM-UHFFFAOYSA-N 0 0 454.596 4.877 40 0 JJABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1CC ZINC000101189486 569786584 /nfs/dbraw/zinc/78/65/84/569786584.db2.gz CDKUDQKEPJMEBN-UHFFFAOYSA-N 0 0 454.596 4.877 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(SC)cc2)C1=O ZINC000101212721 569787146 /nfs/dbraw/zinc/78/71/46/569787146.db2.gz MCDHGROHRRBXPD-SMIHKQSGSA-N 0 0 460.555 4.858 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000101248782 569788066 /nfs/dbraw/zinc/78/80/66/569788066.db2.gz RFRWHEDZKXSNMV-VABKMULXSA-N 0 0 493.357 4.504 40 0 JJABRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2c3CCCC2)CC1 ZINC000101330909 569793364 /nfs/dbraw/zinc/79/33/64/569793364.db2.gz XMQDPPYUWKIJLS-CALCHBBNSA-N 0 0 455.551 4.908 40 0 JJABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3O)n2)cc1Cl ZINC000038166379 569799818 /nfs/dbraw/zinc/79/98/18/569799818.db2.gz DUAQOVRFORVCNA-UHFFFAOYSA-N 0 0 453.749 4.632 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1cc(Cl)ccc1Cl ZINC000038172836 569800026 /nfs/dbraw/zinc/80/00/26/569800026.db2.gz MGHQVJKHKMWSCB-UHFFFAOYSA-N 0 0 474.167 4.977 40 0 JJABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)c(Br)cc1OCc1ccc(Cl)cc1Cl ZINC000038261806 569801100 /nfs/dbraw/zinc/80/11/00/569801100.db2.gz LCVQWZKVWPQICH-HNNXBMFYSA-N 0 0 498.164 4.519 40 0 JJABRN O=C1C[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N2N=CNC2=N1 ZINC000038303487 569801213 /nfs/dbraw/zinc/80/12/13/569801213.db2.gz TZTGDYNUZJJUHW-HNNXBMFYSA-N 0 0 468.138 4.511 40 0 JJABRN O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)N2N=CNC2=N1 ZINC000038316010 569801256 /nfs/dbraw/zinc/80/12/56/569801256.db2.gz SYLKOWXVIXILKP-HNNXBMFYSA-N 0 0 468.138 4.511 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000038753276 569806502 /nfs/dbraw/zinc/80/65/02/569806502.db2.gz CQCMLAOIOPNQIX-FQEVSTJZSA-N 0 0 466.603 4.720 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1OC ZINC000038754444 569806910 /nfs/dbraw/zinc/80/69/10/569806910.db2.gz KZMZIBJYXHZMCZ-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000038756664 569807393 /nfs/dbraw/zinc/80/73/93/569807393.db2.gz PJUUQXNSPOSCLU-HSZRJFAPSA-N 0 0 454.548 4.601 40 0 JJABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 ZINC000039556255 569810251 /nfs/dbraw/zinc/81/02/51/569810251.db2.gz IYYTXOFKWXBXTP-BUVRLJJBSA-N 0 0 464.525 4.529 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000039556305 569810292 /nfs/dbraw/zinc/81/02/92/569810292.db2.gz SNPMUZBZAHBJMU-ULJHMMPZSA-N 0 0 486.641 4.869 40 0 JJABRN CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)NC1=S ZINC000039556314 569810366 /nfs/dbraw/zinc/81/03/66/569810366.db2.gz HBQDNJOLQXHQFZ-IUXPMGMMSA-N 0 0 460.784 4.793 40 0 JJABRN CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)N(C)C1=S ZINC000039556602 569810544 /nfs/dbraw/zinc/81/05/44/569810544.db2.gz PGVGTUQEJAJXJN-BKUYFWCQSA-N 0 0 484.419 4.903 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc(N(C)C)cc4)c3)s2)cc1 ZINC000039743469 569811198 /nfs/dbraw/zinc/81/11/98/569811198.db2.gz WWCMVTKKAXZOLC-UHFFFAOYSA-N 0 0 473.558 4.784 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)CCC(=O)c4ccccc4)cc3)o2)cc1 ZINC000039750036 569811270 /nfs/dbraw/zinc/81/12/70/569811270.db2.gz VBRGRDPHVRBBDY-UHFFFAOYSA-N 0 0 470.485 4.599 40 0 JJABRN CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985339 569812891 /nfs/dbraw/zinc/81/28/91/569812891.db2.gz LEXTXUZLLPOJCC-UHFFFAOYSA-N 0 0 499.736 4.771 40 0 JJABRN CCN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985420 569813004 /nfs/dbraw/zinc/81/30/04/569813004.db2.gz LQRXDCWXGZXEFB-UHFFFAOYSA-N 0 0 484.174 4.544 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000039986269 569813163 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ZINC000102759773 569821770 /nfs/dbraw/zinc/82/17/70/569821770.db2.gz GKUKRAQJHRKUNW-NJYVYQBISA-N 0 0 472.394 4.775 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102760864 569821964 /nfs/dbraw/zinc/82/19/64/569821964.db2.gz BKCRHPMTXGBVNX-ACRUOGEOSA-N 0 0 485.284 4.778 40 0 JJABRN Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000102765528 569822806 /nfs/dbraw/zinc/82/28/06/569822806.db2.gz GJFXGDYIUYRCHK-FNAHDJPLSA-N 0 0 473.964 4.842 40 0 JJABRN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102768035 569823267 /nfs/dbraw/zinc/82/32/67/569823267.db2.gz AEUJEVGHYFMSPF-CMOCDZPBSA-N 0 0 489.963 4.542 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000102767306 569823293 /nfs/dbraw/zinc/82/32/93/569823293.db2.gz IUDQKXZNIVWKNW-BURNTYAHSA-N 0 0 459.937 4.533 40 0 JJABRN CCc1nn2c(nnc(C(=O)Nc3cc(OC)ccc3OC)c2C)c1-c1cccc(Cl)c1 ZINC000040384982 569824351 /nfs/dbraw/zinc/82/43/51/569824351.db2.gz KDCKGPSFRAJRRO-UHFFFAOYSA-N 0 0 451.914 4.585 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)c1-c1cccc(Cl)c1 ZINC000040385216 569824394 /nfs/dbraw/zinc/82/43/94/569824394.db2.gz KEZWOIMQMXHWHQ-UHFFFAOYSA-N 0 0 472.332 4.814 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396135 569825486 /nfs/dbraw/zinc/82/54/86/569825486.db2.gz RMWGTXFAVDNKPZ-SPYBWZPUSA-N 0 0 451.958 4.903 40 0 JJABRN COc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccc(F)cc6)cnn54)c3=O)c2c1 ZINC000040396636 569825661 /nfs/dbraw/zinc/82/56/61/569825661.db2.gz VFZFGNYDLNBMSC-UHFFFAOYSA-N 0 0 453.477 4.583 40 0 JJABRN COCc1nn2c(ncc3c2ccn(CCc2c[nH]c4ccc(OC)cc24)c3=O)c1-c1ccccc1 ZINC000040396475 569825688 /nfs/dbraw/zinc/82/56/88/569825688.db2.gz NSQIRFJLWCLGLM-UHFFFAOYSA-N 0 0 479.540 4.590 40 0 JJABRN O=C(COc1cccc2ccccc21)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397349 569825761 /nfs/dbraw/zinc/82/57/61/569825761.db2.gz GCMYSZLKFLWWDG-UHFFFAOYSA-N 0 0 495.926 4.667 40 0 JJABRN O=C(COc1ccc2ccccc2c1)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040397347 569825848 /nfs/dbraw/zinc/82/58/48/569825848.db2.gz VBRCVBZJFVARRB-UHFFFAOYSA-N 0 0 495.926 4.667 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399291 569826444 /nfs/dbraw/zinc/82/64/44/569826444.db2.gz IMPSZNPKZWSFHE-LBPRGKRZSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1C ZINC000040399520 569826668 /nfs/dbraw/zinc/82/66/68/569826668.db2.gz WGEZGOXJEFZVTP-AWEZNQCLSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c1 ZINC000040399446 569826721 /nfs/dbraw/zinc/82/67/21/569826721.db2.gz SGNIQFAXRXWEEC-INIZCTEOSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)c(Cl)c1 ZINC000040399581 569826802 /nfs/dbraw/zinc/82/68/02/569826802.db2.gz OCOLKMQLSWQUOI-NSHDSACASA-N 0 0 492.750 4.847 40 0 JJABRN CN1C(=O)C(=C(Nc2ccccc2)SCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O ZINC000040570298 569830343 /nfs/dbraw/zinc/83/03/43/569830343.db2.gz JMNPNDCERQCCPV-UHFFFAOYSA-N 0 0 450.347 4.601 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000040717481 569830355 /nfs/dbraw/zinc/83/03/55/569830355.db2.gz SLQKDGNQWZSPHF-UHFFFAOYSA-N 0 0 458.002 4.831 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1Br ZINC000040717930 569830426 /nfs/dbraw/zinc/83/04/26/569830426.db2.gz SBDYZXLKARPWTN-UHFFFAOYSA-N 0 0 488.426 4.795 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000040717661 569830455 /nfs/dbraw/zinc/83/04/55/569830455.db2.gz MSVQCHYXPCKCRG-UHFFFAOYSA-N 0 0 480.678 4.806 40 0 JJABRN Cc1ccn2c(=O)cc(COc3cc(NC(=O)c4ccc(Br)cc4)ccc3C)nc2c1 ZINC000041077187 569835357 /nfs/dbraw/zinc/83/53/57/569835357.db2.gz SDHGTBPMXDOERL-UHFFFAOYSA-N 0 0 478.346 4.905 40 0 JJABRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000103513270 569835503 /nfs/dbraw/zinc/83/55/03/569835503.db2.gz DREWMWKLZHTIOX-MYDTUXCISA-N 0 0 490.346 4.755 40 0 JJABRN CC(C)n1cnc2nc(CSc3ccc(NC(=O)c4ccccc4Br)cc3)cc(=O)n21 ZINC000041078192 569836015 /nfs/dbraw/zinc/83/60/15/569836015.db2.gz YXVZFLHTQOSVGE-UHFFFAOYSA-N 0 0 498.406 4.779 40 0 JJABRN CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000041078240 569836063 /nfs/dbraw/zinc/83/60/63/569836063.db2.gz ZIMKZLRRENNHSS-JOCHJYFZSA-N 0 0 463.921 4.723 40 0 JJABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2=O)cc1 ZINC000103716440 569837306 /nfs/dbraw/zinc/83/73/06/569837306.db2.gz ONKJDYKPHQCPJT-GFCCVEGCSA-N 0 0 471.273 4.858 40 0 JJABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2=O)cc1 ZINC000103716444 569837308 /nfs/dbraw/zinc/83/73/08/569837308.db2.gz ONKJDYKPHQCPJT-LBPRGKRZSA-N 0 0 471.273 4.858 40 0 JJABRN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000103715677 569837319 /nfs/dbraw/zinc/83/73/19/569837319.db2.gz SXMPDQAPHIZVBE-ZDUSSCGKSA-N 0 0 466.173 4.820 40 0 JJABRN CCOc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OCC)cc1C ZINC000041091749 569837596 /nfs/dbraw/zinc/83/75/96/569837596.db2.gz RHPXKLFFXHVXOE-UHFFFAOYSA-N 0 0 494.657 4.888 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000044802710 569839189 /nfs/dbraw/zinc/83/91/89/569839189.db2.gz SCROGIBHEDAHKR-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000044802707 569839227 /nfs/dbraw/zinc/83/92/27/569839227.db2.gz RWTWDFVRFVSYEC-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3C(=O)O[C@]4(C)[C@@H]5[C@@H](C)[C@@H]([C@@H]6CC[C@H](C)CO6)O[C@H]5C[C@H]4[C@H]3CC[C@H]2C1 ZINC000104207908 569843060 /nfs/dbraw/zinc/84/30/60/569843060.db2.gz ZVWYYOFKTBRFSC-BQONFIOTSA-N 0 0 488.665 4.921 40 0 JJABRN C[C@H](CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000105651609 569853234 /nfs/dbraw/zinc/85/32/34/569853234.db2.gz FGGPOQKKWIWEJS-GOSISDBHSA-N 0 0 487.419 4.564 40 0 JJABRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000106692408 569854683 /nfs/dbraw/zinc/85/46/83/569854683.db2.gz CYVIJZANJVLEDT-ZDLGFXPLSA-N 0 0 479.913 4.666 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000106696052 569854725 /nfs/dbraw/zinc/85/47/25/569854725.db2.gz GYKXXWXWOWUUCM-HMAPJEAMSA-N 0 0 499.541 4.839 40 0 JJABRN COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000106698677 569854736 /nfs/dbraw/zinc/85/47/36/569854736.db2.gz IXEBPMKDJLWNTA-IUXPMGMMSA-N 0 0 452.315 4.782 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(=O)N1CCCC1 ZINC000106702990 569854881 /nfs/dbraw/zinc/85/48/81/569854881.db2.gz FWYPSPHSTLERQY-HAHDFKILSA-N 0 0 480.586 4.631 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)Nc1ccccc1 ZINC000106711208 569854950 /nfs/dbraw/zinc/85/49/50/569854950.db2.gz GHJUEOFCVJNNOU-IUXPMGMMSA-N 0 0 456.321 4.605 40 0 JJABRN Cc1ccc(Cn2cc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)c3ccccc32)cc1 ZINC000106765155 569855648 /nfs/dbraw/zinc/85/56/48/569855648.db2.gz MKMPGBKTOFVKNK-UCQKPKSFSA-N 0 0 459.571 4.657 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1C ZINC000107575911 569856557 /nfs/dbraw/zinc/85/65/57/569856557.db2.gz XNDWCQCNXIFWQX-UHFFFAOYSA-N 0 0 492.519 4.852 40 0 JJABRN Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccc1Cl ZINC000107633677 569856800 /nfs/dbraw/zinc/85/68/00/569856800.db2.gz MDRQFQIBTOITOZ-UHFFFAOYSA-N 0 0 473.730 4.907 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)C2=O)o1 ZINC000107677213 569857008 /nfs/dbraw/zinc/85/70/08/569857008.db2.gz DMEFOAIWSYCUDF-HAHDFKILSA-N 0 0 482.492 4.891 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 ZINC000107713051 569857086 /nfs/dbraw/zinc/85/70/86/569857086.db2.gz IDSAOVKSXDBMLY-UHFFFAOYSA-N 0 0 470.784 4.966 40 0 JJABRN Nn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccc(Cl)cc1 ZINC000107720153 569857171 /nfs/dbraw/zinc/85/71/71/569857171.db2.gz AOMPLGXAICWOQH-UHFFFAOYSA-N 0 0 477.402 4.820 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC000107762161 569857264 /nfs/dbraw/zinc/85/72/64/569857264.db2.gz GMFGNBOQEGWSOF-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(F)cc2)cc1 ZINC000107796654 569857470 /nfs/dbraw/zinc/85/74/70/569857470.db2.gz UNIUJJSRMWVLGI-UHFFFAOYSA-N 0 0 456.539 4.675 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000107839880 569857588 /nfs/dbraw/zinc/85/75/88/569857588.db2.gz BJQDAVGCWIAVQI-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000107834994 569857607 /nfs/dbraw/zinc/85/76/07/569857607.db2.gz OSYVRMOMXAHKGE-UHFFFAOYSA-N 0 0 468.600 4.568 40 0 JJABRN Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)c1C ZINC000107920722 569857903 /nfs/dbraw/zinc/85/79/03/569857903.db2.gz VKNKSLNCAIKKJU-AWEZNQCLSA-N 0 0 492.432 4.961 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)c1 ZINC000108016975 569858278 /nfs/dbraw/zinc/85/82/78/569858278.db2.gz ANVHFIFSLWMRNW-UHFFFAOYSA-N 0 0 481.803 4.849 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1Cl ZINC000108058248 569858480 /nfs/dbraw/zinc/85/84/80/569858480.db2.gz SREHYBGLFTXVCP-UHFFFAOYSA-N 0 0 487.405 4.631 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000108111912 569858636 /nfs/dbraw/zinc/85/86/36/569858636.db2.gz VTROSZNGWPTPKG-QHCPKHFHSA-N 0 0 495.649 4.781 40 0 JJABRN CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccc(Cl)cc2)CC1 ZINC000108191177 569858958 /nfs/dbraw/zinc/85/89/58/569858958.db2.gz RZINLXDPHABOBC-UHFFFAOYSA-N 0 0 455.027 4.921 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 ZINC000108280968 569859410 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569878781 /nfs/dbraw/zinc/87/87/81/569878781.db2.gz CYTKGHVLOUZTKS-DEOSSOPVSA-N 0 0 458.624 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000216432424 569878825 /nfs/dbraw/zinc/87/88/25/569878825.db2.gz UAJARMQYLKUYJX-HSZRJFAPSA-N 0 0 458.624 4.633 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000216432384 569878860 /nfs/dbraw/zinc/87/88/60/569878860.db2.gz UAJARMQYLKUYJX-QHCPKHFHSA-N 0 0 458.624 4.633 40 0 JJABRN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc2nc(N)sc2c1 ZINC000216786732 569879315 /nfs/dbraw/zinc/87/93/15/569879315.db2.gz ZQCVYYRTHNXGBY-UHFFFAOYSA-N 0 0 471.174 4.729 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222430025 569884280 /nfs/dbraw/zinc/88/42/80/569884280.db2.gz KNEOGULFXIZVNA-QGZVFWFLSA-N 0 0 475.427 4.597 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222430094 569884298 /nfs/dbraw/zinc/88/42/98/569884298.db2.gz KNEOGULFXIZVNA-KRWDZBQOSA-N 0 0 475.427 4.597 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222480342 569884639 /nfs/dbraw/zinc/88/46/39/569884639.db2.gz PUTWHDAKVIFWEM-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000222480572 569884643 /nfs/dbraw/zinc/88/46/43/569884643.db2.gz MFSQFHGHDPWUNE-RDPSFJRHSA-N 0 0 454.611 4.721 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000222493992 569884863 /nfs/dbraw/zinc/88/48/63/569884863.db2.gz FZPHGTRKBUBMDT-RDPSFJRHSA-N 0 0 454.611 4.920 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222501465 569884946 /nfs/dbraw/zinc/88/49/46/569884946.db2.gz FRNDVCMJCWPEGU-HYBUGGRVSA-N 0 0 456.652 4.959 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222528146 569885148 /nfs/dbraw/zinc/88/51/48/569885148.db2.gz NVISPMSAWXUNTK-DEOSSOPVSA-N 0 0 482.983 4.861 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222526817 569885163 /nfs/dbraw/zinc/88/51/63/569885163.db2.gz LGSUOHKLMRYLLT-DVECYGJZSA-N 0 0 487.600 4.531 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc(F)cc1 ZINC000222531392 569885173 /nfs/dbraw/zinc/88/51/73/569885173.db2.gz YWIXQWHTBCOGHK-DEOSSOPVSA-N 0 0 468.569 4.584 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1 ZINC000222529013 569885184 /nfs/dbraw/zinc/88/51/84/569885184.db2.gz IWRPNIVJPWZPHG-SANMLTNESA-N 0 0 462.565 4.714 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000222537930 569885296 /nfs/dbraw/zinc/88/52/96/569885296.db2.gz DBKJKVUPBKAKGO-QHCPKHFHSA-N 0 0 461.002 4.840 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222542481 569885445 /nfs/dbraw/zinc/88/54/45/569885445.db2.gz FUALZCLVCFEQOT-QHCPKHFHSA-N 0 0 470.997 4.957 40 0 JJABRN O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000222542772 569885463 /nfs/dbraw/zinc/88/54/63/569885463.db2.gz BKLFSYMGKOYORV-GFCCVEGCSA-N 0 0 470.403 4.643 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222547143 569885546 /nfs/dbraw/zinc/88/55/46/569885546.db2.gz PRTQFKFEHMCFIW-SANMLTNESA-N 0 0 476.592 4.925 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)c1ccc(Cl)cc1 ZINC000222546899 569885575 /nfs/dbraw/zinc/88/55/75/569885575.db2.gz FGUZWLIZWUZLJQ-DZGCQCFKSA-N 0 0 475.825 4.925 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222547197 569885578 /nfs/dbraw/zinc/88/55/78/569885578.db2.gz PRTQFKFEHMCFIW-AREMUKBSSA-N 0 0 476.592 4.925 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222550072 569885629 /nfs/dbraw/zinc/88/56/29/569885629.db2.gz IRUGYZBJBKWCIM-MHZLTWQESA-N 0 0 458.602 4.786 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCc2cc(Br)ccc21 ZINC000222551671 569885640 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CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222646282 569887659 /nfs/dbraw/zinc/88/76/59/569887659.db2.gz ZVJZEJQOEJONON-SFHVURJKSA-N 0 0 479.027 4.659 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c(Br)c1 ZINC000222661691 569887945 /nfs/dbraw/zinc/88/79/45/569887945.db2.gz QDRXGVWWUXOGLN-KRWDZBQOSA-N 0 0 475.427 4.722 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222667010 569888047 /nfs/dbraw/zinc/88/80/47/569888047.db2.gz XURDVKVTMWQHMI-AWEZNQCLSA-N 0 0 457.785 4.969 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222670152 569888166 /nfs/dbraw/zinc/88/81/66/569888166.db2.gz HDSKDPCSVBNMSG-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1C ZINC000222679850 569888328 /nfs/dbraw/zinc/88/83/28/569888328.db2.gz FPZNYDWDOVBKEZ-UHFFFAOYSA-N 0 0 474.582 4.953 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222691468 569888669 /nfs/dbraw/zinc/88/86/69/569888669.db2.gz QXRGXCUAURBLHC-QFIPXVFZSA-N 0 0 497.419 4.721 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc2sncc2c1 ZINC000222700945 569888923 /nfs/dbraw/zinc/88/89/23/569888923.db2.gz KAHUOIRHCCUEFY-UHFFFAOYSA-N 0 0 473.963 4.768 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000222701958 569888989 /nfs/dbraw/zinc/88/89/89/569888989.db2.gz RBTFFASGAOIKPH-LJQANCHMSA-N 0 0 455.357 4.843 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222718308 569889460 /nfs/dbraw/zinc/88/94/60/569889460.db2.gz OGULXJVBMVWTGF-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222728214 569889686 /nfs/dbraw/zinc/88/96/86/569889686.db2.gz PGWMBVQCFXHSNU-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222732468 569889782 /nfs/dbraw/zinc/88/97/82/569889782.db2.gz PZWOBDTZYJPPEQ-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222732529 569889809 /nfs/dbraw/zinc/88/98/09/569889809.db2.gz PZWOBDTZYJPPEQ-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1Cl ZINC000222738450 569889937 /nfs/dbraw/zinc/88/99/37/569889937.db2.gz MMWXXGFIKONZIL-QGZVFWFLSA-N 0 0 470.978 4.806 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000222742801 569890078 /nfs/dbraw/zinc/89/00/78/569890078.db2.gz QRUNWQCBCQBVLO-QHCPKHFHSA-N 0 0 455.385 4.922 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222744479 569890144 /nfs/dbraw/zinc/89/01/44/569890144.db2.gz GVSLLBRZCGBBNI-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222749558 569890167 /nfs/dbraw/zinc/89/01/67/569890167.db2.gz DOSZNGCOLFFDLQ-MHZLTWQESA-N 0 0 476.592 4.925 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222749472 569890189 /nfs/dbraw/zinc/89/01/89/569890189.db2.gz INVYIDNHYFOXKW-HHHXNRCGSA-N 0 0 476.592 4.925 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000222753444 569890335 /nfs/dbraw/zinc/89/03/35/569890335.db2.gz CXQFRZGZVGQTBI-NRFANRHFSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000222754395 569890340 /nfs/dbraw/zinc/89/03/40/569890340.db2.gz ZYAJDLIKMQMNMG-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000222761480 569890425 /nfs/dbraw/zinc/89/04/25/569890425.db2.gz IRCMBMFQNADXOV-UHFFFAOYSA-N 0 0 470.900 4.594 40 0 JJABRN CCc1ccc(N(CCCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000222760213 569890472 /nfs/dbraw/zinc/89/04/72/569890472.db2.gz LQPVWBJCHFEBNU-HSZRJFAPSA-N 0 0 472.651 4.994 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222765516 569890564 /nfs/dbraw/zinc/89/05/64/569890564.db2.gz NBYPCLWOSMZGJC-AWEZNQCLSA-N 0 0 457.785 4.806 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000222779870 569890898 /nfs/dbraw/zinc/89/08/98/569890898.db2.gz VIQHLYYGWIMRGX-UHFFFAOYSA-N 0 0 456.995 4.844 40 0 JJABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1)c1ccccc1F ZINC000222783963 569890948 /nfs/dbraw/zinc/89/09/48/569890948.db2.gz WUOKSEGUFQFCTP-UHFFFAOYSA-N 0 0 491.588 4.722 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222786953 569891041 /nfs/dbraw/zinc/89/10/41/569891041.db2.gz YXLUYSRPAAJAQG-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222791784 569891215 /nfs/dbraw/zinc/89/12/15/569891215.db2.gz FWPMQFXUMZHXNB-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000222795632 569891264 /nfs/dbraw/zinc/89/12/64/569891264.db2.gz ILUYVEWYQWSTIY-SFHVURJKSA-N 0 0 454.567 4.845 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000222799707 569891354 /nfs/dbraw/zinc/89/13/54/569891354.db2.gz UNRHLVOGIZTTNB-KRWDZBQOSA-N 0 0 470.978 4.806 40 0 JJABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803716 569891494 /nfs/dbraw/zinc/89/14/94/569891494.db2.gz RRHUUYXQGLSSAJ-QGZVFWFLSA-N 0 0 472.372 4.501 40 0 JJABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803991 569891512 /nfs/dbraw/zinc/89/15/12/569891512.db2.gz XPIIZEUGHVINSV-QGZVFWFLSA-N 0 0 472.372 4.501 40 0 JJABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222804890 569891555 /nfs/dbraw/zinc/89/15/55/569891555.db2.gz YWGQIABFQCXFRX-QGZVFWFLSA-N 0 0 451.394 4.952 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222807303 569891607 /nfs/dbraw/zinc/89/16/07/569891607.db2.gz VSIHCXGHSPAFKV-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222809501 569891681 /nfs/dbraw/zinc/89/16/81/569891681.db2.gz JPLXOACKFZJLIZ-GOSISDBHSA-N 0 0 461.002 4.840 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2)cc1C ZINC000222809928 569891694 /nfs/dbraw/zinc/89/16/94/569891694.db2.gz HNSGODLFIRXYRP-FQEVSTJZSA-N 0 0 464.587 4.769 40 0 JJABRN CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1OCC ZINC000222818800 569891928 /nfs/dbraw/zinc/89/19/28/569891928.db2.gz BWKRDFGXWLLICT-PGMHBOJBSA-N 0 0 450.560 4.633 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222839387 569892324 /nfs/dbraw/zinc/89/23/24/569892324.db2.gz XFMNTGMJVGUCHA-HHHXNRCGSA-N 0 0 490.669 4.931 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1OC ZINC000222839338 569892336 /nfs/dbraw/zinc/89/23/36/569892336.db2.gz RQFRMWHYAVJFCD-FQEVSTJZSA-N 0 0 495.019 4.676 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000222839071 569892349 /nfs/dbraw/zinc/89/23/49/569892349.db2.gz CJAKTEOFFNNAGI-AREMUKBSSA-N 0 0 476.642 4.623 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222839762 569892390 /nfs/dbraw/zinc/89/23/90/569892390.db2.gz QWVOHJWQYBKLLV-VWLOTQADSA-N 0 0 497.060 4.968 40 0 JJABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840575 569892392 /nfs/dbraw/zinc/89/23/92/569892392.db2.gz BZCDGKOEGPGDFZ-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccccc2)cc1 ZINC000222842296 569892457 /nfs/dbraw/zinc/89/24/57/569892457.db2.gz PTBITQCYXVFXJW-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222844045 569892497 /nfs/dbraw/zinc/89/24/97/569892497.db2.gz TUVFKUNTUHQLBD-IBGZPJMESA-N 0 0 478.976 4.735 40 0 JJABRN COc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(OC)c1 ZINC000222847001 569892547 /nfs/dbraw/zinc/89/25/47/569892547.db2.gz OOPCNACIRVOEJG-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222849057 569892636 /nfs/dbraw/zinc/89/26/36/569892636.db2.gz YNXIZIXBMNHYGW-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222854801 569892805 /nfs/dbraw/zinc/89/28/05/569892805.db2.gz ZWUNWMWHJFKMHN-UHFFFAOYSA-N 0 0 485.252 4.976 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222855595 569892820 /nfs/dbraw/zinc/89/28/20/569892820.db2.gz MZGSNIWYOZTPLG-QGZVFWFLSA-N 0 0 461.002 4.622 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3sncc3c2)cc1)c1ccccc1 ZINC000222856446 569892850 /nfs/dbraw/zinc/89/28/50/569892850.db2.gz ZSOFRUWZGKGMME-KRWDZBQOSA-N 0 0 465.600 4.907 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1cccc2ccccc21 ZINC000222861148 569892975 /nfs/dbraw/zinc/89/29/75/569892975.db2.gz FPJANYGMFFFSPT-UHFFFAOYSA-N 0 0 472.610 4.610 40 0 JJABRN CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1)c1ccccc1F ZINC000222860950 569892984 /nfs/dbraw/zinc/89/29/84/569892984.db2.gz QEZYNXQZKYABLR-UHFFFAOYSA-N 0 0 491.588 4.722 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccc2ccccc21 ZINC000222864442 569893026 /nfs/dbraw/zinc/89/30/26/569893026.db2.gz ZVGGDHYCEBJNPP-UHFFFAOYSA-N 0 0 458.583 4.567 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccccc1Oc1ccccc1 ZINC000222867282 569893091 /nfs/dbraw/zinc/89/30/91/569893091.db2.gz YOPYTEYYYUVMIY-UHFFFAOYSA-N 0 0 460.555 4.715 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000222873960 569893220 /nfs/dbraw/zinc/89/32/20/569893220.db2.gz DDXISMMWKOLSOS-ZDUSSCGKSA-N 0 0 462.921 4.565 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222873371 569893227 /nfs/dbraw/zinc/89/32/27/569893227.db2.gz NYFVGJMEHRWVAX-HHHXNRCGSA-N 0 0 488.628 4.758 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Br)s2)cc1 ZINC000222875421 569893309 /nfs/dbraw/zinc/89/33/09/569893309.db2.gz ACWTWTYMZRGPTI-UHFFFAOYSA-N 0 0 454.733 4.647 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222879570 569893376 /nfs/dbraw/zinc/89/33/76/569893376.db2.gz XPUTWFDCXVARHF-GOSISDBHSA-N 0 0 484.955 4.600 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1OC ZINC000222882926 569893445 /nfs/dbraw/zinc/89/34/45/569893445.db2.gz KIQJPBSLOSHJBA-FQEVSTJZSA-N 0 0 482.596 4.809 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000222890288 569893682 /nfs/dbraw/zinc/89/36/82/569893682.db2.gz IWRZFQWNYFJHGH-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222896619 569893818 /nfs/dbraw/zinc/89/38/18/569893818.db2.gz QGBPWRVGIDSCIG-HSZRJFAPSA-N 0 0 454.611 4.704 40 0 JJABRN CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(F)cc1 ZINC000222896022 569893822 /nfs/dbraw/zinc/89/38/22/569893822.db2.gz MZVLEMXFOOHDFJ-UHFFFAOYSA-N 0 0 452.551 4.563 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222898389 569893873 /nfs/dbraw/zinc/89/38/73/569893873.db2.gz XAPFRSONGGSMHJ-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)c1 ZINC000222909629 569894111 /nfs/dbraw/zinc/89/41/11/569894111.db2.gz XPISNIOVLHLMDO-NRFANRHFSA-N 0 0 462.615 4.947 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000222912394 569894226 /nfs/dbraw/zinc/89/42/26/569894226.db2.gz BJSXZHXNSPKLAF-NRFANRHFSA-N 0 0 492.641 4.955 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccccc2)cc1OC ZINC000222920927 569894412 /nfs/dbraw/zinc/89/44/12/569894412.db2.gz ZSKPAYJRPMAQIG-OAQYLSRUSA-N 0 0 492.591 4.552 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222920593 569894442 /nfs/dbraw/zinc/89/44/42/569894442.db2.gz SVAHQTFWGUVXEB-AWEZNQCLSA-N 0 0 488.959 4.881 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1Cl ZINC000222923577 569894450 /nfs/dbraw/zinc/89/44/50/569894450.db2.gz WHMKDSNKSWMYCA-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN C[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222925503 569894505 /nfs/dbraw/zinc/89/45/05/569894505.db2.gz ZSUWUXSDYYSQAX-CQSZACIVSA-N 0 0 455.407 4.516 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000222926875 569894599 /nfs/dbraw/zinc/89/45/99/569894599.db2.gz MOPUIFIXBYXLSG-SFHVURJKSA-N 0 0 461.002 4.623 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222928055 569894629 /nfs/dbraw/zinc/89/46/29/569894629.db2.gz GDTQKPWYWSEYLF-GOSISDBHSA-N 0 0 454.929 4.592 40 0 JJABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000222939445 569894950 /nfs/dbraw/zinc/89/49/50/569894950.db2.gz RZBBYCDDMLOQKR-KRWDZBQOSA-N 0 0 461.027 4.884 40 0 JJABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCCCC1 ZINC000222939089 569894971 /nfs/dbraw/zinc/89/49/71/569894971.db2.gz SKCLDRFZQNDURU-FQEVSTJZSA-N 0 0 454.636 4.930 40 0 JJABRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCCCC1 ZINC000222939142 569894993 /nfs/dbraw/zinc/89/49/93/569894993.db2.gz SKCLDRFZQNDURU-HXUWFJFHSA-N 0 0 454.636 4.930 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1Cl ZINC000222941003 569895039 /nfs/dbraw/zinc/89/50/39/569895039.db2.gz YVWCLZZAZXPHSG-KRWDZBQOSA-N 0 0 479.042 4.651 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222958636 569895436 /nfs/dbraw/zinc/89/54/36/569895436.db2.gz BRQNGISXQOYAOP-OAQYLSRUSA-N 0 0 494.632 4.679 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCCC1 ZINC000222962747 569895531 /nfs/dbraw/zinc/89/55/31/569895531.db2.gz CUKBKWSBTPKOCP-SFHVURJKSA-N 0 0 472.676 4.953 40 0 JJABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000222965761 569895649 /nfs/dbraw/zinc/89/56/49/569895649.db2.gz MPSDKVABHFHFMA-MOSHPQCFSA-N 0 0 478.961 4.847 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000222969077 569895743 /nfs/dbraw/zinc/89/57/43/569895743.db2.gz SKPDQTNYANQRNN-FNZWTVRRSA-N 0 0 478.614 4.700 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc2ccccc2c1Br ZINC000222971741 569895842 /nfs/dbraw/zinc/89/58/42/569895842.db2.gz WDRCPSHVXRQFHR-MRXNPFEDSA-N 0 0 487.369 4.674 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222976122 569895861 /nfs/dbraw/zinc/89/58/61/569895861.db2.gz SNGAVMHKSLRUPP-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000222974573 569895864 /nfs/dbraw/zinc/89/58/64/569895864.db2.gz IIQNDFSXTIEGKE-UHFFFAOYSA-N 0 0 480.355 4.654 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222979036 569895965 /nfs/dbraw/zinc/89/59/65/569895965.db2.gz YFFNTPXYDYJSIN-SFHVURJKSA-N 0 0 472.676 4.565 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222981417 569896014 /nfs/dbraw/zinc/89/60/14/569896014.db2.gz QBJCRKHELALBCP-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222982091 569896088 /nfs/dbraw/zinc/89/60/88/569896088.db2.gz UJOUICNTUYGPKT-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1Cl ZINC000222986788 569896226 /nfs/dbraw/zinc/89/62/26/569896226.db2.gz HUMGJNSUDFFGDH-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222986979 569896237 /nfs/dbraw/zinc/89/62/37/569896237.db2.gz GFVYNJXGZNRQTB-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000222987713 569896274 /nfs/dbraw/zinc/89/62/74/569896274.db2.gz LVXDWCHRUFMGFQ-JTSKRJEESA-N 0 0 463.043 4.949 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222989996 569896354 /nfs/dbraw/zinc/89/63/54/569896354.db2.gz FTAJWRBZXPRNTB-SFHVURJKSA-N 0 0 463.043 4.951 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223000009 569896560 /nfs/dbraw/zinc/89/65/60/569896560.db2.gz ZXIBKQLEOCFXRV-NRFANRHFSA-N 0 0 489.454 4.987 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000223017063 569896921 /nfs/dbraw/zinc/89/69/21/569896921.db2.gz CBYZUBHAFGOOAH-HXUWFJFHSA-N 0 0 463.441 4.544 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223027123 569897146 /nfs/dbraw/zinc/89/71/46/569897146.db2.gz MVMWUOJCAVSDPJ-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223027729 569897152 /nfs/dbraw/zinc/89/71/52/569897152.db2.gz DQDGFDLKPIJEDB-RUZDIDTESA-N 0 0 495.019 4.512 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 ZINC000223029995 569897291 /nfs/dbraw/zinc/89/72/91/569897291.db2.gz CLKAPGCYCLTTAW-LJQANCHMSA-N 0 0 475.427 4.778 40 0 JJABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223031449 569897335 /nfs/dbraw/zinc/89/73/35/569897335.db2.gz DLUFQSBDZFTJNB-AREMUKBSSA-N 0 0 488.628 4.803 40 0 JJABRN COc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223046580 569897666 /nfs/dbraw/zinc/89/76/66/569897666.db2.gz XYFYKYGRIGMNKP-GOSISDBHSA-N 0 0 461.002 4.840 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)s2)cc1 ZINC000223045960 569897695 /nfs/dbraw/zinc/89/76/95/569897695.db2.gz VFWFNVJAWJJHEI-UHFFFAOYSA-N 0 0 478.599 4.656 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223050940 569897828 /nfs/dbraw/zinc/89/78/28/569897828.db2.gz NPERVIOSBKSTSN-JOCHJYFZSA-N 0 0 493.467 4.670 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223053220 569897832 /nfs/dbraw/zinc/89/78/32/569897832.db2.gz ZKQPRYPIJJHESI-ZWKOTPCHSA-N 0 0 477.992 4.785 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000223060065 569898078 /nfs/dbraw/zinc/89/80/78/569898078.db2.gz RMWGTXFAVDNKPZ-ZRGWGRIASA-N 0 0 451.958 4.903 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060370 569898086 /nfs/dbraw/zinc/89/80/86/569898086.db2.gz AEYLTFKLIJHUMZ-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223063895 569898262 /nfs/dbraw/zinc/89/82/62/569898262.db2.gz JXDZUHGDSSPGAX-DEOSSOPVSA-N 0 0 470.635 4.630 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223064955 569898305 /nfs/dbraw/zinc/89/83/05/569898305.db2.gz GZDAKDMCKJOURX-NDEPHWFRSA-N 0 0 472.629 4.801 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223071640 569898545 /nfs/dbraw/zinc/89/85/45/569898545.db2.gz OOBADGHNDRBFHL-ZWKOTPCHSA-N 0 0 461.002 4.622 40 0 JJABRN CC[C@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223074672 569898614 /nfs/dbraw/zinc/89/86/14/569898614.db2.gz NXOKLSRMVIOELE-DEOSSOPVSA-N 0 0 456.652 4.996 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1NC(=O)C(C)C ZINC000223079210 569898839 /nfs/dbraw/zinc/89/88/39/569898839.db2.gz RKGXTDDOYUYRFI-IBGZPJMESA-N 0 0 462.637 4.892 40 0 JJABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1I ZINC000223084371 569898913 /nfs/dbraw/zinc/89/89/13/569898913.db2.gz ISIQPNFRLFYPRQ-MOPGFXCFSA-N 0 0 480.419 4.936 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000223085438 569898999 /nfs/dbraw/zinc/89/89/99/569898999.db2.gz FBJWRZPZLDOTGM-GJZGRUSLSA-N 0 0 455.357 4.843 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000223089217 569899106 /nfs/dbraw/zinc/89/91/06/569899106.db2.gz SPNKJWLOILJDIA-UHFFFAOYSA-N 0 0 496.629 4.584 40 0 JJABRN CC[C@@H](NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223090037 569899161 /nfs/dbraw/zinc/89/91/61/569899161.db2.gz AKRGKXGBDLTBGR-HSZRJFAPSA-N 0 0 472.676 4.953 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000223091503 569899174 /nfs/dbraw/zinc/89/91/74/569899174.db2.gz OOXRBRTZAIJYEN-QHCPKHFHSA-N 0 0 484.593 4.914 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000223091578 569899175 /nfs/dbraw/zinc/89/91/75/569899175.db2.gz AFHUKNSQCWCMHN-SANMLTNESA-N 0 0 468.663 4.683 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223091659 569899203 /nfs/dbraw/zinc/89/92/03/569899203.db2.gz NYFSGQOPMRJPFB-AREMUKBSSA-N 0 0 468.663 4.683 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc2c(c1)CCCC2 ZINC000223091436 569899213 /nfs/dbraw/zinc/89/92/13/569899213.db2.gz JVSARGYQYCFRLQ-SANMLTNESA-N 0 0 468.663 4.683 40 0 JJABRN COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223092131 569899218 /nfs/dbraw/zinc/89/92/18/569899218.db2.gz DVWFLIPOEPJFAO-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223093342 569899241 /nfs/dbraw/zinc/89/92/41/569899241.db2.gz UVCDBGJUIGJUBL-OAQYLSRUSA-N 0 0 483.406 4.843 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(C)cc2C)cc1 ZINC000223095653 569899298 /nfs/dbraw/zinc/89/92/98/569899298.db2.gz XLBGYDNMSRVDCJ-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223109803 569899708 /nfs/dbraw/zinc/89/97/08/569899708.db2.gz JPXBZXBWYZRJHL-GOTSBHOMSA-N 0 0 461.027 4.639 40 0 JJABRN CCOc1ccc(N(CCCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000223119555 569900009 /nfs/dbraw/zinc/90/00/09/569900009.db2.gz WSRWGGSOZBOHGK-VWLOTQADSA-N 0 0 472.651 4.778 40 0 JJABRN Cc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)ccc1Br ZINC000223120288 569900020 /nfs/dbraw/zinc/90/00/20/569900020.db2.gz RMJPFSLITFOPGC-GOSISDBHSA-N 0 0 475.427 4.511 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223120723 569900061 /nfs/dbraw/zinc/90/00/61/569900061.db2.gz WWENRUFDQMAQEU-MRXNPFEDSA-N 0 0 495.845 4.856 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@@H](C)CC)c(Br)c1 ZINC000223122073 569900133 /nfs/dbraw/zinc/90/01/33/569900133.db2.gz XEQNEABCCPZJED-DLBZAZTESA-N 0 0 493.417 4.861 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223122461 569900150 /nfs/dbraw/zinc/90/01/50/569900150.db2.gz PQGQGFSSCADMSS-BJKOFHAPSA-N 0 0 460.603 4.964 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223122917 569900186 /nfs/dbraw/zinc/90/01/86/569900186.db2.gz JPZWZHIGCXLUNE-RPWUZVMVSA-N 0 0 460.603 4.964 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 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BUNJOKUPJAZLMF-JWQCQUIFSA-N 0 0 496.080 4.529 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1CCCN1CCOCC1 ZINC000223198590 569903126 /nfs/dbraw/zinc/90/31/26/569903126.db2.gz WKXDXXNPJJJBJO-IZLXSDGUSA-N 0 0 497.668 4.720 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223202767 569903291 /nfs/dbraw/zinc/90/32/91/569903291.db2.gz FVEKCKROXRFEKH-OXJNMPFZSA-N 0 0 495.472 4.901 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204047 569903371 /nfs/dbraw/zinc/90/33/71/569903371.db2.gz GMGZOHCJOCOPHN-LOSJGSFVSA-N 0 0 497.064 4.998 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223209303 569903544 /nfs/dbraw/zinc/90/35/44/569903544.db2.gz WHGQUJQTFXUIGC-UHFFFAOYSA-N 0 0 466.603 4.550 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223219281 569903851 /nfs/dbraw/zinc/90/38/51/569903851.db2.gz FPUSZSQRYPHSIZ-MUUNZHRXSA-N 0 0 497.570 4.556 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 ZINC000223234583 569904376 /nfs/dbraw/zinc/90/43/76/569904376.db2.gz CQISIGHRBOSGRX-RTBURBONSA-N 0 0 475.427 4.940 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223234439 569904396 /nfs/dbraw/zinc/90/43/96/569904396.db2.gz GIWKNNPMVXSJPG-MOPGFXCFSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223236564 569904450 /nfs/dbraw/zinc/90/44/50/569904450.db2.gz QELNKFUPLPFHIP-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223234825 569904456 /nfs/dbraw/zinc/90/44/56/569904456.db2.gz SQHXNMWYYCCWIQ-ZIAGYGMSSA-N 0 0 455.407 4.514 40 0 JJABRN C[C@@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223239288 569904556 /nfs/dbraw/zinc/90/45/56/569904556.db2.gz KGRZMHXSTOZQLN-MRXNPFEDSA-N 0 0 468.541 4.618 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1C ZINC000223254687 569905047 /nfs/dbraw/zinc/90/50/47/569905047.db2.gz KIXCVTPSANHEDM-RBUKOAKNSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccccc1 ZINC000223255095 569905059 /nfs/dbraw/zinc/90/50/59/569905059.db2.gz OYZDOQYIAQOBAD-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223255115 569905080 /nfs/dbraw/zinc/90/50/80/569905080.db2.gz FANWFMMGFPOLOU-HHHXNRCGSA-N 0 0 458.602 4.767 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223254992 569905096 /nfs/dbraw/zinc/90/50/96/569905096.db2.gz QTEGFRUVJNCFHW-HHHXNRCGSA-N 0 0 458.602 4.767 40 0 JJABRN COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000223259147 569905177 /nfs/dbraw/zinc/90/51/77/569905177.db2.gz AIABTUKWVMKEEX-VWLOTQADSA-N 0 0 450.966 4.625 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223272167 569905693 /nfs/dbraw/zinc/90/56/93/569905693.db2.gz VWOAKGNJKRCWQP-OAHLLOKOSA-N 0 0 499.808 4.954 40 0 JJABRN C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C(C)(C)C)cc1 ZINC000223278985 569905961 /nfs/dbraw/zinc/90/59/61/569905961.db2.gz FYXLJECKXPQBRW-ZDUSSCGKSA-N 0 0 479.027 4.781 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000223278117 569905976 /nfs/dbraw/zinc/90/59/76/569905976.db2.gz OSHWVRXRUYFCIX-GDLZYMKVSA-N 0 0 493.607 4.589 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223283704 569906080 /nfs/dbraw/zinc/90/60/80/569906080.db2.gz XDRIQKDWDJBHIN-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223285184 569906153 /nfs/dbraw/zinc/90/61/53/569906153.db2.gz MXOZRZVHJFABDC-LJQANCHMSA-N 0 0 460.640 4.894 40 0 JJABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000223288404 569906352 /nfs/dbraw/zinc/90/63/52/569906352.db2.gz BDOPQPHIOLTXKA-HHHXNRCGSA-N 0 0 474.601 4.630 40 0 JJABRN CC(C)(Cc1ccccc1)NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223290123 569906384 /nfs/dbraw/zinc/90/63/84/569906384.db2.gz FRMQTOWCNVGWHF-UHFFFAOYSA-N 0 0 463.814 4.550 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223300884 569906650 /nfs/dbraw/zinc/90/66/50/569906650.db2.gz YSNZAPCHDYJVSN-NRFANRHFSA-N 0 0 475.427 4.858 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223298497 569906554 /nfs/dbraw/zinc/90/65/54/569906554.db2.gz LUZFRXNXZNJPRG-WOJBJXKFSA-N 0 0 460.640 4.776 40 0 JJABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1Cl ZINC000223301031 569906591 /nfs/dbraw/zinc/90/65/91/569906591.db2.gz USCUIGKFPHAIGR-KNXBSLHKSA-N 0 0 456.974 4.816 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1C[C@@H]1CCCO1 ZINC000223299633 569906599 /nfs/dbraw/zinc/90/65/99/569906599.db2.gz PMUCXGDSDNUWPB-SSKFGXFMSA-N 0 0 461.616 4.634 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C(C)C ZINC000223307489 569906787 /nfs/dbraw/zinc/90/67/87/569906787.db2.gz OEDWCOBLKJOXLS-IAGOWNOFSA-N 0 0 467.031 4.812 40 0 JJABRN CC[C@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223315619 569907155 /nfs/dbraw/zinc/90/71/55/569907155.db2.gz XGLCTIXWPQDALY-FGZHOGPDSA-N 0 0 458.624 4.738 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 ZINC000223316130 569907200 /nfs/dbraw/zinc/90/72/00/569907200.db2.gz KJEOKDPEUSPOCD-LXFBAYGMSA-N 0 0 488.628 4.937 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000223317205 569907258 /nfs/dbraw/zinc/90/72/58/569907258.db2.gz NDNDWMRKZKBCDV-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Br)c2)N1C[C@@H]1CCCO1 ZINC000223318466 569907361 /nfs/dbraw/zinc/90/73/61/569907361.db2.gz IMAYLCPBCDSATP-NYVOZVTQSA-N 0 0 483.435 4.786 40 0 JJABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000223323334 569907556 /nfs/dbraw/zinc/90/75/56/569907556.db2.gz RUEYBGLTDBJZSY-STZFKDTASA-N 0 0 458.543 4.502 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1OC ZINC000223322961 569907561 /nfs/dbraw/zinc/90/75/61/569907561.db2.gz CFXPSMNXZSLBBB-GDLZYMKVSA-N 0 0 498.579 4.926 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC ZINC000223330810 569907792 /nfs/dbraw/zinc/90/77/92/569907792.db2.gz JUBSPQTTYMAFJA-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223330670 569907811 /nfs/dbraw/zinc/90/78/11/569907811.db2.gz LYCBLEHPASLVML-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223332980 569907868 /nfs/dbraw/zinc/90/78/68/569907868.db2.gz GPFAQUSMNUEPQN-WMZHIEFXSA-N 0 0 460.640 4.857 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1C(C)C ZINC000223338151 569907938 /nfs/dbraw/zinc/90/79/38/569907938.db2.gz ADHOFFAYGURNOH-LJQANCHMSA-N 0 0 490.641 4.685 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)s2)cc1 ZINC000223341647 569908006 /nfs/dbraw/zinc/90/80/06/569908006.db2.gz IDJDTBKVCRXUDQ-UHFFFAOYSA-N 0 0 494.598 4.711 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1C(C)C ZINC000223354669 569908422 /nfs/dbraw/zinc/90/84/22/569908422.db2.gz URBACXGGPKOZRY-LJQANCHMSA-N 0 0 468.619 4.778 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223357634 569908486 /nfs/dbraw/zinc/90/84/86/569908486.db2.gz BAZHSDAQZWNJEM-XTEPFMGCSA-N 0 0 456.586 4.685 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000223361937 569908765 /nfs/dbraw/zinc/90/87/65/569908765.db2.gz BWSOJLJXRGVAGT-FDDCHVKYSA-N 0 0 476.639 4.558 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223363586 569908814 /nfs/dbraw/zinc/90/88/14/569908814.db2.gz LVCVGUMNEXNJPV-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223372548 569909167 /nfs/dbraw/zinc/90/91/67/569909167.db2.gz XJXWGFHFMKZSIZ-MRXNPFEDSA-N 0 0 479.404 4.988 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000223372326 569909195 /nfs/dbraw/zinc/90/91/95/569909195.db2.gz JSDBEHBTNXIZRS-ZEQKJWHPSA-N 0 0 488.628 4.937 40 0 JJABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223392060 569909694 /nfs/dbraw/zinc/90/96/94/569909694.db2.gz OYGXIOUFVBCUAF-SANMLTNESA-N 0 0 480.992 4.806 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223399711 569909880 /nfs/dbraw/zinc/90/98/80/569909880.db2.gz ZNLAINSNTPESPN-OAQYLSRUSA-N 0 0 471.450 4.979 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c2ccccc2)c(C)c1 ZINC000223401144 569909981 /nfs/dbraw/zinc/90/99/81/569909981.db2.gz BJSGERXYROSYAW-SANMLTNESA-N 0 0 468.594 4.895 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1C ZINC000223404294 569910090 /nfs/dbraw/zinc/91/00/90/569910090.db2.gz SDJHMCADUCXFAQ-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223406134 569910131 /nfs/dbraw/zinc/91/01/31/569910131.db2.gz RDILNPYTSAILLN-JWQCQUIFSA-N 0 0 468.582 4.832 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000223406839 569910171 /nfs/dbraw/zinc/91/01/71/569910171.db2.gz XOCBNCHNFLHDOV-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223406400 569910195 /nfs/dbraw/zinc/91/01/95/569910195.db2.gz HEFUFIMQWNDBAU-DEOSSOPVSA-N 0 0 452.957 4.798 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223414653 569910531 /nfs/dbraw/zinc/91/05/31/569910531.db2.gz JIHQHUKEOIWKRN-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223415904 569910562 /nfs/dbraw/zinc/91/05/62/569910562.db2.gz VNIJGUAZRBCAOM-JWQCQUIFSA-N 0 0 455.587 4.757 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223419269 569910627 /nfs/dbraw/zinc/91/06/27/569910627.db2.gz PMLFYUHKPXOHLQ-MRXNPFEDSA-N 0 0 479.404 4.988 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223420773 569910761 /nfs/dbraw/zinc/91/07/61/569910761.db2.gz YRYPAINOLLCRQK-HNNXBMFYSA-N 0 0 455.357 4.845 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223425007 569910919 /nfs/dbraw/zinc/91/09/19/569910919.db2.gz HUDVOTUJJUHYDB-NRFANRHFSA-N 0 0 456.652 4.879 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000223434431 569911280 /nfs/dbraw/zinc/91/12/80/569911280.db2.gz UVZQUYJMSANSSU-LJQANCHMSA-N 0 0 451.032 4.997 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223435768 569911331 /nfs/dbraw/zinc/91/13/31/569911331.db2.gz IGBXOEXGUFWCIH-BDYUSTAISA-N 0 0 493.003 4.784 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1Cl ZINC000223434573 569911351 /nfs/dbraw/zinc/91/13/51/569911351.db2.gz YNBCOOSPPBNMJQ-SFHVURJKSA-N 0 0 467.031 4.697 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 ZINC000223436612 569911417 /nfs/dbraw/zinc/91/14/17/569911417.db2.gz JKAGAGUTCKFUPR-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223439947 569911508 /nfs/dbraw/zinc/91/15/08/569911508.db2.gz CJOVZTYMAPIMLY-HXUWFJFHSA-N 0 0 458.624 4.532 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000223445817 569911581 /nfs/dbraw/zinc/91/15/81/569911581.db2.gz KSLHKGZCIUSLLH-IZZNHLLZSA-N 0 0 498.608 4.840 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000223454843 569911869 /nfs/dbraw/zinc/91/18/69/569911869.db2.gz HDYPJVAXLQVEOX-DEOSSOPVSA-N 0 0 450.579 4.694 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223456282 569911885 /nfs/dbraw/zinc/91/18/85/569911885.db2.gz OOKFRKSFVCCZJG-SANMLTNESA-N 0 0 494.632 4.844 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223456648 569911905 /nfs/dbraw/zinc/91/19/05/569911905.db2.gz OMPVVPWBQQWJMI-FQEVSTJZSA-N 0 0 469.434 4.789 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000223456455 569911927 /nfs/dbraw/zinc/91/19/27/569911927.db2.gz CJOOHHYACGLKQI-UAPYWLNTSA-N 0 0 460.530 4.786 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223457398 569911971 /nfs/dbraw/zinc/91/19/71/569911971.db2.gz QWWVKGQTWZPNCP-LJQANCHMSA-N 0 0 461.002 4.678 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223468523 569912342 /nfs/dbraw/zinc/91/23/42/569912342.db2.gz ZDIZUYCEKLVKEC-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223469921 569912358 /nfs/dbraw/zinc/91/23/58/569912358.db2.gz FZOLCIBIXKTGOG-JWQCQUIFSA-N 0 0 454.603 4.506 40 0 JJABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223471991 569912422 /nfs/dbraw/zinc/91/24/22/569912422.db2.gz FUQBNDDQAAKBLR-DQEYMECFSA-N 0 0 455.587 4.839 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000223483358 569912889 /nfs/dbraw/zinc/91/28/89/569912889.db2.gz NSLQTSOJIIKNAY-SFHVURJKSA-N 0 0 481.456 4.977 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)s2)cc1 ZINC000223485183 569913002 /nfs/dbraw/zinc/91/30/02/569913002.db2.gz WGFQAKCAIIVQDO-UHFFFAOYSA-N 0 0 491.038 4.984 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1cccnc1 ZINC000223486373 569913055 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453.435 4.823 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223518446 569914348 /nfs/dbraw/zinc/91/43/48/569914348.db2.gz MGJANORDJUPGQQ-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223518289 569914359 /nfs/dbraw/zinc/91/43/59/569914359.db2.gz HCEVDDFYZRZWJX-CYVLTUHYSA-N 0 0 452.532 4.574 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223522342 569914468 /nfs/dbraw/zinc/91/44/68/569914468.db2.gz QWFYNJGOTHGUMS-UHFFFAOYSA-N 0 0 474.582 4.615 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1)c1ccccc1 ZINC000223523865 569914503 /nfs/dbraw/zinc/91/45/03/569914503.db2.gz PEPBYWOVAWWBAS-UHFFFAOYSA-N 0 0 474.582 4.615 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(SCC(C)C)s3)cc2C)cc1 ZINC000223524821 569914558 /nfs/dbraw/zinc/91/45/58/569914558.db2.gz LELLVMLHMNRGJK-UHFFFAOYSA-N 0 0 476.649 4.956 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 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ZINC000223703907 569920547 /nfs/dbraw/zinc/92/05/47/569920547.db2.gz AJEPECXOLFURNO-YADHBBJMSA-N 0 0 455.967 4.839 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 ZINC000223705163 569920566 /nfs/dbraw/zinc/92/05/66/569920566.db2.gz FVWDCORWEHVZNJ-FQRUVTKNSA-N 0 0 480.555 4.898 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223716066 569920911 /nfs/dbraw/zinc/92/09/11/569920911.db2.gz DEBOYEWUCMUMHI-VXKWHMMOSA-N 0 0 472.973 4.591 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223718404 569920962 /nfs/dbraw/zinc/92/09/62/569920962.db2.gz ZVDUNYULJWKHKZ-GOSISDBHSA-N 0 0 461.002 4.623 40 0 JJABRN Cc1cccc(-c2noc(CNC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3C)n2)c1 ZINC000223717698 569920973 /nfs/dbraw/zinc/92/09/73/569920973.db2.gz ADADJNAUERRNNF-STZFKDTASA-N 0 0 458.543 4.502 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223720087 569921046 /nfs/dbraw/zinc/92/10/46/569921046.db2.gz NNVOHNHGSUUUIA-BJKOFHAPSA-N 0 0 454.640 4.931 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(C)cc(C)c2)cc1OC ZINC000223724711 569921229 /nfs/dbraw/zinc/92/12/29/569921229.db2.gz IXSXIOWCOZQCEW-UHFFFAOYSA-N 0 0 490.666 4.847 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223725748 569921278 /nfs/dbraw/zinc/92/12/78/569921278.db2.gz YIXZEGVXEWAAHD-DEOSSOPVSA-N 0 0 471.601 4.832 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223730978 569921444 /nfs/dbraw/zinc/92/14/44/569921444.db2.gz GLQODVUROMJXDP-FCHUYYIVSA-N 0 0 488.535 4.817 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223734648 569921590 /nfs/dbraw/zinc/92/15/90/569921590.db2.gz ILWWTBLQNYZJPV-UIOOFZCWSA-N 0 0 470.598 4.951 40 0 JJABRN CCOc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223737268 569921683 /nfs/dbraw/zinc/92/16/83/569921683.db2.gz SMVCZMDIZDVZKY-UHFFFAOYSA-N 0 0 465.015 4.631 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc(C)c1Br ZINC000223744252 569921921 /nfs/dbraw/zinc/92/19/21/569921921.db2.gz JPYQPNVLQJIBDU-IBGZPJMESA-N 0 0 487.438 4.921 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223745591 569921932 /nfs/dbraw/zinc/92/19/32/569921932.db2.gz ACDVOGVKWARHDJ-IBGZPJMESA-N 0 0 465.015 4.613 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000223750121 569922065 /nfs/dbraw/zinc/92/20/65/569922065.db2.gz FFHAMEQBBQBDBZ-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000223750039 569922087 /nfs/dbraw/zinc/92/20/87/569922087.db2.gz UNUBIIPLWYMOHN-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN COCc1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000223751275 569922129 /nfs/dbraw/zinc/92/21/29/569922129.db2.gz LTHVJWUFNCWVBR-UHFFFAOYSA-N 0 0 458.967 4.705 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 ZINC000223751842 569922133 /nfs/dbraw/zinc/92/21/33/569922133.db2.gz SVXQXCOLDULFGK-UHFFFAOYSA-N 0 0 466.647 4.968 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000223760440 569922409 /nfs/dbraw/zinc/92/24/09/569922409.db2.gz OCXHJDSZRCGSLB-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223762820 569922540 /nfs/dbraw/zinc/92/25/40/569922540.db2.gz XYQXWMALNVLQMJ-NDEPHWFRSA-N 0 0 488.628 4.939 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2cccc(C)c2C)cc1 ZINC000223770037 569922682 /nfs/dbraw/zinc/92/26/82/569922682.db2.gz SLUJBKGCVCXBNR-UHFFFAOYSA-N 0 0 471.022 4.819 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3cc(Cl)ccc3O2)c1 ZINC000223778998 569923007 /nfs/dbraw/zinc/92/30/07/569923007.db2.gz ATAHUIYDWOZQKS-RUZDIDTESA-N 0 0 499.032 4.738 40 0 JJABRN Cc1ccccc1CN(C(=O)COc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223780015 569923101 /nfs/dbraw/zinc/92/31/01/569923101.db2.gz JQCUUGMVHGHUMT-GOSISDBHSA-N 0 0 473.411 4.612 40 0 JJABRN CCSc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223783387 569923163 /nfs/dbraw/zinc/92/31/63/569923163.db2.gz XMSUQDXOMDMSOB-UHFFFAOYSA-N 0 0 490.676 4.916 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223808576 569924024 /nfs/dbraw/zinc/92/40/24/569924024.db2.gz RWYQOMMUBRJIPL-NRFANRHFSA-N 0 0 458.986 4.725 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811727 569924056 /nfs/dbraw/zinc/92/40/56/569924056.db2.gz MNAFZOFWTQPLFS-NRFANRHFSA-N 0 0 452.595 4.639 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223815339 569924175 /nfs/dbraw/zinc/92/41/75/569924175.db2.gz FWVGHACRSQWESD-NRFANRHFSA-N 0 0 479.390 4.691 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223822157 569924302 /nfs/dbraw/zinc/92/43/02/569924302.db2.gz NNSKGEMADQNATE-HXUWFJFHSA-N 0 0 487.449 4.857 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000223822162 569924326 /nfs/dbraw/zinc/92/43/26/569924326.db2.gz DIIZXNAEZHCOPM-GOSISDBHSA-N 0 0 473.013 4.766 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 ZINC000223836885 569924771 /nfs/dbraw/zinc/92/47/71/569924771.db2.gz ZYGRGBJVHDWQFR-UHFFFAOYSA-N 0 0 493.412 4.556 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223837682 569924796 /nfs/dbraw/zinc/92/47/96/569924796.db2.gz ZKUROJBLBJVAML-HXUWFJFHSA-N 0 0 450.604 4.884 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cccc(COC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223841014 569924817 /nfs/dbraw/zinc/92/48/17/569924817.db2.gz CRDSWLLLMFHCCJ-UHFFFAOYSA-N 0 0 488.993 4.719 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223880276 569926069 /nfs/dbraw/zinc/92/60/69/569926069.db2.gz HOYMKWPRFSUTOK-ZEQRLZLVSA-N 0 0 470.554 4.542 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223880649 569926083 /nfs/dbraw/zinc/92/60/83/569926083.db2.gz NFMNGNGGXGRWJJ-RPWUZVMVSA-N 0 0 470.554 4.542 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223880751 569926115 /nfs/dbraw/zinc/92/61/15/569926115.db2.gz NFMNGNGGXGRWJJ-ZEQRLZLVSA-N 0 0 470.554 4.542 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1 ZINC000223889505 569926357 /nfs/dbraw/zinc/92/63/57/569926357.db2.gz XDGUNGOSDFIFQM-KRWDZBQOSA-N 0 0 463.441 4.626 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223906233 569926804 /nfs/dbraw/zinc/92/68/04/569926804.db2.gz GBMFJYKGXMRYTL-SFHVURJKSA-N 0 0 497.057 4.885 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223906173 569926827 /nfs/dbraw/zinc/92/68/27/569926827.db2.gz GBMFJYKGXMRYTL-GOSISDBHSA-N 0 0 497.057 4.885 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(C)c(C)c2)cc1 ZINC000223906666 569926890 /nfs/dbraw/zinc/92/68/90/569926890.db2.gz VUOIBXVCJXUKIT-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000223913301 569927065 /nfs/dbraw/zinc/92/70/65/569927065.db2.gz RFFVNUDMNBNSIQ-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223914490 569927100 /nfs/dbraw/zinc/92/71/00/569927100.db2.gz NDGWDYGAPYXXCH-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223915450 569927143 /nfs/dbraw/zinc/92/71/43/569927143.db2.gz NERJCZHBYHWJAY-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223916247 569927145 /nfs/dbraw/zinc/92/71/45/569927145.db2.gz IZWPWKYBPJIKFN-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 ZINC000223917460 569927244 /nfs/dbraw/zinc/92/72/44/569927244.db2.gz LGSOMUUYOWOHNY-GOSISDBHSA-N 0 0 461.400 4.552 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223921387 569927360 /nfs/dbraw/zinc/92/73/60/569927360.db2.gz BUJLDQTVWKRQKR-GOSISDBHSA-N 0 0 475.427 4.895 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223925767 569927494 /nfs/dbraw/zinc/92/74/94/569927494.db2.gz QHBSYVWHAZPTRZ-OXQOHEQNSA-N 0 0 465.015 4.693 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccc(N2CCOCC2)cc1 ZINC000223927950 569927547 /nfs/dbraw/zinc/92/75/47/569927547.db2.gz CUGAIMMZEOTPDQ-IZZNHLLZSA-N 0 0 485.613 4.538 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223931255 569927689 /nfs/dbraw/zinc/92/76/89/569927689.db2.gz QXUIAQZVKNYOTI-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223934079 569927745 /nfs/dbraw/zinc/92/77/45/569927745.db2.gz PEKJSVKLNIRDAN-SFHVURJKSA-N 0 0 477.468 4.934 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223944460 569928034 /nfs/dbraw/zinc/92/80/34/569928034.db2.gz VIUFAQRQTTZTGE-HNNXBMFYSA-N 0 0 484.383 4.660 40 0 JJABRN CCOc1cc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)ccc1OC ZINC000223951838 569928250 /nfs/dbraw/zinc/92/82/50/569928250.db2.gz SMENDCOXTMMLEW-QNGOZBTKSA-N 0 0 450.560 4.551 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223961722 569928543 /nfs/dbraw/zinc/92/85/43/569928543.db2.gz WBEFBNMCRKRGCM-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223962682 569928583 /nfs/dbraw/zinc/92/85/83/569928583.db2.gz ZSUMRWYVVQYOLU-GOSISDBHSA-N 0 0 491.426 4.560 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223962739 569928596 /nfs/dbraw/zinc/92/85/96/569928596.db2.gz ZSUMRWYVVQYOLU-SFHVURJKSA-N 0 0 491.426 4.560 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000223965040 569928702 /nfs/dbraw/zinc/92/87/02/569928702.db2.gz SXJCAVSSRKNEMX-AMGIVPHBSA-N 0 0 458.602 4.793 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000223964939 569928715 /nfs/dbraw/zinc/92/87/15/569928715.db2.gz SXJCAVSSRKNEMX-AJTFRIOCSA-N 0 0 458.602 4.793 40 0 JJABRN Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1S(=O)(=O)Nc1ccccc1 ZINC000223965591 569928729 /nfs/dbraw/zinc/92/87/29/569928729.db2.gz ZWXKRJDYVQNRSY-UHFFFAOYSA-N 0 0 450.545 4.567 40 0 JJABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1Cl ZINC000223966479 569928759 /nfs/dbraw/zinc/92/87/59/569928759.db2.gz GBPGUWJWPBPWPK-UHFFFAOYSA-N 0 0 450.720 4.823 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223967516 569928816 /nfs/dbraw/zinc/92/88/16/569928816.db2.gz HZQAWOXLURAUTE-DQEYMECFSA-N 0 0 468.586 4.711 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000223968801 569928898 /nfs/dbraw/zinc/92/88/98/569928898.db2.gz GWQDRFSKFPMZOQ-RPWUZVMVSA-N 0 0 457.559 4.660 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223977647 569929205 /nfs/dbraw/zinc/92/92/05/569929205.db2.gz FPUJTXSGNKSIDQ-INIZCTEOSA-N 0 0 479.404 4.857 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000223981635 569929338 /nfs/dbraw/zinc/92/93/38/569929338.db2.gz QERYLBQBFQMEMH-UHFFFAOYSA-N 0 0 489.490 4.898 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000223986182 569929506 /nfs/dbraw/zinc/92/95/06/569929506.db2.gz QSJPVGJXVGCONB-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc2ccccc2c1Br ZINC000223996748 569929834 /nfs/dbraw/zinc/92/98/34/569929834.db2.gz LGRODBJUMZPKGT-QGZVFWFLSA-N 0 0 499.405 4.543 40 0 JJABRN O=C(Nc1ccc2c3c(cccc31)CC2)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223997356 569929868 /nfs/dbraw/zinc/92/98/68/569929868.db2.gz JMHUWQWIALCVMV-RUZDIDTESA-N 0 0 470.550 4.533 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224000319 569929986 /nfs/dbraw/zinc/92/99/86/569929986.db2.gz PBSSMFAIAXSVQO-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1Cc1cccnc1 ZINC000224003312 569930079 /nfs/dbraw/zinc/93/00/79/569930079.db2.gz NIEFVAMTZTWEKU-UIOOFZCWSA-N 0 0 483.597 4.849 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1Cc1cccnc1 ZINC000224003202 569930101 /nfs/dbraw/zinc/93/01/01/569930101.db2.gz NIEFVAMTZTWEKU-FTJBHMTQSA-N 0 0 483.597 4.849 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccnc1 ZINC000224004962 569930181 /nfs/dbraw/zinc/93/01/81/569930181.db2.gz AFUJSPWBRCGMSP-DQEYMECFSA-N 0 0 469.570 4.790 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224007429 569930249 /nfs/dbraw/zinc/93/02/49/569930249.db2.gz RKEYVCDSCZQIAG-MHZLTWQESA-N 0 0 458.602 4.849 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CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1Cl ZINC000408595402 569966130 /nfs/dbraw/zinc/96/61/30/569966130.db2.gz RSKQEIRSKNUISO-UHFFFAOYSA-N 0 0 475.369 4.571 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000224973568 569966281 /nfs/dbraw/zinc/96/62/81/569966281.db2.gz SUISTCPQBJHGCB-JOCHJYFZSA-N 0 0 464.031 4.822 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 ZINC000408595839 569966451 /nfs/dbraw/zinc/96/64/51/569966451.db2.gz VCYALEKOUWOIAB-UHFFFAOYSA-N 0 0 468.575 4.638 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224975980 569966584 /nfs/dbraw/zinc/96/65/84/569966584.db2.gz XSOGBSLNEFMYJK-IBGZPJMESA-N 0 0 472.626 4.934 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408596883 569967028 /nfs/dbraw/zinc/96/70/28/569967028.db2.gz TWZNGZQEPYOZPG-UHFFFAOYSA-N 0 0 452.576 4.985 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000224980248 569967082 /nfs/dbraw/zinc/96/70/82/569967082.db2.gz GCYBWAXDXWPHOV-KRWDZBQOSA-N 0 0 493.467 4.634 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCc1ccccc1 ZINC000408597277 569967302 /nfs/dbraw/zinc/96/73/02/569967302.db2.gz YIZFTTYBXOMWEA-UHFFFAOYSA-N 0 0 498.910 4.855 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000408597753 569967601 /nfs/dbraw/zinc/96/76/01/569967601.db2.gz XXPJMFPIHHVOON-UHFFFAOYSA-N 0 0 476.904 4.597 40 0 JJABRN Cc1ccccc1[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000224992402 569967815 /nfs/dbraw/zinc/96/78/15/569967815.db2.gz SABYGCGJQDFPCX-HXUWFJFHSA-N 0 0 499.017 4.820 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C ZINC000408599472 569968214 /nfs/dbraw/zinc/96/82/14/569968214.db2.gz HQNFMVVVJRRFFL-UHFFFAOYSA-N 0 0 455.342 4.879 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)c(Br)c1 ZINC000224998526 569968279 /nfs/dbraw/zinc/96/82/79/569968279.db2.gz DLKHGIIXZKTHDC-MSOLQXFVSA-N 0 0 475.427 4.722 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000224999099 569968280 /nfs/dbraw/zinc/96/82/80/569968280.db2.gz QXZFMILAEKUZBK-UHFFFAOYSA-N 0 0 482.446 4.587 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000225004210 569968592 /nfs/dbraw/zinc/96/85/92/569968592.db2.gz XWXNSVMAQXUQFY-LEWJYISDSA-N 0 0 471.601 4.912 40 0 JJABRN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408600737 569968677 /nfs/dbraw/zinc/96/86/77/569968677.db2.gz CDAKFIUTDJJIBR-MHZLTWQESA-N 0 0 486.593 4.794 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(I)c1 ZINC000225017083 569969460 /nfs/dbraw/zinc/96/94/60/569969460.db2.gz JUACTSCDLYKLRS-UHFFFAOYSA-N 0 0 454.739 4.524 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(C)c1 ZINC000225017188 569969486 /nfs/dbraw/zinc/96/94/86/569969486.db2.gz BJPUZEANBXVUMW-JOCHJYFZSA-N 0 0 497.032 4.605 40 0 JJABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408602830 569969616 /nfs/dbraw/zinc/96/96/16/569969616.db2.gz JGONHIGICTYHJG-ZDUSSCGKSA-N 0 0 478.920 4.699 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2ccccc2C)cc1 ZINC000225032368 569970502 /nfs/dbraw/zinc/97/05/02/569970502.db2.gz FVUHTDNOCQJOOE-UHFFFAOYSA-N 0 0 450.604 4.636 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000225035588 569970653 /nfs/dbraw/zinc/97/06/53/569970653.db2.gz VEHWCXCENBNEEJ-QHCPKHFHSA-N 0 0 452.595 4.639 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C ZINC000408606430 569971221 /nfs/dbraw/zinc/97/12/21/569971221.db2.gz LZCIXJULEUUSNX-NSHDSACASA-N 0 0 465.786 4.659 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl ZINC000408607886 569971612 /nfs/dbraw/zinc/97/16/12/569971612.db2.gz QWABATBRRAHQCS-JTQLQIEISA-N 0 0 485.311 4.716 40 0 JJABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408607782 569971627 /nfs/dbraw/zinc/97/16/27/569971627.db2.gz QJJDCXNMCDTMDS-UHFFFAOYSA-N 0 0 480.464 4.532 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408608293 569971718 /nfs/dbraw/zinc/97/17/18/569971718.db2.gz LBPAKXSWGQTLND-LJQANCHMSA-N 0 0 489.012 4.808 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1CCCNc1ccccc1 ZINC000225054121 569972192 /nfs/dbraw/zinc/97/21/92/569972192.db2.gz CYKWDPBHXFXXMK-IZZNHLLZSA-N 0 0 468.630 4.801 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl ZINC000408610159 569972320 /nfs/dbraw/zinc/97/23/20/569972320.db2.gz VBHXPWVMAKPSLX-UHFFFAOYSA-N 0 0 462.980 4.880 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408611302 569972671 /nfs/dbraw/zinc/97/26/71/569972671.db2.gz WOFRPCQMXDLWKK-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000225065924 569973066 /nfs/dbraw/zinc/97/30/66/569973066.db2.gz IAMKDKIFTLPJHR-OAQYLSRUSA-N 0 0 471.601 4.566 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000225067615 569973147 /nfs/dbraw/zinc/97/31/47/569973147.db2.gz NMJVULWNMQMGFN-HSZRJFAPSA-N 0 0 452.595 4.639 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)N1CCCCCC1 ZINC000408613093 569973131 /nfs/dbraw/zinc/97/31/31/569973131.db2.gz ZUJWOQVOWOSQKE-UHFFFAOYSA-N 0 0 490.931 4.941 40 0 JJABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408612917 569973134 /nfs/dbraw/zinc/97/31/34/569973134.db2.gz ZNTKNEUDYYYQLC-LJQANCHMSA-N 0 0 468.575 4.819 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000225067489 569973177 /nfs/dbraw/zinc/97/31/77/569973177.db2.gz HELCUSIPJICVMP-VWLOTQADSA-N 0 0 452.595 4.639 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCCCC1)c1ccc(C)cc1 ZINC000408613448 569973333 /nfs/dbraw/zinc/97/33/33/569973333.db2.gz UJQCUVZMFTZKQI-UHFFFAOYSA-N 0 0 458.624 4.736 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000225078161 569973472 /nfs/dbraw/zinc/97/34/72/569973472.db2.gz RBHJDLLKIMGDDB-MOPGFXCFSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000408614418 569974027 /nfs/dbraw/zinc/97/40/27/569974027.db2.gz CABZOICEVKCRDA-FQEVSTJZSA-N 0 0 475.976 4.878 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1NC(C)=O ZINC000225085744 569974056 /nfs/dbraw/zinc/97/40/56/569974056.db2.gz IXEAYCGBQSVWRD-UHFFFAOYSA-N 0 0 488.635 4.535 40 0 JJABRN Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000225087743 569974164 /nfs/dbraw/zinc/97/41/64/569974164.db2.gz IGOIJYREGPFJFZ-FTJBHMTQSA-N 0 0 483.597 4.615 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1C ZINC000408615593 569974936 /nfs/dbraw/zinc/97/49/36/569974936.db2.gz RAFSRIQDILVBCW-UHFFFAOYSA-N 0 0 491.657 4.992 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 ZINC000225099291 569975070 /nfs/dbraw/zinc/97/50/70/569975070.db2.gz FQQRNPODNCAKCK-VWLOTQADSA-N 0 0 452.595 4.639 40 0 JJABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000408616084 569975223 /nfs/dbraw/zinc/97/52/23/569975223.db2.gz VPIBPQQRCKKFKS-FQEVSTJZSA-N 0 0 475.976 4.878 40 0 JJABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408616425 569975592 /nfs/dbraw/zinc/97/55/92/569975592.db2.gz YZBQEOMNMGLBAL-LJQANCHMSA-N 0 0 461.949 4.570 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(C)cc2)cc1 ZINC000408616449 569975618 /nfs/dbraw/zinc/97/56/18/569975618.db2.gz GLMWPEBCVHUMKQ-UHFFFAOYSA-N 0 0 482.646 4.674 40 0 JJABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408616573 569975748 /nfs/dbraw/zinc/97/57/48/569975748.db2.gz ZMOPIJSLLCJAMV-FQEVSTJZSA-N 0 0 475.976 4.878 40 0 JJABRN 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CCc1ccccc1N(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1 ZINC000408617736 569976310 /nfs/dbraw/zinc/97/63/10/569976310.db2.gz IYTAFUTYYBHJCT-UHFFFAOYSA-N 0 0 488.993 4.754 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)Nc1cccc(Cl)c1 ZINC000408617892 569976441 /nfs/dbraw/zinc/97/64/41/569976441.db2.gz DYJIKNRDKBDSFC-UHFFFAOYSA-N 0 0 491.396 4.758 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000225126654 569976682 /nfs/dbraw/zinc/97/66/82/569976682.db2.gz USZSHVDYXWWRRA-DEOSSOPVSA-N 0 0 464.606 4.913 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(=O)(=O)c1ccccc1 ZINC000225134163 569977181 /nfs/dbraw/zinc/97/71/81/569977181.db2.gz GBLNYNPRXJKWCF-UHFFFAOYSA-N 0 0 495.626 4.786 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 ZINC000408619245 569977234 /nfs/dbraw/zinc/97/72/34/569977234.db2.gz LHMVZXUWCQNQBU-KRWDZBQOSA-N 0 0 470.978 4.673 40 0 JJABRN COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225136992 569977330 /nfs/dbraw/zinc/97/73/30/569977330.db2.gz GSPHUCFBBYABNH-HHHXNRCGSA-N 0 0 458.602 4.711 40 0 JJABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000225142568 569977595 /nfs/dbraw/zinc/97/75/95/569977595.db2.gz BSYPCHZMCMPWKG-MRXNPFEDSA-N 0 0 488.993 4.957 40 0 JJABRN CCOc1c(I)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000408620206 569977745 /nfs/dbraw/zinc/97/77/45/569977745.db2.gz LAEWAQKRCBOSMJ-UHFFFAOYSA-N 0 0 494.098 4.852 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408620423 569977838 /nfs/dbraw/zinc/97/78/38/569977838.db2.gz JOOZOIQSHHPXGT-UHFFFAOYSA-N 0 0 474.557 4.927 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)Cc2ccccc2)cc1 ZINC000408620771 569977899 /nfs/dbraw/zinc/97/78/99/569977899.db2.gz LVPKKZWAAYDNBL-UHFFFAOYSA-N 0 0 472.994 4.877 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225150659 569978234 /nfs/dbraw/zinc/97/82/34/569978234.db2.gz 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CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCOC)c2C)cc1C ZINC000225156247 569978797 /nfs/dbraw/zinc/97/87/97/569978797.db2.gz MYDXVGHBHADLLV-UIOOFZCWSA-N 0 0 491.661 4.980 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225157949 569978900 /nfs/dbraw/zinc/97/89/00/569978900.db2.gz YCZSIHUVOXEANL-LJQANCHMSA-N 0 0 461.002 4.841 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408622899 569978957 /nfs/dbraw/zinc/97/89/57/569978957.db2.gz NXZYACJKGBIXJG-UHFFFAOYSA-N 0 0 487.984 4.551 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000408622827 569978995 /nfs/dbraw/zinc/97/89/95/569978995.db2.gz VZQHLXCKUAXKBL-UHFFFAOYSA-N 0 0 452.576 4.925 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000225158878 569979043 /nfs/dbraw/zinc/97/90/43/569979043.db2.gz URTWFPRJRVMBIZ-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000408623070 569979070 /nfs/dbraw/zinc/97/90/70/569979070.db2.gz OTGDWDVEXBUFNN-JOCHJYFZSA-N 0 0 492.641 4.653 40 0 JJABRN CC(C)OC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000408623141 569979094 /nfs/dbraw/zinc/97/90/94/569979094.db2.gz RALOSRYXRMYIMP-OHTDUKGKSA-N 0 0 451.522 4.823 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000408625476 569980189 /nfs/dbraw/zinc/98/01/89/569980189.db2.gz VHYWRFGGHLETID-LJQANCHMSA-N 0 0 471.022 4.981 40 0 JJABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408625408 569980216 /nfs/dbraw/zinc/98/02/16/569980216.db2.gz UUSYJMMFRUHPGE-GNMASIKHSA-N 0 0 487.625 4.525 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C2CCCCC2)cc1 ZINC000408625566 569980275 /nfs/dbraw/zinc/98/02/75/569980275.db2.gz WFEMBZWOLJLQRW-UHFFFAOYSA-N 0 0 450.988 4.701 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc(Cl)c1 ZINC000408625851 569980405 /nfs/dbraw/zinc/98/04/05/569980405.db2.gz XHHOHOSFTUYTCU-UHFFFAOYSA-N 0 0 472.994 4.529 40 0 JJABRN COc1ccc(CN(C)C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408625975 569980410 /nfs/dbraw/zinc/98/04/10/569980410.db2.gz JYPAYGJAWULLEP-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1OC ZINC000225176582 569980464 /nfs/dbraw/zinc/98/04/64/569980464.db2.gz WZMQFHBYVYLINT-YADHBBJMSA-N 0 0 452.605 4.986 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000408626242 569980531 /nfs/dbraw/zinc/98/05/31/569980531.db2.gz VGNCUEJLDWJDBV-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1OC ZINC000225178678 569980555 /nfs/dbraw/zinc/98/05/55/569980555.db2.gz BMCZNEISGBJHSY-BJKOFHAPSA-N 0 0 463.607 4.998 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZINC000408626483 569980683 /nfs/dbraw/zinc/98/06/83/569980683.db2.gz ZBCVCBYQAKWAEK-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC(C)C)c2)c2cccc(Cl)c2)cc1 ZINC000408626317 569980728 /nfs/dbraw/zinc/98/07/28/569980728.db2.gz WKEHTKHLBROTCI-UHFFFAOYSA-N 0 0 488.993 4.970 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000408626750 569980835 /nfs/dbraw/zinc/98/08/35/569980835.db2.gz WMLDPZIHECFGPI-HNNXBMFYSA-N 0 0 477.007 4.805 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408626754 569980847 /nfs/dbraw/zinc/98/08/47/569980847.db2.gz WNJIBHPYHINEHT-UHFFFAOYSA-N 0 0 488.993 4.543 40 0 JJABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000225185026 569980972 /nfs/dbraw/zinc/98/09/72/569980972.db2.gz AYTADFCUAKRVJZ-QFIPXVFZSA-N 0 0 475.427 4.778 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OC ZINC000225185535 569980987 /nfs/dbraw/zinc/98/09/87/569980987.db2.gz QDFUQMLZWONXTE-NKFKGCMQSA-N 0 0 492.572 4.560 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225188459 569981208 /nfs/dbraw/zinc/98/12/08/569981208.db2.gz UGMFDPWKWWQUSR-ROUUACIJSA-N 0 0 477.992 4.785 40 0 JJABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000408627779 569981259 /nfs/dbraw/zinc/98/12/59/569981259.db2.gz PPNMUNNKECRFNU-UHFFFAOYSA-N 0 0 474.557 4.927 40 0 JJABRN COc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000408628455 569981363 /nfs/dbraw/zinc/98/13/63/569981363.db2.gz XPIQYVIYBWOWNV-UHFFFAOYSA-N 0 0 462.365 4.862 40 0 JJABRN O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1cccc(Br)c1 ZINC000408628606 569981522 /nfs/dbraw/zinc/98/15/22/569981522.db2.gz ZHOIATQGMMXMAY-UHFFFAOYSA-N 0 0 477.767 4.917 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000408629776 569981826 /nfs/dbraw/zinc/98/18/26/569981826.db2.gz HSJFKXKDUAKDDJ-UHFFFAOYSA-N 0 0 493.629 4.619 40 0 JJABRN COc1cc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(OC)cc1Cl ZINC000408630111 569982033 /nfs/dbraw/zinc/98/20/33/569982033.db2.gz NUKFKNGQGZJDJA-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 ZINC000225200253 569982091 /nfs/dbraw/zinc/98/20/91/569982091.db2.gz VDNZIMHULIJRDX-KRWDZBQOSA-N 0 0 491.401 4.833 40 0 JJABRN COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408630133 569982134 /nfs/dbraw/zinc/98/21/34/569982134.db2.gz OCZCQHWMRBRFPB-UHFFFAOYSA-N 0 0 465.015 4.773 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000225200957 569982130 /nfs/dbraw/zinc/98/21/30/569982130.db2.gz WSAXFUUNBDEQSA-QGZVFWFLSA-N 0 0 475.402 4.997 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000225205084 569982387 /nfs/dbraw/zinc/98/23/87/569982387.db2.gz SEDPQRCYXALEIR-UXHICEINSA-N 0 0 458.996 4.559 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 ZINC000225209931 569982642 /nfs/dbraw/zinc/98/26/42/569982642.db2.gz QREDVGDMVHOPFZ-KAYWLYCHSA-N 0 0 497.624 4.943 40 0 JJABRN CCOC(=O)c1cc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1Cl ZINC000225210424 569982664 /nfs/dbraw/zinc/98/26/64/569982664.db2.gz RGDMOWZCDPLPMK-UHFFFAOYSA-N 0 0 487.405 4.663 40 0 JJABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000225214776 569983028 /nfs/dbraw/zinc/98/30/28/569983028.db2.gz VWWAUFXEFNEZRH-HSZRJFAPSA-N 0 0 461.002 4.841 40 0 JJABRN S=C(NCCNc1ccnc2cc(Cl)ccc21)Nc1ccc(Oc2ccccc2)nn1 ZINC000225221523 569983408 /nfs/dbraw/zinc/98/34/08/569983408.db2.gz UYGHALPOPLCGPY-UHFFFAOYSA-N 0 0 450.955 4.869 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 ZINC000225229601 569984309 /nfs/dbraw/zinc/98/43/09/569984309.db2.gz SUBQSHMFAJXNBP-UIOOFZCWSA-N 0 0 483.597 4.634 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C ZINC000225230606 569984418 /nfs/dbraw/zinc/98/44/18/569984418.db2.gz NCSQTSRQKGRWKD-LJQANCHMSA-N 0 0 475.427 4.778 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl ZINC000225232788 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CSETYBDHOOVGOO-FQEVSTJZSA-N 0 0 461.537 4.862 40 0 JJABRN O=C(N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257216309 570113006 /nfs/dbraw/zinc/11/30/06/570113006.db2.gz CTYMVTUXBCBDHZ-NRFANRHFSA-N 0 0 464.993 4.654 40 0 JJABRN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000409058908 570113052 /nfs/dbraw/zinc/11/30/52/570113052.db2.gz ZKCBHALVAVUMMF-UHFFFAOYSA-N 0 0 478.405 4.574 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000409058659 570113054 /nfs/dbraw/zinc/11/30/54/570113054.db2.gz SKPNQZHQJFKVOA-UHFFFAOYSA-N 0 0 460.405 4.503 40 0 JJABRN O=C(N1CCOC[C@H](Cc2ccc3ccncc3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257216310 570113053 /nfs/dbraw/zinc/11/30/53/570113053.db2.gz CTYMVTUXBCBDHZ-OAQYLSRUSA-N 0 0 464.993 4.654 40 0 JJABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C(C)(C)NC(=O)c3ccccc3)C2)n1 ZINC000257216653 570113153 /nfs/dbraw/zinc/11/31/53/570113153.db2.gz CVNOWVZHRXXIAY-OAQYLSRUSA-N 0 0 457.574 4.672 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409059124 570113190 /nfs/dbraw/zinc/11/31/90/570113190.db2.gz PNGSRYWQZAEOSP-QHCPKHFHSA-N 0 0 495.649 4.781 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409059611 570113395 /nfs/dbraw/zinc/11/33/95/570113395.db2.gz SMJMDZZBTVMYDW-JOCHJYFZSA-N 0 0 465.623 4.773 40 0 JJABRN O=C(CC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1)Nc1ccc2nccnc2c1 ZINC000257217876 570113438 /nfs/dbraw/zinc/11/34/38/570113438.db2.gz DAYUXCCUOXHXEE-UHFFFAOYSA-N 0 0 460.553 4.848 40 0 JJABRN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257218236 570113623 /nfs/dbraw/zinc/11/36/23/570113623.db2.gz DCIZMTHPJCJNMT-QFIPXVFZSA-N 0 0 453.546 4.842 40 0 JJABRN CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409061356 570114506 /nfs/dbraw/zinc/11/45/06/570114506.db2.gz DHKAQSIJNFANIX-DWLFOUALSA-N 0 0 471.671 4.521 40 0 JJABRN COc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1Cl 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DIDDWNBELNUEJQ-LJQANCHMSA-N 0 0 456.388 5.090 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc2ccccc21 ZINC000409237788 570180598 /nfs/dbraw/zinc/18/05/98/570180598.db2.gz JMBRVHYCUUAQQF-UHFFFAOYSA-N 0 0 458.583 4.932 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409240855 570181903 /nfs/dbraw/zinc/18/19/03/570181903.db2.gz QFPMQDIYNGNFSR-QGZVFWFLSA-N 0 0 472.994 4.959 40 0 JJABRN CCCN1C(=O)S/C(=C/c2cc(I)c(OC(C)C)c(OCC)c2)C1=O ZINC000409241415 570182088 /nfs/dbraw/zinc/18/20/88/570182088.db2.gz NEUMVXXXEKZLLF-XNTDXEJSSA-N 0 0 475.348 4.923 40 0 JJABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cc1OC ZINC000329026589 570182172 /nfs/dbraw/zinc/18/21/72/570182172.db2.gz PNJLOOLXRSMUFV-LJQANCHMSA-N 0 0 492.498 5.232 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329026099 570182186 /nfs/dbraw/zinc/18/21/86/570182186.db2.gz PJUNGNHTBFZKMU-SFHVURJKSA-N 0 0 451.880 5.383 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329034362 570182530 /nfs/dbraw/zinc/18/25/30/570182530.db2.gz QYPFIRRLFVVUGO-LJQANCHMSA-N 0 0 450.436 5.354 40 0 JJABRN Clc1cc(I)ccc1Nc1cc(-c2ccccn2)nc(NC2CCCC2)n1 ZINC000329039783 570182788 /nfs/dbraw/zinc/18/27/88/570182788.db2.gz SAEDLRNLFLYKLL-UHFFFAOYSA-N 0 0 491.764 4.739 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1OC(C)C ZINC000409243073 570182818 /nfs/dbraw/zinc/18/28/18/570182818.db2.gz VGFKBEYSMGBCLM-UDWIEESQSA-N 0 0 485.968 4.620 40 0 JJABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCO)n1 ZINC000329044338 570182916 /nfs/dbraw/zinc/18/29/16/570182916.db2.gz SWPSIEDFGCFBET-UHFFFAOYSA-N 0 0 488.388 5.397 40 0 JJABRN CC[C@H](C)Nc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)n1 ZINC000329050843 570183011 /nfs/dbraw/zinc/18/30/11/570183011.db2.gz UVASKZDTRHBTEP-ZDUSSCGKSA-N 0 0 462.310 4.685 40 0 JJABRN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329049085 570183014 /nfs/dbraw/zinc/18/30/14/570183014.db2.gz UOFKGJJNCXYLBQ-IBGZPJMESA-N 0 0 456.388 5.090 40 0 JJABRN OCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329055329 570183171 /nfs/dbraw/zinc/18/31/71/570183171.db2.gz VMRHIHDOVPNFQM-UHFFFAOYSA-N 0 0 492.807 4.706 40 0 JJABRN Ic1ccccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000329070286 570183793 /nfs/dbraw/zinc/18/37/93/570183793.db2.gz ZFTKSILGSCZJQF-UHFFFAOYSA-N 0 0 456.331 4.690 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1 ZINC000408526978 570186279 /nfs/dbraw/zinc/18/62/79/570186279.db2.gz CYFKABWIFKNIKM-UHFFFAOYSA-N 0 0 487.021 4.636 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1cccc(Cl)c1Cl ZINC000408528538 570186767 /nfs/dbraw/zinc/18/67/67/570186767.db2.gz GMMQXWCOFXHDMH-UHFFFAOYSA-N 0 0 477.797 4.839 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000409260318 570187350 /nfs/dbraw/zinc/18/73/50/570187350.db2.gz OOUMRJWOJZTFMC-UHFFFAOYSA-N 0 0 465.786 4.599 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000409259640 570187451 /nfs/dbraw/zinc/18/74/51/570187451.db2.gz BVEINFFHCXKMGO-UHFFFAOYSA-N 0 0 498.910 4.855 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(C)cc1 ZINC000409262016 570187619 /nfs/dbraw/zinc/18/76/19/570187619.db2.gz HCMQBESIZNHCRL-UHFFFAOYSA-N 0 0 456.589 4.560 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Cl)c2)cc1C ZINC000408531045 570187765 /nfs/dbraw/zinc/18/77/65/570187765.db2.gz LQNPFGIIMYVJKI-UHFFFAOYSA-N 0 0 472.994 4.529 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000409264771 570188171 /nfs/dbraw/zinc/18/81/71/570188171.db2.gz QAOZLRMMZPYXSU-UHFFFAOYSA-N 0 0 477.007 4.558 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 ZINC000408532144 570188368 /nfs/dbraw/zinc/18/83/68/570188368.db2.gz NJQYNLJEIUMDQM-FQEVSTJZSA-N 0 0 495.472 4.875 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000409267891 570188730 /nfs/dbraw/zinc/18/87/30/570188730.db2.gz PQYGUHQVCRYBKF-UHFFFAOYSA-N 0 0 486.615 4.568 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000409268547 570188868 /nfs/dbraw/zinc/18/88/68/570188868.db2.gz VNLXPTDPOQJNGA-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000408542573 570191860 /nfs/dbraw/zinc/19/18/60/570191860.db2.gz KEZWPVJRXUUCLN-UHFFFAOYSA-N 0 0 467.776 4.643 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000408542720 570191864 /nfs/dbraw/zinc/19/18/64/570191864.db2.gz AACHRVIFJSFVAW-UHFFFAOYSA-N 0 0 479.602 4.886 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2C)c1 ZINC000408542833 570191943 /nfs/dbraw/zinc/19/19/43/570191943.db2.gz AVWWAJJKMZLKAB-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1cc(Cl)cc(Cl)c1 ZINC000408544294 570192390 /nfs/dbraw/zinc/19/23/90/570192390.db2.gz VEABKCXYHFDUDV-UHFFFAOYSA-N 0 0 474.167 4.977 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000408545100 570192646 /nfs/dbraw/zinc/19/26/46/570192646.db2.gz OVOSRIMXHJSQLE-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C)c1 ZINC000408545008 570192668 /nfs/dbraw/zinc/19/26/68/570192668.db2.gz LRKCZUSQEZVYPS-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408545614 570192930 /nfs/dbraw/zinc/19/29/30/570192930.db2.gz LOUSUWFJXFVUPA-QUGAMOGWSA-N 0 0 477.586 4.834 40 0 JJABRN O=C(CN1CCN(c2ccccc2)CC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408546580 570193428 /nfs/dbraw/zinc/19/34/28/570193428.db2.gz FLVLXGRXZQFCFX-UHFFFAOYSA-N 0 0 474.630 4.640 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000408546749 570193543 /nfs/dbraw/zinc/19/35/43/570193543.db2.gz UYXCCBLWHRZWKY-HNNXBMFYSA-N 0 0 475.463 4.506 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1C ZINC000408547646 570193766 /nfs/dbraw/zinc/19/37/66/570193766.db2.gz KPEUGRNBVQAGGO-UHFFFAOYSA-N 0 0 466.559 4.760 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408548501 570194179 /nfs/dbraw/zinc/19/41/79/570194179.db2.gz HVUGICTWDAUCLB-CIAFOILYSA-N 0 0 494.931 4.537 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1Cl ZINC000408548467 570194210 /nfs/dbraw/zinc/19/42/10/570194210.db2.gz SELRNDFTBCFHPM-UHFFFAOYSA-N 0 0 480.995 4.567 40 0 JJABRN CC(C)C(NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)C(C)C ZINC000408548482 570194237 /nfs/dbraw/zinc/19/42/37/570194237.db2.gz SOMADCHPHILCKR-UHFFFAOYSA-N 0 0 460.684 4.717 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1NC(=O)c1cccc(Cl)c1 ZINC000408551775 570195370 /nfs/dbraw/zinc/19/53/70/570195370.db2.gz MNXOISDTUGDOID-UHFFFAOYSA-N 0 0 456.951 4.742 40 0 JJABRN COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552519 570195549 /nfs/dbraw/zinc/19/55/49/570195549.db2.gz QLIHDVAVEGEEBP-UHFFFAOYSA-N 0 0 465.358 4.733 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3Br)o2)C1=O)N1CCCC1 ZINC000408553060 570195738 /nfs/dbraw/zinc/19/57/38/570195738.db2.gz WMHAATCZRUVCFT-LICLKQGHSA-N 0 0 479.327 4.507 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(CC)cccc3CC)C2)cc1C ZINC000408553972 570196127 /nfs/dbraw/zinc/19/61/27/570196127.db2.gz AMZKNSSAXHZWMH-OAQYLSRUSA-N 0 0 458.624 4.558 40 0 JJABRN C[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408554381 570196199 /nfs/dbraw/zinc/19/61/99/570196199.db2.gz COASHBWQHZOSCD-LJQANCHMSA-N 0 0 456.995 4.724 40 0 JJABRN C[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408554377 570196233 /nfs/dbraw/zinc/19/62/33/570196233.db2.gz COASHBWQHZOSCD-IBGZPJMESA-N 0 0 456.995 4.724 40 0 JJABRN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1cc(Br)ccc1Br ZINC000408554477 570196316 /nfs/dbraw/zinc/19/63/16/570196316.db2.gz FBQPLXAAWUKIMY-UHFFFAOYSA-N 0 0 493.184 4.762 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408554941 570196638 /nfs/dbraw/zinc/19/66/38/570196638.db2.gz VTRLCWFOFWXSQK-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000408555383 570196818 /nfs/dbraw/zinc/19/68/18/570196818.db2.gz WXXOFDILCWISEZ-UHFFFAOYSA-N 0 0 495.782 4.921 40 0 JJABRN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408555589 570196940 /nfs/dbraw/zinc/19/69/40/570196940.db2.gz GLZZFVBHGFSEMD-JTQLQIEISA-N 0 0 466.184 4.549 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000408555659 570196957 /nfs/dbraw/zinc/19/69/57/570196957.db2.gz GYIYVKBCBXHNNK-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408555631 570196976 /nfs/dbraw/zinc/19/69/76/570196976.db2.gz BGGREINJFBBVGM-UHFFFAOYSA-N 0 0 480.464 4.532 40 0 JJABRN COc1ccc(S(=O)(=O)NC2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408556677 570197633 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JJABRN Cc1ccc(C(c2ccc(C)c(C)c2)[C@H](c2ccc(C)c(C)c2)[C@@H](O)[C@H](O)[C@H](O)CO)cc1C ZINC000001686592 194131419 /nfs/dbraw/zinc/13/14/19/194131419.db2.gz DRSASEBSVTYSLX-RRFVUZEHSA-N 0 0 462.630 4.528 40 0 JJABRN O=C(NCc1ccccc1Cl)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000003012214 194205856 /nfs/dbraw/zinc/20/58/56/194205856.db2.gz OJJZGFKYJWMXCW-KXBFYZLASA-N 0 0 478.858 4.856 40 0 JJABRN O=c1[nH]c(Sc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003020474 194208399 /nfs/dbraw/zinc/20/83/99/194208399.db2.gz MEOJPJOKYCASRQ-UHFFFAOYSA-N 0 0 466.444 4.792 40 0 JJABRN C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4cccs4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840828 194362871 /nfs/dbraw/zinc/36/28/71/194362871.db2.gz ZXFKINYVRGUSLE-VDYJWFHISA-N 0 0 487.691 4.768 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(O)c23)cc1 ZINC000003849266 194364578 /nfs/dbraw/zinc/36/45/78/194364578.db2.gz BAEKZKFUOAAURM-UNMCSNQZSA-N 0 0 494.334 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ZINC000012645852 195074503 /nfs/dbraw/zinc/07/45/03/195074503.db2.gz NVKLLEUIYJMYJX-UHFFFAOYSA-N 0 0 458.489 4.589 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1cnccn1)c1ccc(Cl)cc1 ZINC000012635096 195066623 /nfs/dbraw/zinc/06/66/23/195066623.db2.gz GBRGCYGWCLXZRF-OAQYLSRUSA-N 0 0 454.933 4.962 40 0 JJABRN COCCN(C(=O)COc1c(C)cccc1C)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000012710394 195094676 /nfs/dbraw/zinc/09/46/76/195094676.db2.gz IGXZHNIHNCZUIN-UHFFFAOYSA-N 0 0 456.564 4.503 40 0 JJABRN COCCCN(C(=O)COc1ccccc1C)c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000012710417 195094727 /nfs/dbraw/zinc/09/47/27/195094727.db2.gz XWKNVPGWLXTBDQ-UHFFFAOYSA-N 0 0 456.564 4.584 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012712383 195095438 /nfs/dbraw/zinc/09/54/38/195095438.db2.gz GRHHDXBWICWZLW-GDLZYMKVSA-N 0 0 497.643 4.715 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1 ZINC000012712673 195095752 /nfs/dbraw/zinc/09/57/52/195095752.db2.gz TWSOYGNGASPKFM-MUUNZHRXSA-N 0 0 483.616 4.985 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000012713297 195095925 /nfs/dbraw/zinc/09/59/25/195095925.db2.gz FCEGUISGQWLDPY-AREMUKBSSA-N 0 0 473.552 4.507 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000012713243 195095949 /nfs/dbraw/zinc/09/59/49/195095949.db2.gz UPZKTGPKCOWLKO-NDEPHWFRSA-N 0 0 483.616 4.672 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000012713249 195096002 /nfs/dbraw/zinc/09/60/02/195096002.db2.gz UPZKTGPKCOWLKO-MUUNZHRXSA-N 0 0 483.616 4.672 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000012713459 195096189 /nfs/dbraw/zinc/09/61/89/195096189.db2.gz YWKPOWRSSBOXMA-NDEPHWFRSA-N 0 0 483.616 4.931 40 0 JJABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000012713419 195096212 /nfs/dbraw/zinc/09/62/12/195096212.db2.gz YUPKQVMURSXTLW-NDEPHWFRSA-N 0 0 499.615 4.767 40 0 JJABRN COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000012713333 195096259 /nfs/dbraw/zinc/09/62/59/195096259.db2.gz QMOGWATZFCMVLW-NDEPHWFRSA-N 0 0 499.615 4.685 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccccc2)c1C ZINC000012713500 195096275 /nfs/dbraw/zinc/09/62/75/195096275.db2.gz HIKDSWCMYIEFRO-NDEPHWFRSA-N 0 0 483.616 4.985 40 0 JJABRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2)c1 ZINC000012713351 195096342 /nfs/dbraw/zinc/09/63/42/195096342.db2.gz SMVFUYSWVYVPPA-MUUNZHRXSA-N 0 0 497.599 4.571 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccccc2F)c(C)c1 ZINC000012713769 195096482 /nfs/dbraw/zinc/09/64/82/195096482.db2.gz AGUSILAKGVOGHA-AREMUKBSSA-N 0 0 487.579 4.876 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1 ZINC000012714104 195096530 /nfs/dbraw/zinc/09/65/30/195096530.db2.gz URTLVJPLDFWEMZ-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN 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SLXIVGOSELDXOB-QHCPKHFHSA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000044880023 522885667 /nfs/dbraw/zinc/88/56/67/522885667.db2.gz UUFCSNJYGBMASQ-QFIPXVFZSA-N 0 0 474.966 4.946 40 0 JJABRN COc1cc2c(cc1OC)n(Cc1cccc(Cl)c1)c(=O)n(-c1cccc(Cl)c1)c2=O ZINC000013634549 523054532 /nfs/dbraw/zinc/05/45/32/523054532.db2.gz MSJTUGWGLYKUKL-UHFFFAOYSA-N 0 0 457.313 4.525 40 0 JJABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000044900672 523059734 /nfs/dbraw/zinc/05/97/34/523059734.db2.gz CZEHWZBRRUWUCH-HSZRJFAPSA-N 0 0 476.573 4.781 40 0 JJABRN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cn3cc(Cl)cn3)n2)cc1OC ZINC000022536868 523083497 /nfs/dbraw/zinc/08/34/97/523083497.db2.gz ADQSCSQJUHMHDH-UHFFFAOYSA-N 0 0 454.914 4.607 40 0 JJABRN COc1ccc(-c2csc(NC(=S)NC(=O)COc3ccccc3C)n2)cc1Br ZINC000016363013 523170830 /nfs/dbraw/zinc/17/08/30/523170830.db2.gz WNJXCLSBBCQAOT-UHFFFAOYSA-N 0 0 492.420 4.782 40 0 JJABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004388786 523201011 /nfs/dbraw/zinc/20/10/11/523201011.db2.gz DZEFKKVBCUYXFN-UHFFFAOYSA-N 0 0 497.675 4.851 40 0 JJABRN COc1ccc(-c2nc3c(n2C(C)=O)SC(c2ccc(Br)cc2)=NN3C(C)=O)cc1 ZINC000016807283 523225906 /nfs/dbraw/zinc/22/59/06/523225906.db2.gz CQNGYUYYTQCSNJ-UHFFFAOYSA-N 0 0 485.363 4.802 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020487830 523227236 /nfs/dbraw/zinc/22/72/36/523227236.db2.gz VOZVBWJEMRYSQX-UHFFFAOYSA-N 0 0 460.958 4.718 40 0 JJABRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1c(OC)cccc1OC ZINC000022572246 523232266 /nfs/dbraw/zinc/23/22/66/523232266.db2.gz SZONOHWXXZFBTH-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1OC ZINC000014876955 523281874 /nfs/dbraw/zinc/28/18/74/523281874.db2.gz HJQUAECLPNFCBO-UHFFFAOYSA-N 0 0 459.502 4.904 40 0 JJABRN COc1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000020025118 523722002 /nfs/dbraw/zinc/72/20/02/523722002.db2.gz MEWKFVZAIHBQDM-INIZCTEOSA-N 0 0 495.439 4.513 40 0 JJABRN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn32)cc1OC ZINC000022760674 523779575 /nfs/dbraw/zinc/77/95/75/523779575.db2.gz KTHPHUOVUGSNOP-UHFFFAOYSA-N 0 0 463.921 4.984 40 0 JJABRN CCc1cc(I)ccc1NC(=O)c1cccc(I)c1 ZINC000016161273 523787623 /nfs/dbraw/zinc/78/76/23/523787623.db2.gz ZDUNCNWJJQAASZ-UHFFFAOYSA-N 0 0 477.083 4.711 40 0 JJABRN CN(C(=O)CSC1=N[C@H]2[C@@H](N=N1)c1cc(Br)ccc1N2C)C1CCCCC1 ZINC000013150629 523836373 /nfs/dbraw/zinc/83/63/73/523836373.db2.gz LYJGAMSVLQTNAC-ZWKOTPCHSA-N 0 0 450.406 4.612 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)Cc1ccccc1 ZINC000022536129 523847350 /nfs/dbraw/zinc/84/73/50/523847350.db2.gz WOZFUANKGBNADO-QHCPKHFHSA-N 0 0 494.657 4.997 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000012490251 523956902 /nfs/dbraw/zinc/95/69/02/523956902.db2.gz UWAOBFHLABVOEY-DEOSSOPVSA-N 0 0 477.630 4.730 40 0 JJABRN CCc1ccc(N2C(=O)C[C@H](N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000014944085 523962690 /nfs/dbraw/zinc/96/26/90/523962690.db2.gz BPNZFJILJHYTMU-MHZLTWQESA-N 0 0 468.597 4.529 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000020466390 524062502 /nfs/dbraw/zinc/06/25/02/524062502.db2.gz NRKACWJUXQJSGN-VTCSNHFDSA-N 0 0 486.697 4.692 40 0 biogenic,in-vitro JJABRN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000022513956 524062602 /nfs/dbraw/zinc/06/26/02/524062602.db2.gz QISHUNRTDGUQOZ-UHFFFAOYSA-N 0 0 479.440 4.500 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000044841093 524216693 /nfs/dbraw/zinc/21/66/93/524216693.db2.gz AIKKPJUROSQDAN-KOSHJBKYSA-N 0 0 487.021 4.717 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc1C ZINC000022537340 524328946 /nfs/dbraw/zinc/32/89/46/524328946.db2.gz PBWPOBGRXYWOOZ-OAQYLSRUSA-N 0 0 466.603 4.977 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1C ZINC000022537455 524329190 /nfs/dbraw/zinc/32/91/90/524329190.db2.gz OVRGAAJYCSWEND-LJQANCHMSA-N 0 0 479.042 4.696 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022539700 524329457 /nfs/dbraw/zinc/32/94/57/524329457.db2.gz ZLAKDRSBFRLPJS-NLFFAJNJSA-N 0 0 468.594 4.518 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1C ZINC000022605983 524332087 /nfs/dbraw/zinc/33/20/87/524332087.db2.gz TXBKUFPLFAHDIP-NRFANRHFSA-N 0 0 498.620 4.973 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1C ZINC000022539941 524333864 /nfs/dbraw/zinc/33/38/64/524333864.db2.gz YWRGMPFGNPOZCN-OALUTQOASA-N 0 0 493.467 4.652 40 0 JJABRN COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1OC ZINC000013497776 524335721 /nfs/dbraw/zinc/33/57/21/524335721.db2.gz XOWFPJZLWUNLIY-VWLOTQADSA-N 0 0 479.602 4.536 40 0 JJABRN Cc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000013646144 524350482 /nfs/dbraw/zinc/35/04/82/524350482.db2.gz PLDUOSSJEVONAC-OAQYLSRUSA-N 0 0 466.603 4.691 40 0 JJABRN Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000020489497 524351562 /nfs/dbraw/zinc/35/15/62/524351562.db2.gz RTFKYNMXQGLQTH-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429594 524362190 /nfs/dbraw/zinc/36/21/90/524362190.db2.gz SCGUTSJBOHVYBM-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430556 524363446 /nfs/dbraw/zinc/36/34/46/524363446.db2.gz NPRNGVJTYRVWSO-UHFFFAOYSA-N 0 0 450.604 4.774 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429477 524364925 /nfs/dbraw/zinc/36/49/25/524364925.db2.gz GFEBJJLMIGNJIR-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044899771 524429018 /nfs/dbraw/zinc/42/90/18/524429018.db2.gz WUGXXULQNAQAKD-UHFFFAOYSA-N 0 0 493.412 4.856 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c1 ZINC000040399445 524431952 /nfs/dbraw/zinc/43/19/52/524431952.db2.gz SGNIQFAXRXWEEC-MRXNPFEDSA-N 0 0 472.332 4.502 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000020492990 524433004 /nfs/dbraw/zinc/43/30/04/524433004.db2.gz GENVYGCGYVCNQJ-UHFFFAOYSA-N 0 0 452.576 4.693 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000022515734 524433500 /nfs/dbraw/zinc/43/35/00/524433500.db2.gz DKUJLZDEOWGGLP-UHFFFAOYSA-N 0 0 452.576 4.693 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1C ZINC000013506604 524509230 /nfs/dbraw/zinc/50/92/30/524509230.db2.gz UMQCUDNIYBLXQD-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1C ZINC000013506432 524509303 /nfs/dbraw/zinc/50/93/03/524509303.db2.gz LSJKXJIQILLCLV-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN COc1ccccc1NC(=O)COc1cc(Br)c(CNCc2ccccc2)cc1OC ZINC000016248116 524595245 /nfs/dbraw/zinc/59/52/45/524595245.db2.gz AMPBIZFVHKHNIH-UHFFFAOYSA-N 0 0 485.378 4.774 40 0 JJABRN Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Br)cc3)n2C)c1C ZINC000014127011 524604399 /nfs/dbraw/zinc/60/43/99/524604399.db2.gz ACFSHTTVDCISOW-UHFFFAOYSA-N 0 0 461.385 4.504 40 0 JJABRN COc1ccc(NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 ZINC000006075204 524609492 /nfs/dbraw/zinc/60/94/92/524609492.db2.gz KMWUCULNKGFBFZ-QFIPXVFZSA-N 0 0 485.581 4.624 40 0 JJABRN COc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000012467945 524624963 /nfs/dbraw/zinc/62/49/63/524624963.db2.gz KJJZKWOUHLHRIM-IFXJQAMLSA-N 0 0 460.412 4.533 40 0 JJABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022512765 524632424 /nfs/dbraw/zinc/63/24/24/524632424.db2.gz JICKNAMAELCGFN-FQEVSTJZSA-N 0 0 456.652 4.712 40 0 JJABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022512761 524632825 /nfs/dbraw/zinc/63/28/25/524632825.db2.gz JICKNAMAELCGFN-HXUWFJFHSA-N 0 0 456.652 4.712 40 0 JJABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)CC2)cc1 ZINC000044950027 524633097 /nfs/dbraw/zinc/63/30/97/524633097.db2.gz CYLFWUYWTBJKNS-HHHXNRCGSA-N 0 0 476.642 4.751 40 0 JJABRN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000028304770 524679464 /nfs/dbraw/zinc/67/94/64/524679464.db2.gz DQNILRVRSOGVDQ-RBUKOAKNSA-N 0 0 453.608 4.911 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1 ZINC000022527036 524692956 /nfs/dbraw/zinc/69/29/56/524692956.db2.gz RFTPIJOZPPDNCI-UHFFFAOYSA-N 0 0 460.552 4.507 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 ZINC000022716364 524724343 /nfs/dbraw/zinc/72/43/43/524724343.db2.gz VIUINPQBUOVAEA-OAHLLOKOSA-N 0 0 479.627 4.678 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)c1 ZINC000016768193 524851870 /nfs/dbraw/zinc/85/18/70/524851870.db2.gz HVTVULBPCPLDTD-UHFFFAOYSA-N 0 0 466.437 4.730 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000013562455 524851973 /nfs/dbraw/zinc/85/19/73/524851973.db2.gz LUYXQWVPTUBVLM-QZTJIDSGSA-N 0 0 496.633 4.574 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1C ZINC000013506769 524876346 /nfs/dbraw/zinc/87/63/46/524876346.db2.gz KHJJOGGLWVKKNO-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1 ZINC000013497824 524881306 /nfs/dbraw/zinc/88/13/06/524881306.db2.gz ZPEZYOMFFAPYHI-SANMLTNESA-N 0 0 493.629 4.532 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022429280 524888431 /nfs/dbraw/zinc/88/84/31/524888431.db2.gz BDBNXWUDHLDNGU-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022530958 524889736 /nfs/dbraw/zinc/88/97/36/524889736.db2.gz QKZPRTXWMSWZQX-UHFFFAOYSA-N 0 0 460.958 4.641 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000020042781 524891959 /nfs/dbraw/zinc/89/19/59/524891959.db2.gz ILFBKPHKRPAVMY-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044847077 524894253 /nfs/dbraw/zinc/89/42/53/524894253.db2.gz QMNJJGAPWMFMIK-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 ZINC000020491247 524895400 /nfs/dbraw/zinc/89/54/00/524895400.db2.gz JHIYNBKAYBRESC-UHFFFAOYSA-N 0 0 478.614 4.928 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044849720 524913133 /nfs/dbraw/zinc/91/31/33/524913133.db2.gz KRYVFMYMYSONGK-AWEZNQCLSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc12 ZINC000016284021 524920267 /nfs/dbraw/zinc/92/02/67/524920267.db2.gz PARIACIBVWBWTQ-UHFFFAOYSA-N 0 0 460.361 4.830 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535835 524947057 /nfs/dbraw/zinc/94/70/57/524947057.db2.gz RSUVPYPOMSTRFD-INIZCTEOSA-N 0 0 478.948 4.687 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1Cl ZINC000020448177 525005958 /nfs/dbraw/zinc/00/59/58/525005958.db2.gz QJVOEXHMWXPVNF-UHFFFAOYSA-N 0 0 464.996 4.624 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1 ZINC000022535634 525009619 /nfs/dbraw/zinc/00/96/19/525009619.db2.gz KCLPYWTXSPIBSZ-QFIPXVFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1C ZINC000022536138 525009772 /nfs/dbraw/zinc/00/97/72/525009772.db2.gz UAONVXONXPYKES-QHCPKHFHSA-N 0 0 494.657 4.997 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000013682349 525028660 /nfs/dbraw/zinc/02/86/60/525028660.db2.gz 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ZINC000044946723 525300991 /nfs/dbraw/zinc/30/09/91/525300991.db2.gz BVIYPLFXUICHGF-UHFFFAOYSA-N 0 0 498.004 4.824 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000016293447 525301568 /nfs/dbraw/zinc/30/15/68/525301568.db2.gz UOGAQQNCNZRZFF-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022430520 525303362 /nfs/dbraw/zinc/30/33/62/525303362.db2.gz QCNIJVOFEZHHDZ-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010578 525303660 /nfs/dbraw/zinc/30/36/60/525303660.db2.gz KOTGCAUCQCWHTG-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020459797 525305233 /nfs/dbraw/zinc/30/52/33/525305233.db2.gz RMVJBQCJEHJQEJ-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000020453523 525314615 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Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(C)c(C)c2)cc1 ZINC000022430590 525507783 /nfs/dbraw/zinc/50/77/83/525507783.db2.gz MTRQKMVTHKPLTE-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccc(C)cc2C)cc1 ZINC000022430364 525509856 /nfs/dbraw/zinc/50/98/56/525509856.db2.gz WZWMGGWTOFCBTI-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)Oc3ccccc32)cc1 ZINC000044880628 525557758 /nfs/dbraw/zinc/55/77/58/525557758.db2.gz WQCCUOYOQVKVOJ-JYFHCDHNSA-N 0 0 478.614 4.855 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(Cl)c2)cc1 ZINC000020495182 525597167 /nfs/dbraw/zinc/59/71/67/525597167.db2.gz SCGZMRIUTYBPGH-UHFFFAOYSA-N 0 0 487.984 4.551 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSc3ccccc3)cc2Cl)cc1 ZINC000020488897 525599526 /nfs/dbraw/zinc/59/95/26/525599526.db2.gz KGDNASAURCLYDH-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN Cc1ccc(S[C@@]2(CN3CCOCC3)COc3cc(C)c(Br)cc3C2=O)cc1 ZINC000016310891 525666305 /nfs/dbraw/zinc/66/63/05/525666305.db2.gz XZXVFPLXZJNBNF-QFIPXVFZSA-N 0 0 462.409 4.504 40 0 JJABRN Cc1ccc(S[C@]2(CO)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000016310844 525669023 /nfs/dbraw/zinc/66/90/23/525669023.db2.gz RHIMPESOZOXAJH-QGZVFWFLSA-N 0 0 458.171 4.619 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(F)c2)o1 ZINC000013507555 525678465 /nfs/dbraw/zinc/67/84/65/525678465.db2.gz ROXMGDHHQFQOLX-VWLOTQADSA-N 0 0 495.551 4.582 40 0 JJABRN Cc1cc2sc(NC(=S)NC(=O)c3cccc(I)c3)nc2cc1Cl ZINC000016284311 525702250 /nfs/dbraw/zinc/70/22/50/525702250.db2.gz APUFUXSDMJVYIE-UHFFFAOYSA-N 0 0 487.775 4.990 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044838829 525768144 /nfs/dbraw/zinc/76/81/44/525768144.db2.gz LQQZGTPIGNUGII-SANMLTNESA-N 0 0 450.604 4.790 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030847718 525769943 /nfs/dbraw/zinc/76/99/43/525769943.db2.gz YQWVSIUQRRCVHB-OFVILXPXSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501819 525872420 /nfs/dbraw/zinc/87/24/20/525872420.db2.gz BMYMRKQAGNVOEE-XMMPIXPASA-N 0 0 492.645 4.855 40 0 JJABRN COc1cccc(CCCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020459417 525889598 /nfs/dbraw/zinc/88/95/98/525889598.db2.gz VPTZFMSDKUKSFQ-UHFFFAOYSA-N 0 0 458.967 4.512 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(C)c1 ZINC000044901970 525908319 /nfs/dbraw/zinc/90/83/19/525908319.db2.gz QFWORQXOJKAFQL-MHECFPHRSA-N 0 0 485.005 4.791 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000030850437 525908720 /nfs/dbraw/zinc/90/87/20/525908720.db2.gz POOVZCXTJGRUCK-LPHOPBHVSA-N 0 0 469.434 4.721 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036107356 525965994 /nfs/dbraw/zinc/96/59/94/525965994.db2.gz PPKXEIHIMSSBAE-WZONZLPQSA-N 0 0 456.995 4.709 40 0 JJABRN C[C@@H](Sc1nnc(-c2ccco2)c(-c2ccco2)n1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000013566444 526008983 /nfs/dbraw/zinc/00/89/83/526008983.db2.gz CQGLQBSJXRAACT-OAHLLOKOSA-N 0 0 460.515 4.882 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000020017963 526056333 /nfs/dbraw/zinc/05/63/33/526056333.db2.gz HDLCHWDJDBIWGZ-CQSZACIVSA-N 0 0 487.474 4.993 40 0 JJABRN COc1cccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)c(=O)n2-n2cccc2)c1 ZINC000028536463 526069758 /nfs/dbraw/zinc/06/97/58/526069758.db2.gz CJCQTONRCZODIG-UHFFFAOYSA-N 0 0 489.479 4.694 40 0 JJABRN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c2n1 ZINC000036259812 526131952 /nfs/dbraw/zinc/13/19/52/526131952.db2.gz IUPPYMDVWUVKLO-YEWDVWPNSA-N 0 0 453.366 4.713 40 0 JJABRN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2n1 ZINC000036259820 526132641 /nfs/dbraw/zinc/13/26/41/526132641.db2.gz IUPPYMDVWUVKLO-IAISJRAMSA-N 0 0 453.366 4.713 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 ZINC000022572231 526215986 /nfs/dbraw/zinc/21/59/86/526215986.db2.gz GHAOZUFFGJIVHE-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1S(=O)(=O)N1CCCCC1 ZINC000014582713 526230010 /nfs/dbraw/zinc/23/00/10/526230010.db2.gz YFPZHCRXVDSJGX-UHFFFAOYSA-N 0 0 488.660 4.566 40 0 JJABRN O=C(CCC(=O)N([C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1)C1CCCCC1)Nc1nccs1 ZINC000013501689 526376427 /nfs/dbraw/zinc/37/64/27/526376427.db2.gz ZZGRTFCUVVOFTR-XMMPIXPASA-N 0 0 498.649 4.529 40 0 JJABRN Fc1cccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013561796 526399266 /nfs/dbraw/zinc/39/92/66/526399266.db2.gz UGXGVOOHSWXJHO-JOCHJYFZSA-N 0 0 474.506 4.858 40 0 JJABRN O=C(NCCc1ccccc1)c1noc(C(=O)NCCc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000095115636 526428519 /nfs/dbraw/zinc/42/85/19/526428519.db2.gz CKXDMHFQKMSKTH-UHFFFAOYSA-N 0 0 473.960 4.940 40 0 JJABRN O=C(CN1CCN(c2ccccc2F)CC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000013465313 526782511 /nfs/dbraw/zinc/78/25/11/526782511.db2.gz MQJIDPLZXSTWBT-UHFFFAOYSA-N 0 0 477.605 4.758 40 0 JJABRN O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000004237431 526795491 /nfs/dbraw/zinc/79/54/91/526795491.db2.gz MVDCQDDBVPBASU-QFBILLFUSA-N 0 0 454.448 4.673 40 0 biogenic,in-vitro JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016428968 526965713 /nfs/dbraw/zinc/96/57/13/526965713.db2.gz SLSHJBRKBHWXGM-UHFFFAOYSA-N 0 0 457.379 4.622 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000016490396 526967869 /nfs/dbraw/zinc/96/78/69/526967869.db2.gz OYDFASOLIINJHW-UHFFFAOYSA-N 0 0 451.331 4.812 40 0 JJABRN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000036055838 526971768 /nfs/dbraw/zinc/97/17/68/526971768.db2.gz VEJWQAPWOXRRCB-YRGIIOSFSA-N 0 0 487.596 4.946 40 0 JJABRN NC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000016713340 527060048 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4.732 40 0 JJABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044847080 527173585 /nfs/dbraw/zinc/17/35/85/527173585.db2.gz VOSCUQAEKKXVCC-KRWDZBQOSA-N 0 0 488.959 4.972 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020487740 527175151 /nfs/dbraw/zinc/17/51/51/527175151.db2.gz GMSCREQDPXORHP-QGZVFWFLSA-N 0 0 455.407 4.607 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013682513 527180653 /nfs/dbraw/zinc/18/06/53/527180653.db2.gz AQCVIUKWWNZRJN-HXUWFJFHSA-N 0 0 463.342 4.588 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044948505 527183435 /nfs/dbraw/zinc/18/34/35/527183435.db2.gz WFONQWNGCMVQHL-QGZVFWFLSA-N 0 0 488.959 4.972 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(Br)ccc1Cl ZINC000014830002 527254729 /nfs/dbraw/zinc/25/47/29/527254729.db2.gz VBFUEDDBJWBDQJ-UHFFFAOYSA-N 0 0 457.777 4.529 40 0 JJABRN Cc1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000041124307 527297444 /nfs/dbraw/zinc/29/74/44/527297444.db2.gz LZICRROQGSHENH-GOSISDBHSA-N 0 0 475.549 4.743 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000022524207 527371413 /nfs/dbraw/zinc/37/14/13/527371413.db2.gz CQYSRXSRBLTMOE-UHFFFAOYSA-N 0 0 488.613 4.837 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000044885608 527386592 /nfs/dbraw/zinc/38/65/92/527386592.db2.gz YBDSRUPNYBHVHP-UHFFFAOYSA-N 0 0 495.004 4.873 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022523287 527386839 /nfs/dbraw/zinc/38/68/39/527386839.db2.gz QKZVIUUXPYNPRI-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN O=C(Cn1cnc2ccccc21)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000004093003 527402147 /nfs/dbraw/zinc/40/21/47/527402147.db2.gz IERFCUSVWRZGIK-MHZLTWQESA-N 0 0 470.573 4.848 40 0 JJABRN O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl ZINC000022706265 527462641 /nfs/dbraw/zinc/46/26/41/527462641.db2.gz MJOBMUXDRWMLNC-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN O=c1ccc(-c2cc3ccccc3s2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 ZINC000004237422 527483544 /nfs/dbraw/zinc/48/35/44/527483544.db2.gz PQTNMOAMVGAPLY-PKOBYXMFSA-N 0 0 462.596 4.538 40 0 biogenic,in-vitro JJABRN O=C(NCC(=O)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1ccco1 ZINC000013507396 527547106 /nfs/dbraw/zinc/54/71/06/527547106.db2.gz CIAWANGQOYCEDZ-DEOSSOPVSA-N 0 0 497.954 4.635 40 0 JJABRN O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCc1ccccc1)c1ccncc1 ZINC000000669614 553744382 /nfs/dbraw/zinc/74/43/82/553744382.db2.gz KVGHDGTVLAORHH-VWLOTQADSA-N 0 0 450.498 4.572 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(=O)(=O)c1ccccc1 ZINC000000783908 553780503 /nfs/dbraw/zinc/78/05/03/553780503.db2.gz OAJRKZWUFHIRAL-UHFFFAOYSA-N 0 0 471.582 4.815 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(CCc1ccccc1)Cc1ccc(F)cc1 ZINC000000800040 553783625 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FADVCKOTTNGQSU-IZZNHLLZSA-N 0 0 468.513 4.517 40 0 JJABRN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000000843562 553794280 /nfs/dbraw/zinc/79/42/80/553794280.db2.gz SOYIIHBEFSVGGN-JWQCQUIFSA-N 0 0 456.477 4.647 40 0 JJABRN CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000000844094 553794535 /nfs/dbraw/zinc/79/45/35/553794535.db2.gz UXPPLGOYIHXGGP-UHFFFAOYSA-N 0 0 494.363 4.812 40 0 JJABRN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)(C)C)c(Cl)c3n2)cc1OC ZINC000000848632 553797504 /nfs/dbraw/zinc/79/75/04/553797504.db2.gz AKKSSRWUBCCWCR-UHFFFAOYSA-N 0 0 456.852 4.614 40 0 JJABRN COc1ccc(OC)c(Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)c1 ZINC000000855372 553799859 /nfs/dbraw/zinc/79/98/59/553799859.db2.gz LQYBNHKRDJORGF-UHFFFAOYSA-N 0 0 459.593 4.746 40 0 JJABRN O=C(Nc1ccc(C(=O)Oc2ccccc2)cc1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000859503 553801667 /nfs/dbraw/zinc/80/16/67/553801667.db2.gz WBFXXDUTKGUOIX-UHFFFAOYSA-N 0 0 457.507 4.991 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)COc1ccccc1 ZINC000000871265 553809306 /nfs/dbraw/zinc/80/93/06/553809306.db2.gz KXWYZMIBXIRYDV-UHFFFAOYSA-N 0 0 452.532 4.730 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NC3CCCCC3)c(=O)[nH]c12 ZINC000000875168 553811920 /nfs/dbraw/zinc/81/19/20/553811920.db2.gz HLSCKRFDSCSDGO-UHFFFAOYSA-N 0 0 463.603 4.775 40 0 JJABRN Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccccc4N4CCCCC4)nnc12)OCCO3 ZINC000000877428 553813409 /nfs/dbraw/zinc/81/34/09/553813409.db2.gz HLUVBKNWTWTZSY-UHFFFAOYSA-N 0 0 489.601 4.683 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000879333 553815285 /nfs/dbraw/zinc/81/52/85/553815285.db2.gz SANGMXYWKLENMZ-UHFFFAOYSA-N 0 0 462.550 4.860 40 0 JJABRN CCOc1ccc(NC(=S)N(Cc2cc3cc(OCC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000000879445 553815629 /nfs/dbraw/zinc/81/56/29/553815629.db2.gz RSBFMKBJXFSOQA-HSZRJFAPSA-N 0 0 481.618 4.704 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000000879911 553816542 /nfs/dbraw/zinc/81/65/42/553816542.db2.gz GGXCRRYITXQCQS-GOSISDBHSA-N 0 0 458.587 4.570 40 0 JJABRN COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)cc(C)c1 ZINC000000881731 553818730 /nfs/dbraw/zinc/81/87/30/553818730.db2.gz VARJZRKNIYDHLY-UHFFFAOYSA-N 0 0 481.574 4.992 40 0 JJABRN O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)N(c1ccccc1)c1ccccc1 ZINC000000884756 553823054 /nfs/dbraw/zinc/82/30/54/553823054.db2.gz YKSQMFILOVMWRV-QHCPKHFHSA-N 0 0 471.586 4.976 40 0 JJABRN COC(=O)c1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000885137 553823937 /nfs/dbraw/zinc/82/39/37/553823937.db2.gz XODSQDXVAJLYDP-UHFFFAOYSA-N 0 0 486.597 4.726 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000000885542 553824549 /nfs/dbraw/zinc/82/45/49/553824549.db2.gz TXIDTEQDLVXELD-IBGZPJMESA-N 0 0 473.573 4.890 40 0 JJABRN CC(=O)Nc1ccc(C)c(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 ZINC000000887834 553825908 /nfs/dbraw/zinc/82/59/08/553825908.db2.gz MLZBSMJQBWVWOF-UHFFFAOYSA-N 0 0 487.585 4.844 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1C ZINC000000889646 553826911 /nfs/dbraw/zinc/82/69/11/553826911.db2.gz HTOBXSSTICDRPR-VWLOTQADSA-N 0 0 454.578 4.789 40 0 JJABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)Nc1ccc(F)cc1)C1CCCCC1)OCCO3 ZINC000000891157 553828257 /nfs/dbraw/zinc/82/82/57/553828257.db2.gz LQLZFDVSXDPFFF-UHFFFAOYSA-N 0 0 467.566 4.970 40 0 JJABRN C[C@@H](NC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1 ZINC000000891065 553828291 /nfs/dbraw/zinc/82/82/91/553828291.db2.gz CITNSJKFFDPLMA-LJQANCHMSA-N 0 0 485.609 4.937 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc12 ZINC000000894155 553830568 /nfs/dbraw/zinc/83/05/68/553830568.db2.gz WFTZCZWPZDRGMG-VWLOTQADSA-N 0 0 454.578 4.789 40 0 JJABRN Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)c(=O)[nH]c2c1 ZINC000000894515 553830909 /nfs/dbraw/zinc/83/09/09/553830909.db2.gz HTQBLQOWTLSHCU-RUZDIDTESA-N 0 0 454.578 4.789 40 0 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ZINC000006601259 554555950 /nfs/dbraw/zinc/55/59/50/554555950.db2.gz HNUWJPHOODVIGH-SANMLTNESA-N 0 0 476.621 4.978 40 0 JJABRN CCOc1ccc(OCC)c(NC(=O)CSc2nnc(COc3ccc(CC)cc3)n2CC)c1 ZINC000006843888 554558673 /nfs/dbraw/zinc/55/86/73/554558673.db2.gz KIYIRNLVIGCWML-UHFFFAOYSA-N 0 0 484.622 4.968 40 0 JJABRN CCn1c(CNc2cc(Cl)ccc2Cl)nnc1SCC(=O)Nc1ccccc1OC ZINC000006878449 554559792 /nfs/dbraw/zinc/55/97/92/554559792.db2.gz DQCUTTCHBFVRHI-UHFFFAOYSA-N 0 0 466.394 4.956 40 0 JJABRN CCn1c(CSc2nc(C)cc(C)n2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000006878521 554560062 /nfs/dbraw/zinc/56/00/62/554560062.db2.gz KHWGJTPVAMPHGQ-KRWDZBQOSA-N 0 0 456.641 4.733 40 0 JJABRN COc1ccccc1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2cccc(C(F)(F)F)c2)c1=O ZINC000008300253 554565636 /nfs/dbraw/zinc/56/56/36/554565636.db2.gz BMHBCTBPBRGAPV-FUHWJXTLSA-N 0 0 468.475 4.802 40 0 biogenic,in-vitro JJABRN COc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000008768450 554669166 /nfs/dbraw/zinc/66/91/66/554669166.db2.gz JUSZSBMTAKZIPZ-CYXNTTPDSA-N 0 0 450.494 4.900 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000008831424 554722315 /nfs/dbraw/zinc/72/23/15/554722315.db2.gz RRYOQCFUHZAXFR-UHFFFAOYSA-N 0 0 453.951 4.657 40 0 JJABRN COc1c(Cl)cc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1Cl ZINC000008831785 554723777 /nfs/dbraw/zinc/72/37/77/554723777.db2.gz KKKIAGJOSYTIMF-UHFFFAOYSA-N 0 0 455.210 4.660 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2Cl)CC1 ZINC000008832499 554727006 /nfs/dbraw/zinc/72/70/06/554727006.db2.gz XKOFPSNYLZAEFL-GOSISDBHSA-N 0 0 458.002 4.930 40 0 JJABRN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 ZINC000008832622 554727402 /nfs/dbraw/zinc/72/74/02/554727402.db2.gz HVCYYRAIFBPPNL-UHFFFAOYSA-N 0 0 467.953 4.935 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 ZINC000008832650 554727688 /nfs/dbraw/zinc/72/76/88/554727688.db2.gz LSGVTIMXYGNLSS-FPYGCLRLSA-N 0 0 464.791 4.515 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1 ZINC000008832769 554728144 /nfs/dbraw/zinc/72/81/44/554728144.db2.gz ZGDAVAZANUIACI-UHFFFAOYSA-N 0 0 480.619 4.775 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c(C)c3)nn12 ZINC000008832818 554728383 /nfs/dbraw/zinc/72/83/83/554728383.db2.gz QPTIKVSQUHBJQT-IZZDOVSWSA-N 0 0 483.022 4.903 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c1 ZINC000008833338 554730862 /nfs/dbraw/zinc/73/08/62/554730862.db2.gz HAPITMMFDPOOHN-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN COc1cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc(OC)c1OC ZINC000008835169 554733594 /nfs/dbraw/zinc/73/35/94/554733594.db2.gz PTSSCCVVTMASME-UHFFFAOYSA-N 0 0 493.541 4.661 40 0 JJABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000008894628 554783978 /nfs/dbraw/zinc/78/39/78/554783978.db2.gz QAQNFWPFDYTKBR-UHFFFAOYSA-N 0 0 487.585 4.750 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)c3)nn12 ZINC000008896242 554785847 /nfs/dbraw/zinc/78/58/47/554785847.db2.gz XUJZYTJHDGVCIV-UHFFFAOYSA-N 0 0 480.619 4.631 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1 ZINC000008896818 554786790 /nfs/dbraw/zinc/78/67/90/554786790.db2.gz QTPVOJROMBEGPP-UHFFFAOYSA-N 0 0 484.581 4.522 40 0 JJABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1 ZINC000008898430 554788912 /nfs/dbraw/zinc/78/89/12/554788912.db2.gz UYDIEIUUHVKLAG-AWEZNQCLSA-N 0 0 479.387 4.797 40 0 JJABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000008902161 554796112 /nfs/dbraw/zinc/79/61/12/554796112.db2.gz WPGCMUPJOUXJOH-UHFFFAOYSA-N 0 0 488.371 4.875 40 0 JJABRN O=C(Nc1nc2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2s1)c1ccco1 ZINC000008902845 554796815 /nfs/dbraw/zinc/79/68/15/554796815.db2.gz YNTWQCLWQNYTOA-UHFFFAOYSA-N 0 0 456.936 4.922 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000008904462 554798737 /nfs/dbraw/zinc/79/87/37/554798737.db2.gz SEYNTXSQDBTSSM-UHFFFAOYSA-N 0 0 458.002 4.786 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 ZINC000008923961 554821344 /nfs/dbraw/zinc/82/13/44/554821344.db2.gz AACUZLCBCCBQFW-YEPHPDAZSA-N 0 0 479.532 4.656 40 0 JJABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCCC2)cc1 ZINC000008994877 554854976 /nfs/dbraw/zinc/85/49/76/554854976.db2.gz OSPWEOXGQOCAKU-AREMUKBSSA-N 0 0 494.636 4.626 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 ZINC000008995317 554856010 /nfs/dbraw/zinc/85/60/10/554856010.db2.gz YYHAOLKXZPUASJ-SANMLTNESA-N 0 0 490.604 4.695 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)cc1Cl ZINC000009055751 554874053 /nfs/dbraw/zinc/87/40/53/554874053.db2.gz ZNDFGPJNSVGXJR-UHFFFAOYSA-N 0 0 469.280 4.590 40 0 JJABRN O=C([C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)N1CCCCC1 ZINC000009059335 554878044 /nfs/dbraw/zinc/87/80/44/554878044.db2.gz IEJKRCHERHKONA-FEBWRTIQSA-N 0 0 490.603 4.502 40 0 JJABRN O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000009062389 554879861 /nfs/dbraw/zinc/87/98/61/554879861.db2.gz IVIYINZYLFBGAA-ZHACJKMWSA-N 0 0 461.459 4.611 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009063804 554881610 /nfs/dbraw/zinc/88/16/10/554881610.db2.gz VYTPQAFYGUANOJ-UHFFFAOYSA-N 0 0 466.559 4.914 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3C)nn12 ZINC000009064562 554882699 /nfs/dbraw/zinc/88/26/99/554882699.db2.gz TWYDXIIWAAGQLJ-UHFFFAOYSA-N 0 0 458.572 4.750 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 ZINC000009064954 554884670 /nfs/dbraw/zinc/88/46/70/554884670.db2.gz FXSYDIICNDAQMS-UHFFFAOYSA-N 0 0 452.923 4.987 40 0 JJABRN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C(C)c5cc(C)ccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000009108648 554897149 /nfs/dbraw/zinc/89/71/49/554897149.db2.gz VHMHDMNGCKSVOH-NDBXHCKUSA-N 0 0 470.569 4.593 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Br)c3)C2=O)cc1 ZINC000009109142 554897689 /nfs/dbraw/zinc/89/76/89/554897689.db2.gz PWHWIYMQADEYQQ-ZLNRFVROSA-N 0 0 493.357 4.899 40 0 JJABRN CC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111281 554898566 /nfs/dbraw/zinc/89/85/66/554898566.db2.gz IANPEITYHOBCRU-YKKMPQLRSA-N 0 0 468.940 4.902 40 0 JJABRN O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009111564 554898992 /nfs/dbraw/zinc/89/89/92/554898992.db2.gz NHAQAWKNVZFSDC-RBUURGHLSA-N 0 0 497.554 4.938 40 0 JJABRN COc1cc(/C=c2/sc3nnc(-c4ccc(C)cc4)n3c2=O)ccc1OCc1ccc(C)cc1 ZINC000009189059 554961220 /nfs/dbraw/zinc/96/12/20/554961220.db2.gz SBSQMUVIHLFPPP-BUVRLJJBSA-N 0 0 469.566 4.570 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000009191498 554963707 /nfs/dbraw/zinc/96/37/07/554963707.db2.gz FTVXESHJNBLTRS-SDHOMARFSA-N 0 0 458.514 4.535 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191864 554964250 /nfs/dbraw/zinc/96/42/50/554964250.db2.gz OTSSZYWKUPHQGU-ICTDUYRTSA-N 0 0 452.595 4.627 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)c(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000009233829 555006887 /nfs/dbraw/zinc/00/68/87/555006887.db2.gz AGYOFJYQOBMALH-FSSWDIPSSA-N 0 0 481.321 4.948 40 0 JJABRN O=C(CN1C(=O)SC(=Cc2cc3c(cc2Cl)OCO3)C1=O)c1ccc(Br)cc1 ZINC000009233944 555007120 /nfs/dbraw/zinc/00/71/20/555007120.db2.gz LFEYNNUZDIBHEZ-UBKPWBPPSA-N 0 0 480.723 4.750 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OC)cc1 ZINC000009296273 555072848 /nfs/dbraw/zinc/07/28/48/555072848.db2.gz DDAGRUUTSACFPU-UHFFFAOYSA-N 0 0 459.575 4.940 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)c(C)c1 ZINC000009359705 555123380 /nfs/dbraw/zinc/12/33/80/555123380.db2.gz KEVSUFZTFXCSQQ-YCAMKHIRSA-N 0 0 454.551 4.763 40 0 JJABRN CN1C(=O)[C@@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 ZINC000009407651 555169153 /nfs/dbraw/zinc/16/91/53/555169153.db2.gz GJGUHSKFYOUAOR-LEDOBFOHSA-N 0 0 492.435 4.643 40 0 JJABRN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C(C)c3cc(C)ccc3N1[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000009423443 555188102 /nfs/dbraw/zinc/18/81/02/555188102.db2.gz PHLVDRCAIMVQQZ-KEZOAJOQSA-N 0 0 477.992 4.663 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(C3CCCC3)S(=O)(=O)c3ccccc3Cl)cc2c1 ZINC000009636302 555343795 /nfs/dbraw/zinc/34/37/95/555343795.db2.gz UOYGJMHZUZKOBP-UHFFFAOYSA-N 0 0 460.983 4.714 40 0 JJABRN CN(C(=O)CSC1=N[C@H]2[C@H](N=N1)c1cc(Br)ccc1N2C)C1CCCCC1 ZINC000013150631 555356016 /nfs/dbraw/zinc/35/60/16/555356016.db2.gz LYJGAMSVLQTNAC-QZTJIDSGSA-N 0 0 450.406 4.612 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cc(C)cc(C)c2)[C@H](C(=O)NC2CCCC2)c2ccco2)no1 ZINC000013150882 555357160 /nfs/dbraw/zinc/35/71/60/555357160.db2.gz WCQQZHZQCNGARZ-SANMLTNESA-N 0 0 492.576 4.745 40 0 JJABRN CCc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013150885 555357190 /nfs/dbraw/zinc/35/71/90/555357190.db2.gz QZBLDOIKPYEGTA-SANMLTNESA-N 0 0 492.576 4.690 40 0 JJABRN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1cccc(Cl)c1Cl ZINC000013425519 555399712 /nfs/dbraw/zinc/39/97/12/555399712.db2.gz ROMBYXVVBYZLJM-CYBMUJFWSA-N 0 0 464.374 4.613 40 0 JJABRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000013465107 555401568 /nfs/dbraw/zinc/40/15/68/555401568.db2.gz PAVVNUSRLNFZBV-UHFFFAOYSA-N 0 0 456.527 4.708 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1cnsn1 ZINC000013494314 555403768 /nfs/dbraw/zinc/40/37/68/555403768.db2.gz BGXFXOABSWAKOE-JOCHJYFZSA-N 0 0 452.555 4.510 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494446 555404607 /nfs/dbraw/zinc/40/46/07/555404607.db2.gz AEMFSOUESFFNPX-QHCPKHFHSA-N 0 0 462.573 4.871 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494535 555405065 /nfs/dbraw/zinc/40/50/65/555405065.db2.gz YPOSBVGTFOCJRX-QHCPKHFHSA-N 0 0 458.610 4.774 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494654 555405469 /nfs/dbraw/zinc/40/54/69/555405469.db2.gz YIXOIELBQQBRDH-VWLOTQADSA-N 0 0 468.561 4.618 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495521 555408222 /nfs/dbraw/zinc/40/82/22/555408222.db2.gz GRBUMOPYVQVOBD-ZCYQVOJMSA-N 0 0 494.640 4.551 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495898 555410025 /nfs/dbraw/zinc/41/00/25/555410025.db2.gz SVFVEFLHSATXFS-HHHXNRCGSA-N 0 0 496.615 4.969 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495883 555410083 /nfs/dbraw/zinc/41/00/83/555410083.db2.gz YQPJSRLSPYCFGV-SANMLTNESA-N 0 0 496.615 4.969 40 0 JJABRN c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496291 555411420 /nfs/dbraw/zinc/41/14/20/555411420.db2.gz XNNQHMCBSFEMFQ-QHCPKHFHSA-N 0 0 459.623 4.700 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013497894 555415924 /nfs/dbraw/zinc/41/59/24/555415924.db2.gz BHTNTYPZKGDXBB-DEOSSOPVSA-N 0 0 458.624 4.737 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)cc1OC ZINC000013497900 555415961 /nfs/dbraw/zinc/41/59/61/555415961.db2.gz KGGSMAQFCKYSFN-SANMLTNESA-N 0 0 493.629 4.532 40 0 JJABRN O=C(Cc1cccs1)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013498069 555417832 /nfs/dbraw/zinc/41/78/32/555417832.db2.gz UPGGFJSHVLXFRS-AREMUKBSSA-N 0 0 494.588 4.987 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498545 555421984 /nfs/dbraw/zinc/42/19/84/555421984.db2.gz SNUFXMBTWZVCTQ-SANMLTNESA-N 0 0 482.588 4.864 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498579 555422595 /nfs/dbraw/zinc/42/25/95/555422595.db2.gz NJHPCNNIZBMWSB-XMMPIXPASA-N 0 0 488.617 4.925 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498663 555423419 /nfs/dbraw/zinc/42/34/19/555423419.db2.gz FIUTWZHBENUQSU-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN CC(C)[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013498784 555424615 /nfs/dbraw/zinc/42/46/15/555424615.db2.gz SWLRCSMWWOOXFV-RUZDIDTESA-N 0 0 492.624 4.543 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000009694962 555424750 /nfs/dbraw/zinc/42/47/50/555424750.db2.gz FOJZDJVOVTZAFM-UHFFFAOYSA-N 0 0 464.996 4.700 40 0 JJABRN Cc1cc2cc(CN(Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498845 555425203 /nfs/dbraw/zinc/42/52/03/555425203.db2.gz TYBHDSUOGTXCEE-QHCPKHFHSA-N 0 0 462.598 4.879 40 0 JJABRN Cc1cc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498959 555426472 /nfs/dbraw/zinc/42/64/72/555426472.db2.gz QFPLFSQFIYSVHP-SANMLTNESA-N 0 0 497.603 4.567 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499205 555429158 /nfs/dbraw/zinc/42/91/58/555429158.db2.gz YVQWPWUWFIOGOD-VWLOTQADSA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499300 555430413 /nfs/dbraw/zinc/43/04/13/555430413.db2.gz GKEVYWPSDXKVBA-AHWVRZQESA-N 0 0 486.620 4.546 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499344 555430865 /nfs/dbraw/zinc/43/08/65/555430865.db2.gz POFBKHZCCPNKQS-DEOSSOPVSA-N 0 0 492.599 4.961 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499363 555430993 /nfs/dbraw/zinc/43/09/93/555430993.db2.gz BIUQLRFSKHSGPM-XMMPIXPASA-N 0 0 474.609 4.822 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4)n21)CC[C@H](C)C3 ZINC000013499747 555434706 /nfs/dbraw/zinc/43/47/06/555434706.db2.gz LCPADPCJNXSTKL-ZDUSSCGKSA-N 0 0 467.620 4.766 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCc5ccccc5C4)n21)CC[C@@H](C)C3 ZINC000013499811 555434929 /nfs/dbraw/zinc/43/49/29/555434929.db2.gz KCIPIFZCRXGXNP-OAHLLOKOSA-N 0 0 477.659 4.703 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(N(C)C)cc4)n21)CC[C@H](C)C3 ZINC000013499860 555434971 /nfs/dbraw/zinc/43/49/71/555434971.db2.gz PKQMAPNYELQZMQ-AWEZNQCLSA-N 0 0 480.663 4.823 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCc5ccccc54)n21)CC[C@H](C)C3 ZINC000013499803 555434980 /nfs/dbraw/zinc/43/49/80/555434980.db2.gz BCSLSHOGMYPIJB-AWEZNQCLSA-N 0 0 463.632 4.708 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n21)CC[C@H](C)C3 ZINC000013499856 555435062 /nfs/dbraw/zinc/43/50/62/555435062.db2.gz ZAPFASLABDRBBM-ZDUSSCGKSA-N 0 0 479.631 4.960 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n21)CCCC3 ZINC000013499909 555435390 /nfs/dbraw/zinc/43/53/90/555435390.db2.gz CYPPNUQMRASDHA-UHFFFAOYSA-N 0 0 484.676 4.846 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4c5ccccc5C[C@H]4C)n21)CCCC3 ZINC000013499915 555435401 /nfs/dbraw/zinc/43/54/01/555435401.db2.gz MGGNOOCYSXEJOY-CQSZACIVSA-N 0 0 463.632 4.850 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500310 555438815 /nfs/dbraw/zinc/43/88/15/555438815.db2.gz YGXONDMYLQYHBV-SANMLTNESA-N 0 0 482.588 4.864 40 0 JJABRN Cc1cccc2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500382 555439598 /nfs/dbraw/zinc/43/95/98/555439598.db2.gz RWVCMBZJEHBZEB-UKILVPOCSA-N 0 0 478.641 4.707 40 0 JJABRN Cc1cccc2cc(CN(CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500504 555440884 /nfs/dbraw/zinc/44/08/84/555440884.db2.gz PHBUNLYONZYUJO-HHHXNRCGSA-N 0 0 496.615 4.906 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500495 555441031 /nfs/dbraw/zinc/44/10/31/555441031.db2.gz BUWMOAGMEMUAKB-DEOSSOPVSA-N 0 0 488.617 4.925 40 0 JJABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500778 555443987 /nfs/dbraw/zinc/44/39/87/555443987.db2.gz XLVKLMSNOOBSDK-AZGAKELHSA-N 0 0 486.620 4.546 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000013501256 555449056 /nfs/dbraw/zinc/44/90/56/555449056.db2.gz CDVJGBZKUAIAAZ-UHFFFAOYSA-N 0 0 492.668 4.681 40 0 JJABRN CC(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501382 555449270 /nfs/dbraw/zinc/44/92/70/555449270.db2.gz VTALPCSINRKUCU-DEOSSOPVSA-N 0 0 499.036 4.810 40 0 JJABRN CC(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501379 555449290 /nfs/dbraw/zinc/44/92/90/555449290.db2.gz OAOPXFDRJNMQCK-AREMUKBSSA-N 0 0 493.007 4.748 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501467 555449809 /nfs/dbraw/zinc/44/98/09/555449809.db2.gz ALNMWJGGARRTTC-HHHXNRCGSA-N 0 0 486.616 4.794 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCCC1 ZINC000013501798 555451510 /nfs/dbraw/zinc/45/15/10/555451510.db2.gz WCRSSLIKKMSFMM-JOCHJYFZSA-N 0 0 488.629 4.818 40 0 JJABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c1 ZINC000013502190 555453210 /nfs/dbraw/zinc/45/32/10/555453210.db2.gz NRTGVLZLXDKIFN-VWLOTQADSA-N 0 0 477.561 4.524 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502163 555453215 /nfs/dbraw/zinc/45/32/15/555453215.db2.gz LBPAJXHREZZXBI-HHHXNRCGSA-N 0 0 485.584 4.951 40 0 JJABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n21)CC[C@@H](C)C3 ZINC000013502557 555455853 /nfs/dbraw/zinc/45/58/53/555455853.db2.gz SXTOPKDFDOUTKU-LLVKDONJSA-N 0 0 458.638 4.775 40 0 JJABRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009629231 555457996 /nfs/dbraw/zinc/45/79/96/555457996.db2.gz QHIGFVFKRBHODW-UHFFFAOYSA-N 0 0 456.571 4.851 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)c(F)c2)[C@H](C(=O)NC2CCCC2)c2ccco2)no1 ZINC000013505694 555467586 /nfs/dbraw/zinc/46/75/86/555467586.db2.gz MRUXWWYLWXSPPV-VWLOTQADSA-N 0 0 496.539 4.576 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505712 555467804 /nfs/dbraw/zinc/46/78/04/555467804.db2.gz NWWIVDHDHJEZHE-SANMLTNESA-N 0 0 492.551 4.674 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013505776 555468063 /nfs/dbraw/zinc/46/80/63/555468063.db2.gz HRUVQYOOPVDHLZ-SANMLTNESA-N 0 0 498.624 4.529 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccccc1OCC ZINC000013505772 555468178 /nfs/dbraw/zinc/46/81/78/555468178.db2.gz CNEVSYIUEBNIPV-SANMLTNESA-N 0 0 498.624 4.529 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cc(C)cc(C)c2)o1 ZINC000013506028 555469312 /nfs/dbraw/zinc/46/93/12/555469312.db2.gz QYDGBBCBTYVHLT-VWLOTQADSA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)o1 ZINC000013506017 555469320 /nfs/dbraw/zinc/46/93/20/555469320.db2.gz WGZDXVRRLPRGDI-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1C ZINC000013506082 555469662 /nfs/dbraw/zinc/46/96/62/555469662.db2.gz OKMAUJJGHCTSTP-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013506181 555470082 /nfs/dbraw/zinc/47/00/82/555470082.db2.gz ZZLPUCROJZWACN-RUZDIDTESA-N 0 0 475.614 4.620 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506160 555470119 /nfs/dbraw/zinc/47/01/19/555470119.db2.gz BQQYZNOZZOYLGN-DEOSSOPVSA-N 0 0 496.032 4.965 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506255 555470553 /nfs/dbraw/zinc/47/05/53/555470553.db2.gz WZPCJTZBDJACIR-XMMPIXPASA-N 0 0 497.567 4.589 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)o1 ZINC000013506380 555471279 /nfs/dbraw/zinc/47/12/79/555471279.db2.gz ADZJTNZXWWVQHK-XMMPIXPASA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)o1 ZINC000013506391 555471360 /nfs/dbraw/zinc/47/13/60/555471360.db2.gz SKKNGSCXXCHLKX-QHCPKHFHSA-N 0 0 499.658 4.660 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506449 555471642 /nfs/dbraw/zinc/47/16/42/555471642.db2.gz BUNYHLHGWPQOOM-DEOSSOPVSA-N 0 0 495.670 4.758 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1C ZINC000013506999 555474819 /nfs/dbraw/zinc/47/48/19/555474819.db2.gz VPSXFDVVQJMULP-AREMUKBSSA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(Cl)cc2)o1 ZINC000013507510 555476211 /nfs/dbraw/zinc/47/62/11/555476211.db2.gz LYLGAUJVJFYEGZ-DEOSSOPVSA-N 0 0 497.979 4.788 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507439 555476258 /nfs/dbraw/zinc/47/62/58/555476258.db2.gz ANIGUTOCTYNTLA-RUZDIDTESA-N 0 0 495.526 4.511 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013507715 555476662 /nfs/dbraw/zinc/47/66/62/555476662.db2.gz VJNBBCQZHPVTIL-DEOSSOPVSA-N 0 0 479.602 4.603 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1F ZINC000013507754 555476956 /nfs/dbraw/zinc/47/69/56/555476956.db2.gz OJSBRVGNSJUTAJ-XMMPIXPASA-N 0 0 497.592 4.742 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1C ZINC000013507728 555476988 /nfs/dbraw/zinc/47/69/88/555476988.db2.gz VLRPRIWTUMQPJE-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013507741 555477034 /nfs/dbraw/zinc/47/70/34/555477034.db2.gz STCSWEINTAGQGB-VWLOTQADSA-N 0 0 493.629 4.857 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013507829 555477242 /nfs/dbraw/zinc/47/72/42/555477242.db2.gz MNWIDNFDOJJZCS-SANMLTNESA-N 0 0 473.573 4.541 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccco1)c1ccccc1 ZINC000013507864 555477250 /nfs/dbraw/zinc/47/72/50/555477250.db2.gz ZTOXRNFLDDQZON-AREMUKBSSA-N 0 0 473.573 4.541 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000013562452 555496744 /nfs/dbraw/zinc/49/67/44/555496744.db2.gz LUYXQWVPTUBVLM-HDICACEKSA-N 0 0 496.633 4.574 40 0 JJABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1OC ZINC000013562591 555497111 /nfs/dbraw/zinc/49/71/11/555497111.db2.gz AVJQVXHSCVTFKP-HDICACEKSA-N 0 0 496.633 4.574 40 0 JJABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC000013562593 555497343 /nfs/dbraw/zinc/49/73/43/555497343.db2.gz AVJQVXHSCVTFKP-QZTJIDSGSA-N 0 0 496.633 4.574 40 0 JJABRN Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCCC5)n4)ccc32)cc1 ZINC000013564953 555500315 /nfs/dbraw/zinc/50/03/15/555500315.db2.gz OJNQWZXBSSTTAY-UHFFFAOYSA-N 0 0 460.603 4.746 40 0 JJABRN COc1ccc(C2(C(=O)N3CCC[C@@H](c4nnc(SCc5cccnc5)n4C)C3)CCCC2)cc1 ZINC000013565215 555501252 /nfs/dbraw/zinc/50/12/52/555501252.db2.gz XZRKVWXRTABXKK-OAQYLSRUSA-N 0 0 491.661 4.729 40 0 JJABRN O=C(CSc1nnc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000013566985 555503697 /nfs/dbraw/zinc/50/36/97/555503697.db2.gz ZQGNMLJHWPFVKE-UHFFFAOYSA-N 0 0 498.564 4.719 40 0 JJABRN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC(=O)N2 ZINC000013567336 555504691 /nfs/dbraw/zinc/50/46/91/555504691.db2.gz DNBAWASJONHGFW-OAHLLOKOSA-N 0 0 471.966 4.597 40 0 JJABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)N(c1ccccc1)c1ccccc1 ZINC000013572116 555510649 /nfs/dbraw/zinc/51/06/49/555510649.db2.gz JPNXNGQNLKJYJG-VQTJNVASSA-N 0 0 475.639 4.650 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2OC)cc1 ZINC000019856130 555514007 /nfs/dbraw/zinc/51/40/07/555514007.db2.gz ITYRMDHGFMQBOG-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000019856250 555514559 /nfs/dbraw/zinc/51/45/59/555514559.db2.gz KHXFVTPDBZLTOP-UHFFFAOYSA-N 0 0 452.429 4.679 40 0 JJABRN CC(C)CCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000019856489 555515939 /nfs/dbraw/zinc/51/59/39/555515939.db2.gz ZGEADPFTTRJYCM-UHFFFAOYSA-N 0 0 462.921 4.716 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000019856616 555516578 /nfs/dbraw/zinc/51/65/78/555516578.db2.gz VXURUJWYOVIWBG-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013581070 555519541 /nfs/dbraw/zinc/51/95/41/555519541.db2.gz QKSYDNVGTADHKI-UHFFFAOYSA-N 0 0 478.929 4.539 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868084 555522337 /nfs/dbraw/zinc/52/23/37/555522337.db2.gz OOKIOGMDIQWHME-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584983 555522929 /nfs/dbraw/zinc/52/29/29/555522929.db2.gz ROLPJUFURFLDGM-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1)S(=O)(=O)c1ccccc1 ZINC000013584981 555522959 /nfs/dbraw/zinc/52/29/59/555522959.db2.gz HUWVUZHKEROUTN-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000013585131 555523201 /nfs/dbraw/zinc/52/32/01/555523201.db2.gz RVONFIHHLBWXTC-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585285 555523427 /nfs/dbraw/zinc/52/34/27/555523427.db2.gz GHOKDQXUZUVQBY-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585451 555523681 /nfs/dbraw/zinc/52/36/81/555523681.db2.gz RXRLCIPQPPCKQV-NRFANRHFSA-N 0 0 466.603 4.684 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585357 555523725 /nfs/dbraw/zinc/52/37/25/555523725.db2.gz TUFCLNBNXYCXEX-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1Cl ZINC000019869094 555523890 /nfs/dbraw/zinc/52/38/90/555523890.db2.gz AGBKTXKACPVVKU-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl ZINC000013609615 555533130 /nfs/dbraw/zinc/53/31/30/555533130.db2.gz QWAMSFNSXLNHJK-UHFFFAOYSA-N 0 0 462.889 4.861 40 0 JJABRN CCN(c1ccc2sc(C(=O)N3CCCCC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609872 555533456 /nfs/dbraw/zinc/53/34/56/555533456.db2.gz RVGBTCYLMMMWJD-UHFFFAOYSA-N 0 0 458.605 4.751 40 0 JJABRN CCN(c1ccc(C(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013612375 555534808 /nfs/dbraw/zinc/53/48/08/555534808.db2.gz DWTFKEXJSWTQCN-UHFFFAOYSA-N 0 0 452.601 4.827 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612336 555534830 /nfs/dbraw/zinc/53/48/30/555534830.db2.gz ZKRNQUVCUSQLDI-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000013612811 555535095 /nfs/dbraw/zinc/53/50/95/555535095.db2.gz WAYWOUHGUHFNJK-DFBJGRDBSA-N 0 0 478.614 4.818 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cccc(Br)c2)cc1 ZINC000013613448 555535358 /nfs/dbraw/zinc/53/53/58/555535358.db2.gz FBAYTHRMITZUNC-UHFFFAOYSA-N 0 0 487.419 4.578 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013631883 555541637 /nfs/dbraw/zinc/54/16/37/555541637.db2.gz PLJVKXPSILCSCD-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013632641 555542625 /nfs/dbraw/zinc/54/26/25/555542625.db2.gz XMLIFKHNIGTJOW-KRWDZBQOSA-N 0 0 454.979 4.898 40 0 JJABRN O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634286 555543841 /nfs/dbraw/zinc/54/38/41/555543841.db2.gz DQSMBKXGXUZIJQ-ZDUSSCGKSA-N 0 0 455.337 4.685 40 0 JJABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(C)nn3c2C)cc1 ZINC000013635766 555545059 /nfs/dbraw/zinc/54/50/59/555545059.db2.gz ZLNXFMPMFXOLFK-UHFFFAOYSA-N 0 0 466.339 4.822 40 0 JJABRN CCn1c(SCc2nnc(-c3ccccc3OC)o2)nnc1-c1cc(Cl)ccc1OC ZINC000019929399 555546453 /nfs/dbraw/zinc/54/64/53/555546453.db2.gz JFOJHGLKAUBYSR-UHFFFAOYSA-N 0 0 457.943 4.978 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929484 555546831 /nfs/dbraw/zinc/54/68/31/555546831.db2.gz TUDFWMJGEOFZEZ-UHFFFAOYSA-N 0 0 488.411 4.725 40 0 JJABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929493 555546963 /nfs/dbraw/zinc/54/69/63/555546963.db2.gz CCCRDCDBRVNYJY-UHFFFAOYSA-N 0 0 454.943 4.919 40 0 JJABRN CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930187 555547499 /nfs/dbraw/zinc/54/74/99/555547499.db2.gz RQMSXDXYPSQMTQ-UHFFFAOYSA-N 0 0 485.311 4.670 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000019930915 555547994 /nfs/dbraw/zinc/54/79/94/555547994.db2.gz MJVTUZPDCQHLBO-NRFANRHFSA-N 0 0 480.483 4.681 40 0 JJABRN Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931228 555548582 /nfs/dbraw/zinc/54/85/82/555548582.db2.gz ACPNVYHPTZBPEC-HXUWFJFHSA-N 0 0 481.376 4.969 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000019931294 555548814 /nfs/dbraw/zinc/54/88/14/555548814.db2.gz QYPWHKGCXFATDU-XMMPIXPASA-N 0 0 454.636 4.508 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCSc3ccccc3)c2)cc1 ZINC000019931868 555549392 /nfs/dbraw/zinc/54/93/92/555549392.db2.gz FHTBUDMIEXNPRA-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN CCOc1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000013645913 555550479 /nfs/dbraw/zinc/55/04/79/555550479.db2.gz KQNKIWKHFGTFFP-UHFFFAOYSA-N 0 0 458.967 4.957 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000019933889 555551245 /nfs/dbraw/zinc/55/12/45/555551245.db2.gz ARMUMEUDXOKLKO-XMMPIXPASA-N 0 0 485.005 4.738 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)ccc1Cl ZINC000019934530 555551948 /nfs/dbraw/zinc/55/19/48/555551948.db2.gz SECHZJIJALQEKV-UHFFFAOYSA-N 0 0 485.389 4.597 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 ZINC000019934485 555551966 /nfs/dbraw/zinc/55/19/66/555551966.db2.gz RWYYXGYNXWNPIT-UHFFFAOYSA-N 0 0 467.349 4.644 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000013647746 555551996 /nfs/dbraw/zinc/55/19/96/555551996.db2.gz WCINHASMGARLPH-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013647880 555552379 /nfs/dbraw/zinc/55/23/79/555552379.db2.gz RTFWMGJVCZPCGY-UHFFFAOYSA-N 0 0 493.025 4.967 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935947 555553481 /nfs/dbraw/zinc/55/34/81/555553481.db2.gz KDXHUBFFFSTOQD-QFIPXVFZSA-N 0 0 458.967 4.739 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935945 555553493 /nfs/dbraw/zinc/55/34/93/555553493.db2.gz KDXHUBFFFSTOQD-JOCHJYFZSA-N 0 0 458.967 4.739 40 0 JJABRN COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000013649525 555553696 /nfs/dbraw/zinc/55/36/96/555553696.db2.gz GYLXGNNQSHISPX-GOSISDBHSA-N 0 0 485.005 4.830 40 0 JJABRN Cc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013649582 555553740 /nfs/dbraw/zinc/55/37/40/555553740.db2.gz HLLQFHDCWRINJW-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000013649456 555553748 /nfs/dbraw/zinc/55/37/48/555553748.db2.gz OCMHFBUHEVBMSB-LJQANCHMSA-N 0 0 472.651 4.904 40 0 JJABRN COc1ccc([C@@H](CC(=O)NC2CCCCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936264 555554081 /nfs/dbraw/zinc/55/40/81/555554081.db2.gz WXLGZXUQXWMZFV-XMMPIXPASA-N 0 0 458.624 4.676 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013649857 555554128 /nfs/dbraw/zinc/55/41/28/555554128.db2.gz KUGWEZXQIYRRRP-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CCN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937901 555554962 /nfs/dbraw/zinc/55/49/62/555554962.db2.gz QGMSAHXAWPLVPP-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938071 555555466 /nfs/dbraw/zinc/55/54/66/555555466.db2.gz PICSXGKFICTCNG-AREMUKBSSA-N 0 0 478.614 4.783 40 0 JJABRN C[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013667886 555556777 /nfs/dbraw/zinc/55/67/77/555556777.db2.gz WSCLYEIVGGPUJM-CQSZACIVSA-N 0 0 457.423 4.934 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013667965 555557162 /nfs/dbraw/zinc/55/71/62/555557162.db2.gz YRNJEXALOHBIOE-UHFFFAOYSA-N 0 0 487.021 4.683 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(Cl)cc2C)cc1 ZINC000013669221 555559002 /nfs/dbraw/zinc/55/90/02/555559002.db2.gz VSEXJXZMBLNOEF-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013669298 555559044 /nfs/dbraw/zinc/55/90/44/555559044.db2.gz CVAQFXNRNRJARC-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1C ZINC000013669455 555559409 /nfs/dbraw/zinc/55/94/09/555559409.db2.gz VIPLGUPUJDDSQD-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013669860 555559910 /nfs/dbraw/zinc/55/99/10/555559910.db2.gz NWVBMISDWPSARX-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000013670485 555561044 /nfs/dbraw/zinc/56/10/44/555561044.db2.gz XAWCHAFLMQZGCP-UHFFFAOYSA-N 0 0 494.657 4.955 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc2)cc1 ZINC000019946166 555563037 /nfs/dbraw/zinc/56/30/37/555563037.db2.gz ALPHNQFNWIGBKA-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947059 555563450 /nfs/dbraw/zinc/56/34/50/555563450.db2.gz LKCOTBJAESXWFU-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013673291 555564790 /nfs/dbraw/zinc/56/47/90/555564790.db2.gz DFUONZHQQOMWHZ-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013674722 555565987 /nfs/dbraw/zinc/56/59/87/555565987.db2.gz SVFHMPXDVMPAML-UHFFFAOYSA-N 0 0 464.631 4.510 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013675991 555566944 /nfs/dbraw/zinc/56/69/44/555566944.db2.gz WFPGOHJEZVXMEO-OAHLLOKOSA-N 0 0 456.530 4.646 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013677396 555568350 /nfs/dbraw/zinc/56/83/50/555568350.db2.gz ABMJZNPXESBAKS-ZDUSSCGKSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677696 555568584 /nfs/dbraw/zinc/56/85/84/555568584.db2.gz ZKUHERSXSZQYPI-LBPRGKRZSA-N 0 0 479.788 4.966 40 0 JJABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1NS(=O)(=O)c1ccccc1 ZINC000013677817 555568895 /nfs/dbraw/zinc/56/88/95/555568895.db2.gz LWXNDTBYMJYLKH-UHFFFAOYSA-N 0 0 489.553 4.571 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678072 555569237 /nfs/dbraw/zinc/56/92/37/555569237.db2.gz PLZKROGVGYUXSJ-OAQYLSRUSA-N 0 0 477.369 4.730 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678208 555569467 /nfs/dbraw/zinc/56/94/67/555569467.db2.gz MCOKAWYLTQBWCZ-NRFANRHFSA-N 0 0 477.369 4.730 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013678729 555569999 /nfs/dbraw/zinc/56/99/99/555569999.db2.gz BHLDLSJNWMDRDA-OAHLLOKOSA-N 0 0 475.825 4.505 40 0 JJABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1OC ZINC000013678861 555570093 /nfs/dbraw/zinc/57/00/93/555570093.db2.gz NXSSIPGYXGVWRV-UHFFFAOYSA-N 0 0 470.616 4.846 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013679267 555570771 /nfs/dbraw/zinc/57/07/71/555570771.db2.gz LQFMAFDPLREMKC-NRFANRHFSA-N 0 0 456.951 4.552 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679337 555571031 /nfs/dbraw/zinc/57/10/31/555571031.db2.gz CDQWAEZUBVQSAD-CYBMUJFWSA-N 0 0 461.798 4.827 40 0 JJABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000009972571 555572376 /nfs/dbraw/zinc/57/23/76/555572376.db2.gz GQDVACZMKQFJHY-VQIMKDEXSA-N 0 0 492.359 4.711 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013681190 555573998 /nfs/dbraw/zinc/57/39/98/555573998.db2.gz IFLKDCHKGANFBI-KRWDZBQOSA-N 0 0 455.407 4.791 40 0 JJABRN CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013681131 555574055 /nfs/dbraw/zinc/57/40/55/555574055.db2.gz DNVOTDIWFPDBBE-INIZCTEOSA-N 0 0 455.407 4.736 40 0 JJABRN CC(C)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681844 555575206 /nfs/dbraw/zinc/57/52/06/555575206.db2.gz WDXWZQHCQJHXNB-XMMPIXPASA-N 0 0 450.560 4.546 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009973838 555575597 /nfs/dbraw/zinc/57/55/97/555575597.db2.gz HIGUKEUBSRYSSX-LBPRGKRZSA-N 0 0 492.222 4.795 40 0 JJABRN CCc1ccc(NC(SCc2ccc(Br)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973866 555575786 /nfs/dbraw/zinc/57/57/86/555575786.db2.gz BNBIGZITONMFGC-UHFFFAOYSA-N 0 0 488.407 4.619 40 0 JJABRN CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000013682446 555575859 /nfs/dbraw/zinc/57/58/59/555575859.db2.gz ICKQZLNCDMGHCO-INIZCTEOSA-N 0 0 485.433 4.961 40 0 JJABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)Oc2ccccc21 ZINC000013682574 555575914 /nfs/dbraw/zinc/57/59/14/555575914.db2.gz ILJXMKHWSAAXDG-DFFJHKNISA-N 0 0 480.630 4.710 40 0 JJABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC ZINC000013682397 555575942 /nfs/dbraw/zinc/57/59/42/555575942.db2.gz JOPSKMPMDSNGFU-UHFFFAOYSA-N 0 0 468.619 4.714 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1Br ZINC000013683632 555577559 /nfs/dbraw/zinc/57/75/59/555577559.db2.gz AUCDVRZVUFFPNF-UHFFFAOYSA-N 0 0 453.336 4.705 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC ZINC000013684279 555578293 /nfs/dbraw/zinc/57/82/93/555578293.db2.gz XBLSBMSJJGBNRK-UHFFFAOYSA-N 0 0 490.600 4.991 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)c(C)c1 ZINC000020005013 555579257 /nfs/dbraw/zinc/57/92/57/555579257.db2.gz WOWFNDBYHRSYPW-HSZRJFAPSA-N 0 0 454.567 4.588 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC ZINC000013685754 555579217 /nfs/dbraw/zinc/57/92/17/555579217.db2.gz BVLPUTKDHXHDDM-FQEVSTJZSA-N 0 0 476.573 4.699 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)cc1 ZINC000009974510 555579387 /nfs/dbraw/zinc/57/93/87/555579387.db2.gz VAQKYDJSPVJPNM-IBGZPJMESA-N 0 0 466.559 4.527 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ccccc43)C2)cc1Cl ZINC000009974653 555579882 /nfs/dbraw/zinc/57/98/82/555579882.db2.gz LTPCFAQLDYYUFJ-KRWDZBQOSA-N 0 0 458.967 4.541 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000020006172 555580720 /nfs/dbraw/zinc/58/07/20/555580720.db2.gz VATUXJAJKJCJBB-FQEVSTJZSA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000020006178 555580769 /nfs/dbraw/zinc/58/07/69/555580769.db2.gz SKNCHYIQAIRBNL-FQEVSTJZSA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000020007043 555581564 /nfs/dbraw/zinc/58/15/64/555581564.db2.gz WWJOVJHCIMVDDJ-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020008141 555582779 /nfs/dbraw/zinc/58/27/79/555582779.db2.gz RZXRQQLTDRCKCR-XMMPIXPASA-N 0 0 454.567 4.697 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000020008809 555583618 /nfs/dbraw/zinc/58/36/18/555583618.db2.gz RONPRQUCXAPSPW-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000020009606 555585244 /nfs/dbraw/zinc/58/52/44/555585244.db2.gz IJLYSTWSVIYJTD-IBGZPJMESA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000020009622 555585271 /nfs/dbraw/zinc/58/52/71/555585271.db2.gz FYSJJQUHSHININ-LJQANCHMSA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020009906 555585930 /nfs/dbraw/zinc/58/59/30/555585930.db2.gz YNHJJMSWNVBWKV-NRFANRHFSA-N 0 0 487.021 4.802 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)Cc2ccccc2)cc1 ZINC000020010378 555586128 /nfs/dbraw/zinc/58/61/28/555586128.db2.gz HDRRZTCQTBKKSD-UHFFFAOYSA-N 0 0 480.483 4.983 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1 ZINC000020010300 555586220 /nfs/dbraw/zinc/58/62/20/555586220.db2.gz WURFBZCPVXPIDX-LJQANCHMSA-N 0 0 456.995 4.717 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)C2CCCCC2)cc1 ZINC000020010517 555586494 /nfs/dbraw/zinc/58/64/94/555586494.db2.gz OTGUIKKERWIOFC-GOSISDBHSA-N 0 0 493.467 4.958 40 0 JJABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000020010775 555586679 /nfs/dbraw/zinc/58/66/79/555586679.db2.gz LWJCKQHOSJROQH-UHFFFAOYSA-N 0 0 482.911 4.629 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)Cc2ccc(F)cc2)cc1 ZINC000020012321 555588412 /nfs/dbraw/zinc/58/84/12/555588412.db2.gz ZQWRJVICCAIYPR-SFHVURJKSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012536 555588646 /nfs/dbraw/zinc/58/86/46/555588646.db2.gz WMANWXLIHGVHCE-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712431 555589784 /nfs/dbraw/zinc/58/97/84/555589784.db2.gz YHPHFFKKAVGJSQ-IBGZPJMESA-N 0 0 493.453 4.727 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2OC)C2CCCCC2)cc1Cl ZINC000020014401 555590541 /nfs/dbraw/zinc/59/05/41/555590541.db2.gz QQFLYVBEQIGOFP-KRWDZBQOSA-N 0 0 495.041 4.558 40 0 JJABRN CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014687 555590912 /nfs/dbraw/zinc/59/09/12/555590912.db2.gz KXQUQFFPICGJNK-LBPRGKRZSA-N 0 0 494.238 4.644 40 0 JJABRN CCN1C(=O)[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 ZINC000010007590 555591500 /nfs/dbraw/zinc/59/15/00/555591500.db2.gz ZEPVKDYIVFBXQS-MIUCGUHXSA-N 0 0 454.570 4.976 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000020015763 555591918 /nfs/dbraw/zinc/59/19/18/555591918.db2.gz BGGXNSZUMGIGRH-QHCPKHFHSA-N 0 0 499.032 4.733 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2OC)cc1Cl ZINC000010010235 555592213 /nfs/dbraw/zinc/59/22/13/555592213.db2.gz LLJLAKHEONEXFP-UHFFFAOYSA-N 0 0 457.943 4.728 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715495 555592687 /nfs/dbraw/zinc/59/26/87/555592687.db2.gz HAZIBFRJTTUSKD-QHCPKHFHSA-N 0 0 456.539 4.588 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020016894 555592808 /nfs/dbraw/zinc/59/28/08/555592808.db2.gz GNZRREPYJTVONS-ZDUSSCGKSA-N 0 0 480.430 4.764 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715579 555593013 /nfs/dbraw/zinc/59/30/13/555593013.db2.gz VJFQRBLHGXPGEN-IBGZPJMESA-N 0 0 493.453 4.727 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715872 555593308 /nfs/dbraw/zinc/59/33/08/555593308.db2.gz WDAFADNPZOIRMZ-JOCHJYFZSA-N 0 0 488.968 4.893 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716387 555593700 /nfs/dbraw/zinc/59/37/00/555593700.db2.gz QJEYGSZEAGZCSW-LJQANCHMSA-N 0 0 453.402 4.558 40 0 JJABRN CCOC(=O)c1c(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013716576 555593972 /nfs/dbraw/zinc/59/39/72/555593972.db2.gz HQUHXNVSZCUEQF-IBGZPJMESA-N 0 0 492.663 4.604 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000020018404 555594397 /nfs/dbraw/zinc/59/43/97/555594397.db2.gz CNMOTVAKECDGRN-OAHLLOKOSA-N 0 0 485.433 4.670 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000020019208 555595279 /nfs/dbraw/zinc/59/52/79/555595279.db2.gz PQXMMCQEFFODFE-OALUTQOASA-N 0 0 484.643 4.704 40 0 JJABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020019646 555595862 /nfs/dbraw/zinc/59/58/62/555595862.db2.gz QGIPSKAHHJVGJK-LBPRGKRZSA-N 0 0 498.445 4.819 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020019862 555595896 /nfs/dbraw/zinc/59/58/96/555595896.db2.gz UOQVWIPXUJLJKB-GOSISDBHSA-N 0 0 470.616 4.774 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000020020041 555596150 /nfs/dbraw/zinc/59/61/50/555596150.db2.gz UITJHRGPAQBTSW-KRWDZBQOSA-N 0 0 458.967 4.705 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020663 555597595 /nfs/dbraw/zinc/59/75/95/555597595.db2.gz PIFNFDOUUGKPST-HNNXBMFYSA-N 0 0 462.930 4.536 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1Cl ZINC000020020984 555598154 /nfs/dbraw/zinc/59/81/54/555598154.db2.gz ITSKUKDWUWWMCS-UHFFFAOYSA-N 0 0 478.929 4.614 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 ZINC000020021683 555599092 /nfs/dbraw/zinc/59/90/92/555599092.db2.gz JJNINOSJRNCMED-GOSISDBHSA-N 0 0 476.664 4.584 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1 ZINC000020022472 555599903 /nfs/dbraw/zinc/59/99/03/555599903.db2.gz CQBXTBIAVOTBSN-KRWDZBQOSA-N 0 0 488.606 4.913 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(C)c2)cc1C ZINC000020022609 555600242 /nfs/dbraw/zinc/60/02/42/555600242.db2.gz LUSPOOCQTOQCDK-UHFFFAOYSA-N 0 0 456.539 4.878 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCCc3ccccc32)cc1)c1ccccc1 ZINC000020023832 555601729 /nfs/dbraw/zinc/60/17/29/555601729.db2.gz KVLOCBSJUZAKJJ-RXFWQSSRSA-N 0 0 462.615 4.853 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000020023721 555601771 /nfs/dbraw/zinc/60/17/71/555601771.db2.gz NYEQQDIPMHZFRE-SFHVURJKSA-N 0 0 460.665 4.830 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020024582 555602374 /nfs/dbraw/zinc/60/23/74/555602374.db2.gz BELZRCMRJDGUMH-UHFFFAOYSA-N 0 0 458.477 4.590 40 0 JJABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000010039266 555604405 /nfs/dbraw/zinc/60/44/05/555604405.db2.gz ZBRFPYWRYQRYRG-VZUCSPMQSA-N 0 0 456.907 4.521 40 0 JJABRN CCOc1cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc(OCC)c1OCC ZINC000010039378 555604622 /nfs/dbraw/zinc/60/46/22/555604622.db2.gz APCIBDWHJUDCMA-UHFFFAOYSA-N 0 0 474.513 4.936 40 0 JJABRN CCSc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000020036124 555610582 /nfs/dbraw/zinc/61/05/82/555610582.db2.gz JZNXPVUYCMHKSZ-UHFFFAOYSA-N 0 0 486.615 4.650 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020036305 555610771 /nfs/dbraw/zinc/61/07/71/555610771.db2.gz IFVAXFHVJGAXIC-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020037886 555611843 /nfs/dbraw/zinc/61/18/43/555611843.db2.gz PVHDAIUFHDKGNN-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020038715 555612510 /nfs/dbraw/zinc/61/25/10/555612510.db2.gz PCRLJAHEFWJQHP-GDLZYMKVSA-N 0 0 496.636 4.927 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020039424 555612770 /nfs/dbraw/zinc/61/27/70/555612770.db2.gz LZQPCVSGJRQGPC-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2F)cc1 ZINC000020039668 555613015 /nfs/dbraw/zinc/61/30/15/555613015.db2.gz XNZBCMXLFRIMRO-QHCPKHFHSA-N 0 0 452.551 4.523 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1 ZINC000020043428 555614978 /nfs/dbraw/zinc/61/49/78/555614978.db2.gz OGJADQRKSHICKR-UHFFFAOYSA-N 0 0 478.614 4.928 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000020045667 555616612 /nfs/dbraw/zinc/61/66/12/555616612.db2.gz RLXVQPQUVCIDKV-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000020047593 555617942 /nfs/dbraw/zinc/61/79/42/555617942.db2.gz XPELCQYQZRCQHL-UHFFFAOYSA-N 0 0 471.019 4.772 40 0 JJABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000020049444 555619084 /nfs/dbraw/zinc/61/90/84/555619084.db2.gz LIICJDDQMPOJTH-UHFFFAOYSA-N 0 0 477.435 4.561 40 0 JJABRN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000013787540 555619704 /nfs/dbraw/zinc/61/97/04/555619704.db2.gz AIBHKCYLLCQTEJ-VJBWXMMDSA-N 0 0 493.357 4.817 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000010110494 555620179 /nfs/dbraw/zinc/62/01/79/555620179.db2.gz PYZOCSHRHWNSJA-UHFFFAOYSA-N 0 0 494.701 4.978 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010111037 555621886 /nfs/dbraw/zinc/62/18/86/555621886.db2.gz HBOYVHVHGPHOFT-UHFFFAOYSA-N 0 0 480.630 4.723 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(SC)cc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000013805800 555623364 /nfs/dbraw/zinc/62/33/64/555623364.db2.gz MCDHGROHRRBXPD-SGNDLWITSA-N 0 0 460.555 4.858 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000010112662 555626022 /nfs/dbraw/zinc/62/60/22/555626022.db2.gz LDGIXDZGIZQBNS-UHFFFAOYSA-N 0 0 472.607 4.834 40 0 JJABRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)[C@@H]2CSCN21 ZINC000013817058 555629733 /nfs/dbraw/zinc/62/97/33/555629733.db2.gz XIRKUVRWBIILHB-WWQFTLRMSA-N 0 0 470.594 4.822 40 0 JJABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000013841908 555631541 /nfs/dbraw/zinc/63/15/41/555631541.db2.gz GNQHDDLGSCFWLD-UHFFFAOYSA-N 0 0 467.378 4.923 40 0 JJABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000010119978 555632004 /nfs/dbraw/zinc/63/20/04/555632004.db2.gz MCXGROIDLUOCPF-SNVBAGLBSA-N 0 0 464.334 4.574 40 0 JJABRN COc1cc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc(OC)c1OC ZINC000010120233 555632592 /nfs/dbraw/zinc/63/25/92/555632592.db2.gz XENGXTHBVNYHLO-UHFFFAOYSA-N 0 0 462.458 4.544 40 0 JJABRN CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020098294 555632848 /nfs/dbraw/zinc/63/28/48/555632848.db2.gz SXLIMEMTJFMVKW-RUZDIDTESA-N 0 0 472.662 4.986 40 0 JJABRN Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000013844364 555633218 /nfs/dbraw/zinc/63/32/18/555633218.db2.gz CLNCZPMAFCWEDC-UHFFFAOYSA-N 0 0 459.305 4.710 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000010128318 555633987 /nfs/dbraw/zinc/63/39/87/555633987.db2.gz DMXIRVWCOXFJCP-FQEVSTJZSA-N 0 0 463.386 4.830 40 0 JJABRN O=C(Nc1ccccc1Br)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128633 555634213 /nfs/dbraw/zinc/63/42/13/555634213.db2.gz VYQFTEVTLLAMSA-HXUWFJFHSA-N 0 0 493.810 4.631 40 0 JJABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000010128665 555634474 /nfs/dbraw/zinc/63/44/74/555634474.db2.gz VYJFOUZZFJLPDH-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020104422 555636826 /nfs/dbraw/zinc/63/68/26/555636826.db2.gz SKZAXNISJQQHEL-HSZRJFAPSA-N 0 0 452.576 4.994 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010146568 555637005 /nfs/dbraw/zinc/63/70/05/555637005.db2.gz LGNVUKMYUFSZMX-FQEVSTJZSA-N 0 0 479.385 4.530 40 0 JJABRN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010146572 555637063 /nfs/dbraw/zinc/63/70/63/555637063.db2.gz TVUFBSLCJKYPCR-NRFANRHFSA-N 0 0 461.008 4.590 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(Cl)c1 ZINC000020104910 555637722 /nfs/dbraw/zinc/63/77/22/555637722.db2.gz MNYQFVSQBQEFDV-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000020105232 555638435 /nfs/dbraw/zinc/63/84/35/555638435.db2.gz OTESIRZUOZKDBU-UHFFFAOYSA-N 0 0 498.004 4.685 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000020105297 555638652 /nfs/dbraw/zinc/63/86/52/555638652.db2.gz RASSYRRLOHFQSM-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000020105775 555639424 /nfs/dbraw/zinc/63/94/24/555639424.db2.gz IKIHOWCNFFDYPA-XMMPIXPASA-N 0 0 493.069 4.794 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1OC ZINC000020108205 555642826 /nfs/dbraw/zinc/64/28/26/555642826.db2.gz VSGSQULGGMAAAA-IBGZPJMESA-N 0 0 482.602 4.921 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000020108553 555643371 /nfs/dbraw/zinc/64/33/71/555643371.db2.gz BXHREPRGPBCVME-LJQANCHMSA-N 0 0 468.575 4.909 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000020108523 555643400 /nfs/dbraw/zinc/64/34/00/555643400.db2.gz GPCYNSLUVUNVQI-HNNXBMFYSA-N 0 0 460.939 4.555 40 0 JJABRN CC(C)C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020108671 555643728 /nfs/dbraw/zinc/64/37/28/555643728.db2.gz BUJGOKKVKRAMLM-HSZRJFAPSA-N 0 0 454.567 4.925 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000020109189 555644955 /nfs/dbraw/zinc/64/49/55/555644955.db2.gz HOCVVUJMZZKBAU-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC ZINC000013915639 555647322 /nfs/dbraw/zinc/64/73/22/555647322.db2.gz ZSCHGAOZFNRJKN-SFHVURJKSA-N 0 0 466.390 4.832 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2cccc(F)c2)OC1=O ZINC000013926126 555647745 /nfs/dbraw/zinc/64/77/45/555647745.db2.gz NGERQLIWDUBELS-AUWJEWJLSA-N 0 0 455.077 4.704 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2C)OC1=O ZINC000013927340 555647837 /nfs/dbraw/zinc/64/78/37/555647837.db2.gz YCXNNGWVQMEJDK-NVNXTCNLSA-N 0 0 451.114 4.873 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(F)cc3)cc2)cc1 ZINC000020112751 555650246 /nfs/dbraw/zinc/65/02/46/555650246.db2.gz ADMGCYAGUILWCJ-QHCPKHFHSA-N 0 0 472.538 4.821 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000020121328 555655190 /nfs/dbraw/zinc/65/51/90/555655190.db2.gz MYLUDHMSFZETLX-HSZRJFAPSA-N 0 0 478.597 4.805 40 0 JJABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(I)cc1 ZINC000020138357 555661674 /nfs/dbraw/zinc/66/16/74/555661674.db2.gz KSVBJHGQNCUARM-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3C)cc2)cc1 ZINC000013994833 555667928 /nfs/dbraw/zinc/66/79/28/555667928.db2.gz FSWILMPOLGULDN-HSZRJFAPSA-N 0 0 468.575 4.991 40 0 JJABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000013994411 555667985 /nfs/dbraw/zinc/66/79/85/555667985.db2.gz NRRXCJLBWCPJFY-QFIPXVFZSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014006263 555668319 /nfs/dbraw/zinc/66/83/19/555668319.db2.gz MDMMLOXWQJRCBL-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020152585 555670200 /nfs/dbraw/zinc/67/02/00/555670200.db2.gz YMFLWZZXRPEIRW-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1I ZINC000010275766 555670223 /nfs/dbraw/zinc/67/02/23/555670223.db2.gz OLABHYNPDSOKLS-ZDUSSCGKSA-N 0 0 473.376 4.637 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010276008 555670682 /nfs/dbraw/zinc/67/06/82/555670682.db2.gz QFHDDQKPONEBQD-JKSUJKDBSA-N 0 0 467.031 4.678 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Br ZINC000020152954 555671102 /nfs/dbraw/zinc/67/11/02/555671102.db2.gz MEUIYZPQBIBGMF-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1Cl ZINC000020153013 555671272 /nfs/dbraw/zinc/67/12/72/555671272.db2.gz VFCVWODFJAIHCB-UHFFFAOYSA-N 0 0 460.939 4.626 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020153431 555672759 /nfs/dbraw/zinc/67/27/59/555672759.db2.gz DAJNCQUXQXIULN-UHFFFAOYSA-N 0 0 489.391 4.954 40 0 JJABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014022252 555673359 /nfs/dbraw/zinc/67/33/59/555673359.db2.gz XAXHYLMEQPTITD-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2)cc1 ZINC000014022686 555673618 /nfs/dbraw/zinc/67/36/18/555673618.db2.gz KCTFLXVGFYLVLB-HXUWFJFHSA-N 0 0 497.016 4.919 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3)cc2)cc1 ZINC000014024226 555674307 /nfs/dbraw/zinc/67/43/07/555674307.db2.gz ATCOHQCEEKIJDD-QHCPKHFHSA-N 0 0 454.548 4.682 40 0 JJABRN CCOc1cccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000010294599 555674741 /nfs/dbraw/zinc/67/47/41/555674741.db2.gz YBTYCQFTEZRSAO-UHFFFAOYSA-N 0 0 458.967 4.957 40 0 JJABRN CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010294622 555674957 /nfs/dbraw/zinc/67/49/57/555674957.db2.gz LMRWBFAZVGNFTP-SFHVURJKSA-N 0 0 454.548 4.671 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010296103 555675780 /nfs/dbraw/zinc/67/57/80/555675780.db2.gz WBIXCPPKQAVZHG-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000010300470 555677244 /nfs/dbraw/zinc/67/72/44/555677244.db2.gz HSISFTXIUJNWIN-UHFFFAOYSA-N 0 0 471.406 4.518 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000010303097 555678651 /nfs/dbraw/zinc/67/86/51/555678651.db2.gz GQIVAKFCMKCFFI-UHFFFAOYSA-N 0 0 484.549 4.666 40 0 JJABRN COc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(OC)cc1Cl ZINC000010314548 555680223 /nfs/dbraw/zinc/68/02/23/555680223.db2.gz LLKNAJGDEXZBCV-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315026 555681340 /nfs/dbraw/zinc/68/13/40/555681340.db2.gz JSDYOZOAENOZHI-SFHVURJKSA-N 0 0 465.575 4.576 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000010324429 555683502 /nfs/dbraw/zinc/68/35/02/555683502.db2.gz HHVGVLXYYWHVMO-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3C[C@@H]2C)cc1 ZINC000010326455 555685099 /nfs/dbraw/zinc/68/50/99/555685099.db2.gz OSQZJWOZYBCICS-KRWDZBQOSA-N 0 0 454.979 4.718 40 0 JJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010326567 555685134 /nfs/dbraw/zinc/68/51/34/555685134.db2.gz LTJLNYMJEKTXKV-UHFFFAOYSA-N 0 0 497.592 4.573 40 0 JJABRN COc1cc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(OC)cc1Cl ZINC000010328576 555686584 /nfs/dbraw/zinc/68/65/84/555686584.db2.gz VDBQUSCOSNPBRJ-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN Cc1cc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br ZINC000010332652 555688655 /nfs/dbraw/zinc/68/86/55/555688655.db2.gz TVQIPQZWSWRHAW-CYBMUJFWSA-N 0 0 459.793 4.513 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014106513 555689201 /nfs/dbraw/zinc/68/92/01/555689201.db2.gz YUMKEZBGDVKDAU-QGZVFWFLSA-N 0 0 479.440 4.920 40 0 JJABRN CC(C)OCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010336459 555691554 /nfs/dbraw/zinc/69/15/54/555691554.db2.gz GFTZSGRMDZCXHY-UHFFFAOYSA-N 0 0 473.422 4.505 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl ZINC000010337812 555692288 /nfs/dbraw/zinc/69/22/88/555692288.db2.gz VOGPRGCPSWTIJR-UHFFFAOYSA-N 0 0 464.893 4.552 40 0 JJABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010357173 555695543 /nfs/dbraw/zinc/69/55/43/555695543.db2.gz GBWBSDNDFYDRHJ-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1C ZINC000010358845 555696249 /nfs/dbraw/zinc/69/62/49/555696249.db2.gz HQDIVEUVHCWFJO-UHFFFAOYSA-N 0 0 485.650 4.551 40 0 JJABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3I)o2)cc1 ZINC000020197116 555696469 /nfs/dbraw/zinc/69/64/69/555696469.db2.gz JWHKGIVTUDEKBL-UHFFFAOYSA-N 0 0 479.343 4.558 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1C ZINC000014126300 555697092 /nfs/dbraw/zinc/69/70/92/555697092.db2.gz XTMPEJJOYZLPCP-UHFFFAOYSA-N 0 0 450.486 4.761 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010363266 555697371 /nfs/dbraw/zinc/69/73/71/555697371.db2.gz KTWJKADGOLTBRE-UHFFFAOYSA-N 0 0 493.629 4.696 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010367008 555698223 /nfs/dbraw/zinc/69/82/23/555698223.db2.gz LTXUCXUNHXNRPV-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000010368669 555698738 /nfs/dbraw/zinc/69/87/38/555698738.db2.gz VPFUNZWJYVDQTN-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000010369453 555699059 /nfs/dbraw/zinc/69/90/59/555699059.db2.gz ZOJUQCTXWHTMKA-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010370100 555699287 /nfs/dbraw/zinc/69/92/87/555699287.db2.gz OHDLQLAMTPXYAH-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010371508 555700061 /nfs/dbraw/zinc/70/00/61/555700061.db2.gz JTMQNOYIPONHIP-UHFFFAOYSA-N 0 0 479.602 4.839 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000010372174 555700324 /nfs/dbraw/zinc/70/03/24/555700324.db2.gz ASNIVESIPJEYPX-OAHLLOKOSA-N 0 0 475.463 4.506 40 0 JJABRN COc1ccccc1CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000014135394 555703157 /nfs/dbraw/zinc/70/31/57/555703157.db2.gz BQXYEKJBWBQOOP-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN Cc1ccccc1CSCCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000010434052 555708906 /nfs/dbraw/zinc/70/89/06/555708906.db2.gz ALLPKNISUXMFNX-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000014153706 555710006 /nfs/dbraw/zinc/71/00/06/555710006.db2.gz ZOMBKUVNPQOVFP-UHFFFAOYSA-N 0 0 455.407 4.900 40 0 JJABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000014153796 555710308 /nfs/dbraw/zinc/71/03/08/555710308.db2.gz ONFOIGOMXUZITB-UHFFFAOYSA-N 0 0 466.559 4.760 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010440901 555710543 /nfs/dbraw/zinc/71/05/43/555710543.db2.gz ZLXFTAWFAAPYLG-UHFFFAOYSA-N 0 0 480.586 4.821 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)c1 ZINC000014153948 555710700 /nfs/dbraw/zinc/71/07/00/555710700.db2.gz XVSOWGPMLKKHPO-UHFFFAOYSA-N 0 0 491.613 4.901 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010440976 555710865 /nfs/dbraw/zinc/71/08/65/555710865.db2.gz JEIPODBWGMQYOA-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3cccc(C)c3)cc2)cc1 ZINC000014154609 555711800 /nfs/dbraw/zinc/71/18/00/555711800.db2.gz FFYOFLRHGMVEFC-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010444318 555712249 /nfs/dbraw/zinc/71/22/49/555712249.db2.gz QWLGRVFAWCELOK-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCc1ccc(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155027 555712863 /nfs/dbraw/zinc/71/28/63/555712863.db2.gz IKZXXFOBLUOBPQ-UHFFFAOYSA-N 0 0 474.692 4.935 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000014155320 555713429 /nfs/dbraw/zinc/71/34/29/555713429.db2.gz HJDYJSDQIGORMJ-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)ccc1Cl ZINC000014155270 555713451 /nfs/dbraw/zinc/71/34/51/555713451.db2.gz UNJFMDPXEILECF-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000010447061 555713562 /nfs/dbraw/zinc/71/35/62/555713562.db2.gz HGMBIAWLLLYZGR-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN CCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010448319 555714227 /nfs/dbraw/zinc/71/42/27/555714227.db2.gz WLXVYYGQWLLNSE-UHFFFAOYSA-N 0 0 454.617 4.862 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014155749 555714314 /nfs/dbraw/zinc/71/43/14/555714314.db2.gz QGWRSHNTYOLFLY-UHFFFAOYSA-N 0 0 487.065 4.890 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010448614 555714528 /nfs/dbraw/zinc/71/45/28/555714528.db2.gz HZKBFAVYIYQJMX-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010449521 555715345 /nfs/dbraw/zinc/71/53/45/555715345.db2.gz HQTRUIQNVFJQAO-UHFFFAOYSA-N 0 0 464.587 4.568 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(SC)cc1 ZINC000010449598 555715638 /nfs/dbraw/zinc/71/56/38/555715638.db2.gz VWDJMWIZANBZAM-UHFFFAOYSA-N 0 0 496.654 4.982 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2cccc(Cl)c2)cc1 ZINC000010449735 555715912 /nfs/dbraw/zinc/71/59/12/555715912.db2.gz WWTXNGVWHFHLLH-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000010449811 555716241 /nfs/dbraw/zinc/71/62/41/555716241.db2.gz FAIILOCIZRJCMB-LJQANCHMSA-N 0 0 496.654 4.980 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000010449864 555716409 /nfs/dbraw/zinc/71/64/09/555716409.db2.gz FVLXHQZHSKPMIB-IBGZPJMESA-N 0 0 496.654 4.980 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000010449962 555716413 /nfs/dbraw/zinc/71/64/13/555716413.db2.gz YUXSNPGAIUHHLY-QGZVFWFLSA-N 0 0 452.601 4.825 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccc(C(C)C)cc2)cc1 ZINC000020235291 555727726 /nfs/dbraw/zinc/72/77/26/555727726.db2.gz LRTBABKCLVHWRR-UHFFFAOYSA-N 0 0 462.615 4.899 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)c2ccccc2F)cc1 ZINC000020236109 555729170 /nfs/dbraw/zinc/72/91/70/555729170.db2.gz WOBYBAMVJYBCFJ-UHFFFAOYSA-N 0 0 493.025 4.891 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCCSc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020236246 555729386 /nfs/dbraw/zinc/72/93/86/555729386.db2.gz VUYKIFSXGJWMBF-UHFFFAOYSA-N 0 0 498.670 4.724 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000010691578 555732953 /nfs/dbraw/zinc/73/29/53/555732953.db2.gz VYJNXLCMPWZDNC-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010692079 555733178 /nfs/dbraw/zinc/73/31/78/555733178.db2.gz VBSJEJFHUBRDGR-QGZVFWFLSA-N 0 0 483.461 4.673 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2Cl)cc1OC ZINC000020241984 555737963 /nfs/dbraw/zinc/73/79/63/555737963.db2.gz NBLNEEFFISMASV-WYMLVPIESA-N 0 0 464.949 4.982 40 0 JJABRN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3cccs3)C2=O)c1 ZINC000020274360 555749274 /nfs/dbraw/zinc/74/92/74/555749274.db2.gz ZRHYRSRKBWKYSP-NRFANRHFSA-N 0 0 483.977 4.819 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c3C)nn12 ZINC000014269313 555758578 /nfs/dbraw/zinc/75/85/78/555758578.db2.gz GGWZQOXATYTNHV-DHZHZOJOSA-N 0 0 468.995 4.649 40 0 JJABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000011117444 555760453 /nfs/dbraw/zinc/76/04/53/555760453.db2.gz LBHWQGQVBFHAAS-PMACEKPBSA-N 0 0 458.381 4.965 40 0 JJABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl ZINC000014270631 555763398 /nfs/dbraw/zinc/76/33/98/555763398.db2.gz IWLDCTDSGUKYAB-UHFFFAOYSA-N 0 0 451.935 4.961 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 ZINC000014270921 555764140 /nfs/dbraw/zinc/76/41/40/555764140.db2.gz VCYRGXPKFNTWQZ-UHFFFAOYSA-N 0 0 459.575 4.817 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CC(C)C)cc3n2)c(C)c1 ZINC000014270955 555764444 /nfs/dbraw/zinc/76/44/44/555764444.db2.gz HGGOSPULCXUZFQ-UHFFFAOYSA-N 0 0 452.628 4.743 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c(F)c1F ZINC000014271162 555765210 /nfs/dbraw/zinc/76/52/10/555765210.db2.gz CHRGECADJDCWHR-UHFFFAOYSA-N 0 0 471.657 4.794 40 0 JJABRN COc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccccc1Cl ZINC000014271202 555765466 /nfs/dbraw/zinc/76/54/66/555765466.db2.gz QJELIYVMHFXSMZ-UHFFFAOYSA-N 0 0 453.951 4.657 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1OC ZINC000014271209 555765488 /nfs/dbraw/zinc/76/54/88/555765488.db2.gz FGNZHTADEDYPCY-UHFFFAOYSA-N 0 0 457.596 4.986 40 0 JJABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Br)cc2)o1 ZINC000014271353 555766045 /nfs/dbraw/zinc/76/60/45/555766045.db2.gz ZXXRJDNRIQKNEF-UHFFFAOYSA-N 0 0 459.321 4.607 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000014271602 555767070 /nfs/dbraw/zinc/76/70/70/555767070.db2.gz QVEXURGIJOTTOC-HNNXBMFYSA-N 0 0 463.628 4.617 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccs1 ZINC000014271782 555767628 /nfs/dbraw/zinc/76/76/28/555767628.db2.gz MJRALTJWEFGWOO-UHFFFAOYSA-N 0 0 471.051 4.851 40 0 JJABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(I)c(C)n1 ZINC000014272429 555769978 /nfs/dbraw/zinc/76/99/78/555769978.db2.gz WJMJNFNSXLVOAX-ZZXKWVIFSA-N 0 0 463.102 4.962 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(N(C)C)cc1 ZINC000014272928 555771607 /nfs/dbraw/zinc/77/16/07/555771607.db2.gz GZTFRPYOUSKHLM-RUDMXATFSA-N 0 0 454.162 4.938 40 0 JJABRN COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(F)c1F ZINC000014273332 555772693 /nfs/dbraw/zinc/77/26/93/555772693.db2.gz ZDGIBILDRMAECI-MRVPVSSYSA-N 0 0 458.477 4.815 40 0 JJABRN CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000014273483 555773270 /nfs/dbraw/zinc/77/32/70/555773270.db2.gz JTGNBWWOBLEZHY-UHFFFAOYSA-N 0 0 468.351 4.630 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2Cl)CC1 ZINC000014273466 555773289 /nfs/dbraw/zinc/77/32/89/555773289.db2.gz WMNZVEKPWQWPKI-UHFFFAOYSA-N 0 0 464.393 4.768 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([C@@H](C)CC)cc2)CC1 ZINC000014273538 555773670 /nfs/dbraw/zinc/77/36/70/555773670.db2.gz WWNJAPOBZGZRBU-SFHVURJKSA-N 0 0 458.002 4.930 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 ZINC000014273527 555773691 /nfs/dbraw/zinc/77/36/91/555773691.db2.gz RXGHRIQFMLSDOW-UHFFFAOYSA-N 0 0 456.757 4.576 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)c(C)c3)nn12 ZINC000014273956 555775376 /nfs/dbraw/zinc/77/53/76/555775376.db2.gz MKXJBCCPOSQQTR-UHFFFAOYSA-N 0 0 494.646 4.885 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 ZINC000014274496 555776722 /nfs/dbraw/zinc/77/67/22/555776722.db2.gz UCTYJNBSCKRBMF-UHFFFAOYSA-N 0 0 487.423 4.824 40 0 JJABRN Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3)nn12 ZINC000014274684 555777544 /nfs/dbraw/zinc/77/75/44/555777544.db2.gz AWWCCKMWQOKJFB-UHFFFAOYSA-N 0 0 493.017 4.772 40 0 JJABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3O)nc2c1 ZINC000014275089 555779366 /nfs/dbraw/zinc/77/93/66/555779366.db2.gz BKUQRWRTNZVTHX-UHFFFAOYSA-N 0 0 475.526 4.661 40 0 JJABRN Cc1nc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)ccc1I ZINC000014275607 555781134 /nfs/dbraw/zinc/78/11/34/555781134.db2.gz XSULCZVPLHYALS-UHFFFAOYSA-N 0 0 487.366 4.640 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cccc(C)c2OC)ccc1-c1cc2ccccc2oc1=O ZINC000014276350 555783445 /nfs/dbraw/zinc/78/34/45/555783445.db2.gz VDFRJXCIFKASRY-UHFFFAOYSA-N 0 0 474.538 4.912 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000014276761 555784497 /nfs/dbraw/zinc/78/44/97/555784497.db2.gz VFDNFYRXKNCTLQ-UHFFFAOYSA-N 0 0 497.020 4.785 40 0 JJABRN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014277083 555785048 /nfs/dbraw/zinc/78/50/48/555785048.db2.gz CPEPWDPURQDPMD-VAWYXSNFSA-N 0 0 481.021 4.782 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014277403 555786015 /nfs/dbraw/zinc/78/60/15/555786015.db2.gz UCAFTPGHMWXURY-GORDUTHDSA-N 0 0 491.254 4.515 40 0 JJABRN COc1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1Cl ZINC000014278440 555788601 /nfs/dbraw/zinc/78/86/01/555788601.db2.gz KILDTGOYRYSFNM-UHFFFAOYSA-N 0 0 480.805 4.900 40 0 JJABRN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000020411884 555789592 /nfs/dbraw/zinc/78/95/92/555789592.db2.gz CCYGHCLNDYDWKI-UHFFFAOYSA-N 0 0 487.603 4.786 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1OC ZINC000020412066 555789862 /nfs/dbraw/zinc/78/98/62/555789862.db2.gz ZKCYYIZHTVYPTO-UHFFFAOYSA-N 0 0 451.479 4.778 40 0 JJABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC000014291021 555791999 /nfs/dbraw/zinc/79/19/99/555791999.db2.gz IQYVVYROLDJUGD-UHFFFAOYSA-N 0 0 474.344 4.810 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000014291109 555792262 /nfs/dbraw/zinc/79/22/62/555792262.db2.gz KRTHVMZXFBSWQA-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c(C)c1 ZINC000020528534 555792613 /nfs/dbraw/zinc/79/26/13/555792613.db2.gz TZMNAPWZIMHSIQ-OQLLNIDSSA-N 0 0 469.585 4.683 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2OC)cc1Br ZINC000014291341 555793182 /nfs/dbraw/zinc/79/31/82/555793182.db2.gz AMOQJACJMDBAIJ-UHFFFAOYSA-N 0 0 488.367 4.583 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000020528766 555793251 /nfs/dbraw/zinc/79/32/51/555793251.db2.gz YZHSEOVBXAXHNJ-UHFFFAOYSA-N 0 0 483.490 4.729 40 0 JJABRN O=C(CCCSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000020530595 555797869 /nfs/dbraw/zinc/79/78/69/555797869.db2.gz OANGWKQRYRTXLM-UHFFFAOYSA-N 0 0 498.612 4.967 40 0 JJABRN Cc1cccc(C)c1NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014359877 555798788 /nfs/dbraw/zinc/79/87/88/555798788.db2.gz NOCAKELJXDVEHJ-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl ZINC000014396464 555802171 /nfs/dbraw/zinc/80/21/71/555802171.db2.gz LSPCGDYWIHSEFS-UHFFFAOYSA-N 0 0 459.439 4.625 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014397486 555803320 /nfs/dbraw/zinc/80/33/20/555803320.db2.gz CVUXFGAMAISARG-UHFFFAOYSA-N 0 0 453.539 4.869 40 0 JJABRN CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)OCO2 ZINC000014398890 555804629 /nfs/dbraw/zinc/80/46/29/555804629.db2.gz HTLVFLQJIXHXKS-UHFFFAOYSA-N 0 0 488.949 4.656 40 0 JJABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(C)c1Cl ZINC000014399235 555804833 /nfs/dbraw/zinc/80/48/33/555804833.db2.gz FHQDWDSXXATABY-QGZVFWFLSA-N 0 0 450.988 4.537 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000014400269 555805856 /nfs/dbraw/zinc/80/58/56/555805856.db2.gz QOEDONACFOQGBE-UHFFFAOYSA-N 0 0 493.796 4.618 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014401801 555806888 /nfs/dbraw/zinc/80/68/88/555806888.db2.gz HNBFQDNTRNKUDC-UHFFFAOYSA-N 0 0 457.379 4.675 40 0 JJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000014404939 555807390 /nfs/dbraw/zinc/80/73/90/555807390.db2.gz HPBNRCJSFNSVCO-UHFFFAOYSA-N 0 0 482.496 4.622 40 0 JJABRN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000014404827 555807414 /nfs/dbraw/zinc/80/74/14/555807414.db2.gz SHAHXPURJKVELJ-UHFFFAOYSA-N 0 0 467.529 4.952 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000014411323 555810308 /nfs/dbraw/zinc/81/03/08/555810308.db2.gz DJUOLPNLPZWPAX-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1C ZINC000014413303 555812615 /nfs/dbraw/zinc/81/26/15/555812615.db2.gz LEGCPAKJIRBSQV-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000014413740 555812934 /nfs/dbraw/zinc/81/29/34/555812934.db2.gz ALZFUWMUQARZNU-UHFFFAOYSA-N 0 0 455.407 4.958 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414622 555813572 /nfs/dbraw/zinc/81/35/72/555813572.db2.gz KBTCEYFBSXODOU-UHFFFAOYSA-N 0 0 463.043 4.715 40 0 JJABRN CCCS(=O)(=O)c1c2ccc(C(C)(C)C)cn2c(C(=O)c2ccccc2)c1S(=O)(=O)CCC ZINC000020595737 555838988 /nfs/dbraw/zinc/83/89/88/555838988.db2.gz DFMBJMSQRFOTSN-UHFFFAOYSA-N 0 0 489.659 4.835 40 0 JJABRN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000020595595 555839084 /nfs/dbraw/zinc/83/90/84/555839084.db2.gz IZASUPSRZRMGJL-XMMPIXPASA-N 0 0 479.577 4.983 40 0 JJABRN COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000021270666 555850587 /nfs/dbraw/zinc/85/05/87/555850587.db2.gz SNDWUKDUOOSAQC-HMAPJEAMSA-N 0 0 494.569 4.960 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c1 ZINC000021577666 555851537 /nfs/dbraw/zinc/85/15/37/555851537.db2.gz PFFGQUKXAUQBQS-UHFFFAOYSA-N 0 0 469.541 4.721 40 0 JJABRN CSc1nnc2c(n1)O[C@@H](c1ccc(O)c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000015016395 555857790 /nfs/dbraw/zinc/85/77/90/555857790.db2.gz BEISWKNSULKDSX-HNNXBMFYSA-N 0 0 496.184 4.994 40 0 JJABRN C[C@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)Nc1ccccc1 ZINC000015079767 555872369 /nfs/dbraw/zinc/87/23/69/555872369.db2.gz JDBBACADRDJAKU-MZLPPYGWSA-N 0 0 476.960 4.657 40 0 JJABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000022109640 555876415 /nfs/dbraw/zinc/87/64/15/555876415.db2.gz IPLOORKVIFKDSH-UHFFFAOYSA-N 0 0 464.339 4.575 40 0 JJABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000022109631 555876525 /nfs/dbraw/zinc/87/65/25/555876525.db2.gz RGXUYLLWGPEMIL-UHFFFAOYSA-N 0 0 478.366 4.965 40 0 JJABRN CCOc1c(Br)cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)cc1OC ZINC000022111127 555878233 /nfs/dbraw/zinc/87/82/33/555878233.db2.gz XBPGEUJRCRCZJM-UHFFFAOYSA-N 0 0 465.373 4.530 40 0 JJABRN COc1cc(CNn2cn[nH]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022111761 555878934 /nfs/dbraw/zinc/87/89/34/555878934.db2.gz JNRMWSDGQKBEPX-UHFFFAOYSA-N 0 0 455.765 4.688 40 0 JJABRN C[C@H](/C=C1/C(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N1C)C(Cl)(Cl)Cl ZINC000015148545 555880853 /nfs/dbraw/zinc/88/08/53/555880853.db2.gz XJCMCNILUZGERI-NOHYCVQCSA-N 0 0 459.028 4.572 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000022229856 555888644 /nfs/dbraw/zinc/88/86/44/555888644.db2.gz QEHDXQDOOZAEAW-QGZVFWFLSA-N 0 0 477.797 4.756 40 0 JJABRN COc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@@H]2c2ccccc2)cc1OC ZINC000015229659 555888904 /nfs/dbraw/zinc/88/89/04/555888904.db2.gz AODRRDYPVYXXSX-XMMPIXPASA-N 0 0 458.543 4.974 40 0 JJABRN COc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@H]2c2ccccc2)cc1OC ZINC000015229660 555888962 /nfs/dbraw/zinc/88/89/62/555888962.db2.gz AODRRDYPVYXXSX-DEOSSOPVSA-N 0 0 458.543 4.974 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)ccc21 ZINC000022230242 555889230 /nfs/dbraw/zinc/88/92/30/555889230.db2.gz QFJZONPQKMZJLL-VWLOTQADSA-N 0 0 491.613 4.923 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000022230174 555889234 /nfs/dbraw/zinc/88/92/34/555889234.db2.gz KFWWVRAEWBPBTG-JOCHJYFZSA-N 0 0 482.627 4.947 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000022231066 555889419 /nfs/dbraw/zinc/88/94/19/555889419.db2.gz ONTGHENIDANLFD-UHFFFAOYSA-N 0 0 460.555 4.824 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000022231448 555889937 /nfs/dbraw/zinc/88/99/37/555889937.db2.gz ZTWQERLTRISULF-IBGZPJMESA-N 0 0 484.643 4.631 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000022231465 555890285 /nfs/dbraw/zinc/89/02/85/555890285.db2.gz ZZLAJKCJYAZGJN-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231588 555890292 /nfs/dbraw/zinc/89/02/92/555890292.db2.gz NDXWRRDYEWGKDU-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022231856 555890829 /nfs/dbraw/zinc/89/08/29/555890829.db2.gz FPTUJHFUTFDGLH-UHFFFAOYSA-N 0 0 470.616 4.701 40 0 JJABRN Cc1cc(C)cc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232113 555891430 /nfs/dbraw/zinc/89/14/30/555891430.db2.gz MGZSYIQPFMBFMM-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000022232144 555891457 /nfs/dbraw/zinc/89/14/57/555891457.db2.gz UTSAQSGFSPVBAR-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232244 555891711 /nfs/dbraw/zinc/89/17/11/555891711.db2.gz MSUDUIYLBBPHOP-UHFFFAOYSA-N 0 0 486.977 4.526 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000022232635 555892150 /nfs/dbraw/zinc/89/21/50/555892150.db2.gz HOYYDBAYDAFCDF-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000022233332 555893317 /nfs/dbraw/zinc/89/33/17/555893317.db2.gz QRIMRYLLOFLXOH-RUZDIDTESA-N 0 0 499.032 4.879 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1Cl ZINC000022233557 555893665 /nfs/dbraw/zinc/89/36/65/555893665.db2.gz WQGFWZYMGFJEQH-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022233816 555894217 /nfs/dbraw/zinc/89/42/17/555894217.db2.gz VOFFILICPUBRFE-QGZVFWFLSA-N 0 0 490.984 4.702 40 0 JJABRN CCn1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235910 555894398 /nfs/dbraw/zinc/89/43/98/555894398.db2.gz HLYXHZKNPMTNHQ-UHFFFAOYSA-N 0 0 481.596 4.577 40 0 JJABRN CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236913 555894429 /nfs/dbraw/zinc/89/44/29/555894429.db2.gz AJUYSLBVNLNKEA-UHFFFAOYSA-N 0 0 463.887 4.656 40 0 JJABRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246358 555896371 /nfs/dbraw/zinc/89/63/71/555896371.db2.gz GQMRHQUEXNYQIN-NRFANRHFSA-N 0 0 477.413 4.542 40 0 JJABRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000015320614 555897843 /nfs/dbraw/zinc/89/78/43/555897843.db2.gz QKZMJQOZAPPNGO-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000015320975 555898169 /nfs/dbraw/zinc/89/81/69/555898169.db2.gz ZCXUGULPWNUBLU-PXAZEXFGSA-N 0 0 467.743 4.667 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000022248045 555898435 /nfs/dbraw/zinc/89/84/35/555898435.db2.gz SUDNNVPNODJOTH-FDDCHVKYSA-N 0 0 487.021 4.506 40 0 JJABRN COc1cc(C(=O)Nc2c(C)cccc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253372 555901560 /nfs/dbraw/zinc/90/15/60/555901560.db2.gz YBKBRYNAAQPQEP-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Cl)cc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253440 555901804 /nfs/dbraw/zinc/90/18/04/555901804.db2.gz MTXSWMYDAUHQIF-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1cc(C(=O)Nc2ccc(F)cc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254023 555902401 /nfs/dbraw/zinc/90/24/01/555902401.db2.gz KPENTRKPYIHPTR-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)c(C)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254416 555902930 /nfs/dbraw/zinc/90/29/30/555902930.db2.gz QTKXMVSDZQGYSO-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN COc1cc(C(=O)Nc2cccc(Cl)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254453 555902957 /nfs/dbraw/zinc/90/29/57/555902957.db2.gz UKIYDKHAZFDFHL-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN COc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)C)n2)cc1OC ZINC000022256254 555904352 /nfs/dbraw/zinc/90/43/52/555904352.db2.gz PTOPXHSBIFKYKH-OAQYLSRUSA-N 0 0 478.593 4.716 40 0 JJABRN CC[C@@H](C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1 ZINC000022257684 555905567 /nfs/dbraw/zinc/90/55/67/555905567.db2.gz QFQFZWNCFGUJKM-OAHLLOKOSA-N 0 0 491.329 4.547 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258611 555906040 /nfs/dbraw/zinc/90/60/40/555906040.db2.gz GOBYGSGSHGUKBZ-UHFFFAOYSA-N 0 0 450.922 4.644 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)cc1C ZINC000022268244 555907006 /nfs/dbraw/zinc/90/70/06/555907006.db2.gz WXFLCKQLPJOTME-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1C ZINC000022268368 555907341 /nfs/dbraw/zinc/90/73/41/555907341.db2.gz SSXZLPHVERVHKR-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000022269449 555908297 /nfs/dbraw/zinc/90/82/97/555908297.db2.gz HNCBKOQYJJFDBN-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000022269461 555908336 /nfs/dbraw/zinc/90/83/36/555908336.db2.gz PETFZAOGBHGFIP-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(CC)cc2)cc1Cl ZINC000022269503 555908341 /nfs/dbraw/zinc/90/83/41/555908341.db2.gz KCJCERZAEATAAL-QHCPKHFHSA-N 0 0 487.021 4.829 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(CC)cc2)cc1Cl ZINC000022269506 555908355 /nfs/dbraw/zinc/90/83/55/555908355.db2.gz KCJCERZAEATAAL-HSZRJFAPSA-N 0 0 487.021 4.829 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000022269541 555908364 /nfs/dbraw/zinc/90/83/64/555908364.db2.gz YGLVLHLFAYONMH-NRFANRHFSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1Cl ZINC000022269476 555908366 /nfs/dbraw/zinc/90/83/66/555908366.db2.gz RICQTKGVEAQIER-JOCHJYFZSA-N 0 0 487.021 4.884 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022273913 555910410 /nfs/dbraw/zinc/91/04/10/555910410.db2.gz DLGQIYPHAJZUMB-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022273927 555910650 /nfs/dbraw/zinc/91/06/50/555910650.db2.gz QICHFDADNANZID-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022274160 555910702 /nfs/dbraw/zinc/91/07/02/555910702.db2.gz UQEFFXOWZYMERQ-UHFFFAOYSA-N 0 0 480.586 4.821 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274545 555911297 /nfs/dbraw/zinc/91/12/97/555911297.db2.gz ROYDLXTWMWZGGM-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN CN(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000022274515 555911301 /nfs/dbraw/zinc/91/13/01/555911301.db2.gz GOJXQWKFECSRDN-UHFFFAOYSA-N 0 0 462.493 4.559 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274738 555911635 /nfs/dbraw/zinc/91/16/35/555911635.db2.gz LCZFYQRDSDKUJR-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022274968 555911858 /nfs/dbraw/zinc/91/18/58/555911858.db2.gz PJWTXSZAPMRMDO-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022275481 555912437 /nfs/dbraw/zinc/91/24/37/555912437.db2.gz UIVGWBKDGNSYQW-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1OC ZINC000015529145 555913463 /nfs/dbraw/zinc/91/34/63/555913463.db2.gz HXCMNDNOKUUSIO-UHFFFAOYSA-N 0 0 468.575 4.693 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(Br)cc2)cc1 ZINC000022276384 555913746 /nfs/dbraw/zinc/91/37/46/555913746.db2.gz PQTPDTVODDICDZ-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000022276692 555914354 /nfs/dbraw/zinc/91/43/54/555914354.db2.gz DVGOBPZWAPRRRP-UHFFFAOYSA-N 0 0 490.581 4.999 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276861 555914358 /nfs/dbraw/zinc/91/43/58/555914358.db2.gz MRQMMTYVGQBCOZ-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277362 555914904 /nfs/dbraw/zinc/91/49/04/555914904.db2.gz SBLURNLXESUHIN-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277228 555914906 /nfs/dbraw/zinc/91/49/06/555914906.db2.gz AVYYTOVJBKCLLF-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(Cl)cc2C)cc1 ZINC000022277437 555915167 /nfs/dbraw/zinc/91/51/67/555915167.db2.gz YPHAUFRFJTXDMX-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000022278037 555915696 /nfs/dbraw/zinc/91/56/96/555915696.db2.gz BBCUXFMNWTWAKJ-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022278003 555915752 /nfs/dbraw/zinc/91/57/52/555915752.db2.gz MMYWPPAMUTVFQQ-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278154 555915966 /nfs/dbraw/zinc/91/59/66/555915966.db2.gz FQELQDSBPADSCY-UHFFFAOYSA-N 0 0 462.921 4.777 40 0 JJABRN O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015582803 555916616 /nfs/dbraw/zinc/91/66/16/555916616.db2.gz AUXZAQGSFBPTCI-UHFFFAOYSA-N 0 0 491.382 4.781 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022282063 555917346 /nfs/dbraw/zinc/91/73/46/555917346.db2.gz IRWNYWBTQVQJSU-RUZDIDTESA-N 0 0 466.603 4.775 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022303087 555919155 /nfs/dbraw/zinc/91/91/55/555919155.db2.gz QSEAKNIUXSWXKI-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000022303098 555919162 /nfs/dbraw/zinc/91/91/62/555919162.db2.gz SDGDZFOYGVRPTA-DEOSSOPVSA-N 0 0 466.603 4.720 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022306335 555919385 /nfs/dbraw/zinc/91/93/85/555919385.db2.gz MZHWRXILRUKYMD-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(OC)cc1 ZINC000022530420 555931861 /nfs/dbraw/zinc/93/18/61/555931861.db2.gz BCGPCDNAIMGXIP-RUZDIDTESA-N 0 0 450.560 4.569 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 ZINC000022530892 555931887 /nfs/dbraw/zinc/93/18/87/555931887.db2.gz WHWWDHOGMTYULX-UHFFFAOYSA-N 0 0 450.608 4.933 40 0 JJABRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(OC)cc1 ZINC000022530415 555931889 /nfs/dbraw/zinc/93/18/89/555931889.db2.gz BCGPCDNAIMGXIP-VWLOTQADSA-N 0 0 450.560 4.569 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(Cl)c2)cc1 ZINC000022535862 555933283 /nfs/dbraw/zinc/93/32/83/555933283.db2.gz PTMWMZYWCLCDAA-UHFFFAOYSA-N 0 0 453.951 4.633 40 0 JJABRN COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022565182 555935989 /nfs/dbraw/zinc/93/59/89/555935989.db2.gz RUEMIKJWXKQLEW-UHFFFAOYSA-N 0 0 458.514 4.811 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000022709554 555945325 /nfs/dbraw/zinc/94/53/25/555945325.db2.gz FNUPMETWANJEPO-UHFFFAOYSA-N 0 0 473.554 4.793 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000022713509 555946888 /nfs/dbraw/zinc/94/68/88/555946888.db2.gz GJXKCAFAZSFOHM-UHFFFAOYSA-N 0 0 477.409 4.924 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022741340 555949322 /nfs/dbraw/zinc/94/93/22/555949322.db2.gz LQVIOHIYNFTMDB-UHFFFAOYSA-N 0 0 483.977 4.642 40 0 JJABRN Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1C ZINC000022747637 555951693 /nfs/dbraw/zinc/95/16/93/555951693.db2.gz MOKJCPFUHRAHDJ-AREMUKBSSA-N 0 0 489.566 4.621 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1OC ZINC000023116382 556012252 /nfs/dbraw/zinc/01/22/52/556012252.db2.gz PHAQARIIBFPQTH-UHFFFAOYSA-N 0 0 496.585 4.536 40 0 JJABRN c1ccc2c(c1)nnn2[C@H](NC1CCCCC1)[C@@H](NC1CCCCC1)n1nnc2ccccc21 ZINC000023469481 556073562 /nfs/dbraw/zinc/07/35/62/556073562.db2.gz BUSAACUHTXKBEK-UIOOFZCWSA-N 0 0 458.614 4.718 40 0 JJABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000015940576 556075574 /nfs/dbraw/zinc/07/55/74/556075574.db2.gz LKTYJNZSEWMZIK-UHFFFAOYSA-N 0 0 469.994 4.753 40 0 JJABRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015940973 556075964 /nfs/dbraw/zinc/07/59/64/556075964.db2.gz ZEMICAKTIXMTGY-UHFFFAOYSA-N 0 0 469.994 4.753 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000023652543 556082339 /nfs/dbraw/zinc/08/23/39/556082339.db2.gz QOTGBDUKMTZWEM-UHFFFAOYSA-N 0 0 480.586 4.917 40 0 JJABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)c(Cl)c3N2)cc1 ZINC000012844339 556117119 /nfs/dbraw/zinc/11/71/19/556117119.db2.gz FQZXRFMWGJMNGA-HUUCEWRRSA-N 0 0 451.836 4.853 40 0 JJABRN COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016410106 556138614 /nfs/dbraw/zinc/13/86/14/556138614.db2.gz NTYFYOUJUQZSLP-OVBDPADQSA-N 0 0 457.486 4.967 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1Br ZINC000016692152 556153717 /nfs/dbraw/zinc/15/37/17/556153717.db2.gz WHWJILXNDKVMFC-UHFFFAOYSA-N 0 0 493.408 4.543 40 0 JJABRN Cc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H]3c4cc(Br)ccc4OC(=O)[C@H]23)o1 ZINC000016711996 556154024 /nfs/dbraw/zinc/15/40/24/556154024.db2.gz ZAIUYIMMBWRWTH-IHRRRGAJSA-N 0 0 450.335 4.614 40 0 JJABRN C[C@H]([C@H](O)c1ccccc1)N1CC[C@@H](N(C(=O)OCc2ccccc2)c2ccccc2)CC1=O ZINC000016697383 556154054 /nfs/dbraw/zinc/15/40/54/556154054.db2.gz HANSHLZNFNPMBN-RMXYQJDTSA-N 0 0 458.558 4.943 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@H]3C)cc12 ZINC000013023047 556212418 /nfs/dbraw/zinc/21/24/18/556212418.db2.gz NPQWILBOJTVYBK-PIKZIKFNSA-N 0 0 490.611 4.915 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024502 556214558 /nfs/dbraw/zinc/21/45/58/556214558.db2.gz XDHAVVFJMJADCL-MHZLTWQESA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024760 556214855 /nfs/dbraw/zinc/21/48/55/556214855.db2.gz SXUIXMKWNMKWEI-RUZDIDTESA-N 0 0 489.645 4.876 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024863 556215135 /nfs/dbraw/zinc/21/51/35/556215135.db2.gz LCEBCNNVRPPXAZ-RUZDIDTESA-N 0 0 473.552 4.650 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013025695 556216605 /nfs/dbraw/zinc/21/66/05/556216605.db2.gz LNJLWBDOXWVRDB-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)c1 ZINC000013025826 556216963 /nfs/dbraw/zinc/21/69/63/556216963.db2.gz VMQLMYHDLLCODQ-VWLOTQADSA-N 0 0 462.546 4.739 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)cc2OC)c1 ZINC000013025894 556217245 /nfs/dbraw/zinc/21/72/45/556217245.db2.gz MKBWIBDZQBFASE-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1OC ZINC000013026292 556218122 /nfs/dbraw/zinc/21/81/22/556218122.db2.gz ZQBLFMIMBYRBQI-QHCPKHFHSA-N 0 0 468.575 4.801 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1OC ZINC000013026302 556218206 /nfs/dbraw/zinc/21/82/06/556218206.db2.gz UEEQOTUHNIKJCK-RUZDIDTESA-N 0 0 480.536 4.878 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1 ZINC000013026502 556218784 /nfs/dbraw/zinc/21/87/84/556218784.db2.gz BXRJLHAOHFFFSM-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)cc1 ZINC000013026573 556218966 /nfs/dbraw/zinc/21/89/66/556218966.db2.gz HGGYUJBTOSRNBN-VWLOTQADSA-N 0 0 475.545 4.694 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013026585 556218986 /nfs/dbraw/zinc/21/89/86/556218986.db2.gz IPXVIMXYPRUYCS-VWLOTQADSA-N 0 0 460.530 4.938 40 0 JJABRN COc1ccc2nc(NC(=O)CSc3nnc4c5c6c(sc5nc(C)n34)CCCC6)sc2c1 ZINC000013028065 556221382 /nfs/dbraw/zinc/22/13/82/556221382.db2.gz WIMKJELKRISZGR-UHFFFAOYSA-N 0 0 496.643 4.875 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1 ZINC000013029020 556223293 /nfs/dbraw/zinc/22/32/93/556223293.db2.gz VSVSSLONTHBUGH-AREMUKBSSA-N 0 0 469.589 4.683 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccsc2)cc1 ZINC000013029391 556223702 /nfs/dbraw/zinc/22/37/02/556223702.db2.gz BBVFGQZPVYDFIH-SANMLTNESA-N 0 0 487.629 4.889 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013031368 556227709 /nfs/dbraw/zinc/22/77/09/556227709.db2.gz MZEHFKPJWSTWEI-XMMPIXPASA-N 0 0 479.968 4.615 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)o1 ZINC000013031584 556228291 /nfs/dbraw/zinc/22/82/91/556228291.db2.gz ZTMZANGMLLVBHE-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013031679 556228904 /nfs/dbraw/zinc/22/89/04/556228904.db2.gz AZGZZZACWXAHJD-XMMPIXPASA-N 0 0 479.581 4.569 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013031685 556228962 /nfs/dbraw/zinc/22/89/62/556228962.db2.gz SCAWKNZERHPOBR-XMMPIXPASA-N 0 0 479.581 4.569 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032061 556230244 /nfs/dbraw/zinc/23/02/44/556230244.db2.gz ISWIYZYXLBADJO-SANMLTNESA-N 0 0 487.604 4.716 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032370 556230848 /nfs/dbraw/zinc/23/08/48/556230848.db2.gz KZVNRJWYXKJVGY-AREMUKBSSA-N 0 0 485.588 4.525 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1ccc(C)o1 ZINC000013032220 556230849 /nfs/dbraw/zinc/23/08/49/556230849.db2.gz VREHDAXZZYHDIV-SANMLTNESA-N 0 0 487.604 4.974 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013032363 556230879 /nfs/dbraw/zinc/23/08/79/556230879.db2.gz JVFFHICRKQUVHY-MHZLTWQESA-N 0 0 499.615 4.833 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1ccco1 ZINC000013032536 556231430 /nfs/dbraw/zinc/23/14/30/556231430.db2.gz JRPJTQRKFQOYGQ-RUZDIDTESA-N 0 0 473.577 4.666 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013032481 556231479 /nfs/dbraw/zinc/23/14/79/556231479.db2.gz YICWNFMHROABDX-QHCPKHFHSA-N 0 0 479.968 4.757 40 0 JJABRN CC(C)(C[NH+]1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccc(Br)cc1 ZINC000017221007 556242506 /nfs/dbraw/zinc/24/25/06/556242506.db2.gz RRGMXASOBKVGMC-SFHVURJKSA-N 0 0 492.501 4.583 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)N1CCCC1 ZINC000026114804 556245461 /nfs/dbraw/zinc/24/54/61/556245461.db2.gz AEDWZCSHUPCYAR-UHFFFAOYSA-N 0 0 469.426 4.516 40 0 JJABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026116795 556246657 /nfs/dbraw/zinc/24/66/57/556246657.db2.gz HFDDNAHCXJVKLP-UHFFFAOYSA-N 0 0 490.647 4.792 40 0 JJABRN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000026464834 556254782 /nfs/dbraw/zinc/25/47/82/556254782.db2.gz QNZBULOUMDUNEK-HYARGMPZSA-N 0 0 476.941 4.728 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064162 556261577 /nfs/dbraw/zinc/26/15/77/556261577.db2.gz NFMKIRWBFQOMBM-RUZDIDTESA-N 0 0 490.583 4.607 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064198 556261623 /nfs/dbraw/zinc/26/16/23/556261623.db2.gz SBWSFLVKBCOEGH-AREMUKBSSA-N 0 0 486.620 4.662 40 0 JJABRN CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)CC1 ZINC000013083129 556279050 /nfs/dbraw/zinc/27/90/50/556279050.db2.gz ADDCTMZMLBEUAI-UHFFFAOYSA-N 0 0 478.641 4.949 40 0 JJABRN CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[nH]2)CC1 ZINC000013083128 556279171 /nfs/dbraw/zinc/27/91/71/556279171.db2.gz CWUGUYFIAOHTCU-UHFFFAOYSA-N 0 0 464.614 4.559 40 0 JJABRN CC(C)(C)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCCCC4)C2)[nH]c3=O)cc1 ZINC000013083448 556279944 /nfs/dbraw/zinc/27/99/44/556279944.db2.gz AGWCOHDXHWZCHY-FQEVSTJZSA-N 0 0 476.625 4.559 40 0 JJABRN CCCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)C1 ZINC000013083662 556280627 /nfs/dbraw/zinc/28/06/27/556280627.db2.gz DBYVKIXGTZMDIS-INIZCTEOSA-N 0 0 491.423 4.958 40 0 JJABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)c(C)c1 ZINC000013084409 556281807 /nfs/dbraw/zinc/28/18/07/556281807.db2.gz NKXNEYJBXMUGPC-QFIPXVFZSA-N 0 0 451.592 4.527 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000027825762 556308533 /nfs/dbraw/zinc/30/85/33/556308533.db2.gz MKQIZANSDYUDMW-UHFFFAOYSA-N 0 0 458.514 4.812 40 0 JJABRN CC(=O)O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000027889499 556309481 /nfs/dbraw/zinc/30/94/81/556309481.db2.gz CPWPSDGLXXKBKZ-ZZXHUEHTSA-N 0 0 462.542 4.662 40 0 JJABRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N3)CC2 ZINC000018209691 556310506 /nfs/dbraw/zinc/31/05/06/556310506.db2.gz IMPNGYFQBHHRML-CQURBHOASA-N 0 0 490.482 4.913 40 0 JJABRN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000028048238 556313541 /nfs/dbraw/zinc/31/35/41/556313541.db2.gz JZWXEGQDPITNAI-NRFANRHFSA-N 0 0 453.930 4.538 40 0 JJABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000028206695 556317379 /nfs/dbraw/zinc/31/73/79/556317379.db2.gz NFBDVQVFBFZEPI-UHFFFAOYSA-N 0 0 478.570 4.647 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000028208179 556318590 /nfs/dbraw/zinc/31/85/90/556318590.db2.gz ATBXCUQTQGFQLD-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCc4ccccc4)cc3c2)cc1OC ZINC000028208902 556319535 /nfs/dbraw/zinc/31/95/35/556319535.db2.gz CXPMTQFZWHKHEZ-UHFFFAOYSA-N 0 0 496.610 4.674 40 0 JJABRN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000028304773 556331598 /nfs/dbraw/zinc/33/15/98/556331598.db2.gz DQNILRVRSOGVDQ-OALUTQOASA-N 0 0 453.608 4.911 40 0 JJABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1OC(F)F ZINC000028418941 556333375 /nfs/dbraw/zinc/33/33/75/556333375.db2.gz SXZXHIUMHFORGG-UHFFFAOYSA-N 0 0 453.470 4.718 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221033 556335379 /nfs/dbraw/zinc/33/53/79/556335379.db2.gz OHJCBRYTQANPDY-MHZLTWQESA-N 0 0 496.615 4.906 40 0 aggregator JJABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019519911 556350775 /nfs/dbraw/zinc/35/07/75/556350775.db2.gz XCMIKXKEJMDYGE-SANMLTNESA-N 0 0 484.604 4.566 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522990 556351187 /nfs/dbraw/zinc/35/11/87/556351187.db2.gz QVXVVKYRUZWTNN-MHZLTWQESA-N 0 0 478.600 4.737 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019568130 556354939 /nfs/dbraw/zinc/35/49/39/556354939.db2.gz ZUZHXHDHHBMKHF-SANMLTNESA-N 0 0 468.605 4.784 40 0 JJABRN Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019569193 556355252 /nfs/dbraw/zinc/35/52/52/556355252.db2.gz SUQVVSPLFLTAJV-AREMUKBSSA-N 0 0 468.605 4.784 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000030758213 556373895 /nfs/dbraw/zinc/37/38/95/556373895.db2.gz QCBKPGGJSGAFOX-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC ZINC000030851964 556377974 /nfs/dbraw/zinc/37/79/74/556377974.db2.gz MBZKPQGATMJDDN-MOPGFXCFSA-N 0 0 498.601 4.528 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc(C(=O)OC)c1 ZINC000030853740 556379002 /nfs/dbraw/zinc/37/90/02/556379002.db2.gz BSRUZEOWNMMGOO-UHFFFAOYSA-N 0 0 465.527 4.683 40 0 JJABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2)cc1 ZINC000030857897 556380555 /nfs/dbraw/zinc/38/05/55/556380555.db2.gz ABVQALQTORFURI-UHFFFAOYSA-N 0 0 465.575 4.860 40 0 JJABRN COc1ccc(OC[C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030861660 556381868 /nfs/dbraw/zinc/38/18/68/556381868.db2.gz IAGVWAGTQOPLRU-KRWDZBQOSA-N 0 0 488.993 4.655 40 0 JJABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC ZINC000030861240 556381995 /nfs/dbraw/zinc/38/19/95/556381995.db2.gz CKVYVFZTFBGADQ-UHFFFAOYSA-N 0 0 494.613 4.774 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 ZINC000030863566 556382832 /nfs/dbraw/zinc/38/28/32/556382832.db2.gz SCVOTUFCYZVDBD-UHFFFAOYSA-N 0 0 487.984 4.551 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000030864789 556383014 /nfs/dbraw/zinc/38/30/14/556383014.db2.gz CFJJNWSAMXLTGZ-UHFFFAOYSA-N 0 0 472.950 4.594 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030865592 556383082 /nfs/dbraw/zinc/38/30/82/556383082.db2.gz MISHSGLAZMXHJY-UHFFFAOYSA-N 0 0 498.608 4.693 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000030869154 556384495 /nfs/dbraw/zinc/38/44/95/556384495.db2.gz TXVPWXGWAXKXPZ-UHFFFAOYSA-N 0 0 470.616 4.562 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000030870568 556385123 /nfs/dbraw/zinc/38/51/23/556385123.db2.gz SUEVDQKWUFTQSJ-DYESRHJHSA-N 0 0 469.434 4.803 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)c1 ZINC000030871346 556385126 /nfs/dbraw/zinc/38/51/26/556385126.db2.gz QZAHTJZRCVONCD-UHFFFAOYSA-N 0 0 466.603 4.678 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000030870577 556385181 /nfs/dbraw/zinc/38/51/81/556385181.db2.gz SUEVDQKWUFTQSJ-LAUBAEHRSA-N 0 0 469.434 4.803 40 0 JJABRN O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000030871555 556385397 /nfs/dbraw/zinc/38/53/97/556385397.db2.gz MFCDJNXOXOQQQQ-UHFFFAOYSA-N 0 0 476.598 4.544 40 0 JJABRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000030872357 556385672 /nfs/dbraw/zinc/38/56/72/556385672.db2.gz TXCNLBKGTNDCJW-NDEPHWFRSA-N 0 0 485.609 4.882 40 0 JJABRN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000030952743 556389668 /nfs/dbraw/zinc/38/96/68/556389668.db2.gz HFBFJYFBFRAVSS-UHFFFAOYSA-N 0 0 471.531 4.879 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000019820461 556389694 /nfs/dbraw/zinc/38/96/94/556389694.db2.gz LSHHHDDZPJXADU-DQEYMECFSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000019820563 556389906 /nfs/dbraw/zinc/38/99/06/556389906.db2.gz IFRSXLBQVYEWIB-FTJBHMTQSA-N 0 0 483.568 4.793 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(F)c1 ZINC000019820605 556390245 /nfs/dbraw/zinc/39/02/45/556390245.db2.gz FVHRQBBDCDSJHE-ZEQRLZLVSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000019820686 556390457 /nfs/dbraw/zinc/39/04/57/556390457.db2.gz JLBHZDYBELTTEQ-ZEQRLZLVSA-N 0 0 457.505 4.533 40 0 JJABRN COc1ccc(C2=NN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101051 556416717 /nfs/dbraw/zinc/41/67/17/556416717.db2.gz DDHITPRZOKQUQI-NSPYISDASA-N 0 0 477.266 4.657 40 0 JJABRN O=C(CCCc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101413 556417059 /nfs/dbraw/zinc/41/70/59/556417059.db2.gz XRDMAKVWFWSDBM-LJQANCHMSA-N 0 0 455.274 4.659 40 0 JJABRN COc1ccc2c(c1)c(CC(=O)NCCc1ccc(OC)c(OC)c1)c(C)n2C(=O)c1ccccc1 ZINC000032109934 556420170 /nfs/dbraw/zinc/42/01/70/556420170.db2.gz WZAMLBSWZMKBFO-UHFFFAOYSA-N 0 0 486.568 4.565 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=O)c2cccc(I)c2)cc1OC ZINC000032114828 556421635 /nfs/dbraw/zinc/42/16/35/556421635.db2.gz XZDVJWVGJDRVIR-UHFFFAOYSA-N 0 0 452.292 4.681 40 0 JJABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1Cl ZINC000032125176 556429093 /nfs/dbraw/zinc/42/90/93/556429093.db2.gz XVAZEFPIQSKFIC-UHFFFAOYSA-N 0 0 450.366 4.559 40 0 JJABRN COc1cc2sc(NC(=S)NC(=O)c3ccc(Br)cc3)nc2cc1Cl ZINC000032126301 556430046 /nfs/dbraw/zinc/43/00/46/556430046.db2.gz UWFDJPCFRQPXLP-UHFFFAOYSA-N 0 0 456.774 4.848 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc5ccccc54)c3)nn12 ZINC000032127640 556432161 /nfs/dbraw/zinc/43/21/61/556432161.db2.gz ZNPKQNFKYLRIPK-UHFFFAOYSA-N 0 0 458.572 4.750 40 0 JJABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000032127761 556432357 /nfs/dbraw/zinc/43/23/57/556432357.db2.gz KXBIJCVPZPDZTO-UHFFFAOYSA-N 0 0 487.585 4.927 40 0 JJABRN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000032340268 556434646 /nfs/dbraw/zinc/43/46/46/556434646.db2.gz MIZWDNRQDAIPGW-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 ZINC000032604812 556450453 /nfs/dbraw/zinc/45/04/53/556450453.db2.gz JMFQPPSVDYHORF-UHFFFAOYSA-N 0 0 454.733 4.795 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1cc(Cl)cc(Cl)c1 ZINC000032639710 556459262 /nfs/dbraw/zinc/45/92/62/556459262.db2.gz FODVNFWUJJKZDB-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640509 556462881 /nfs/dbraw/zinc/46/28/81/556462881.db2.gz AAIUURPHUQFSHG-RBUKOAKNSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640833 556464042 /nfs/dbraw/zinc/46/40/42/556464042.db2.gz GNRQUBMJRCHBLB-DLBZAZTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640908 556464530 /nfs/dbraw/zinc/46/45/30/556464530.db2.gz KXWQPWALIRINOZ-DLBZAZTESA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Br)cc1F)N2c1ccc(Cl)cc1 ZINC000032640905 556464567 /nfs/dbraw/zinc/46/45/67/556464567.db2.gz KXWQPWALIRINOZ-SJORKVTESA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1F)N2c1cc(C(F)(F)F)ccc1Cl ZINC000032641133 556465160 /nfs/dbraw/zinc/46/51/60/556465160.db2.gz UVPLGMLRUGNQET-WBVHZDCISA-N 0 0 478.920 4.773 40 0 JJABRN Cc1cc(C)cc(-n2c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3c3ccccc3c2=O)c1 ZINC000032957390 556570317 /nfs/dbraw/zinc/57/03/17/556570317.db2.gz KVXWUBVYVAIRAQ-UHFFFAOYSA-N 0 0 483.597 4.998 40 0 JJABRN C[C@@]1(O)CCN(Cc2cc(-c3ccccc3)no2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289325 560032972 /nfs/dbraw/zinc/03/29/72/560032972.db2.gz IHSXRFBVZZCPBK-HPUNYJORSA-N 0 0 485.559 4.977 40 0 biogenic,in-vitro JJABRN C/C=C/[C@@H]1[C@@H]2C[C@H](C)CC[C@@H]2[C@](C)(O)[C@@H](OC)[C@H]1C(=O)c1c(O)c(-c2ccc(O)cc2)c[nH]c1=O ZINC000514287917 560035746 /nfs/dbraw/zinc/03/57/46/560035746.db2.gz IPKLRUUQQXIZIE-GHAPSPIFSA-N 0 0 481.589 4.689 40 0 biogenic,in-vitro JJABRN CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896793 560050277 /nfs/dbraw/zinc/05/02/77/560050277.db2.gz AATKPIUOQFYLBQ-FYYLOGMGSA-N 0 0 478.511 4.541 40 0 biogenic,in-vitro JJABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000008586083 562940825 /nfs/dbraw/zinc/94/08/25/562940825.db2.gz OMJMXIRCUWUCCU-AREMUKBSSA-N 0 0 495.587 4.718 40 0 JJABRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000013474656 562966791 /nfs/dbraw/zinc/96/67/91/562966791.db2.gz FRZNJFWQVYAVCE-UHFFFAOYSA-N 0 0 477.609 4.833 40 0 in-vitro JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@@H]2COc3ccccc3O2)o1 ZINC000038556065 563135056 /nfs/dbraw/zinc/13/50/56/563135056.db2.gz AJBIHCPKMNRYIF-LOSJGSFVSA-N 0 0 478.545 4.540 40 0 JJABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000054201049 569589403 /nfs/dbraw/zinc/58/94/03/569589403.db2.gz UJNJUOPKMWROIY-JOCHJYFZSA-N 0 0 487.419 4.594 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)cc4OC)ccc3O)nc2c1 ZINC000057312811 569596348 /nfs/dbraw/zinc/59/63/48/569596348.db2.gz STCILTIXYTWPLN-UHFFFAOYSA-N 0 0 477.542 4.907 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1 ZINC000057313452 569596570 /nfs/dbraw/zinc/59/65/70/569596570.db2.gz DHPZEWWTLOHUJX-UHFFFAOYSA-N 0 0 461.528 4.635 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)nn12 ZINC000057313790 569596867 /nfs/dbraw/zinc/59/68/67/569596867.db2.gz WHEGWUJYLTURLN-WYMLVPIESA-N 0 0 486.582 4.948 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1ccccc1Cl ZINC000057315906 569597396 /nfs/dbraw/zinc/59/73/96/569597396.db2.gz CRPFCNGWICIURN-UHFFFAOYSA-N 0 0 497.989 4.732 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)c(F)c1F ZINC000057316053 569597486 /nfs/dbraw/zinc/59/74/86/569597486.db2.gz MVNZNBGWZABUST-UHFFFAOYSA-N 0 0 481.427 4.532 40 0 JJABRN COc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1OC ZINC000057316316 569597664 /nfs/dbraw/zinc/59/76/64/569597664.db2.gz FSRWPVVORFIEFH-UHFFFAOYSA-N 0 0 475.364 4.531 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000057316432 569597784 /nfs/dbraw/zinc/59/77/84/569597784.db2.gz JAAVZRYMIABSNA-UHFFFAOYSA-N 0 0 466.651 4.632 40 0 JJABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3sc4c(c3C(N)=O)CCC4)o2)cc1Cl ZINC000057316538 569597896 /nfs/dbraw/zinc/59/78/96/569597896.db2.gz ZCQCELQEPUYZBV-UHFFFAOYSA-N 0 0 459.980 4.684 40 0 JJABRN CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057316694 569598015 /nfs/dbraw/zinc/59/80/15/569598015.db2.gz PUYBBJXXKHMNFC-UHFFFAOYSA-N 0 0 489.922 4.521 40 0 JJABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1Cl ZINC000057317124 569598342 /nfs/dbraw/zinc/59/83/42/569598342.db2.gz OOKXWLYCOHPQQC-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000057327834 569598724 /nfs/dbraw/zinc/59/87/24/569598724.db2.gz IAGJFOQBMPAIAD-UHFFFAOYSA-N 0 0 460.559 4.873 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2Br)cc1 ZINC000059444149 569603973 /nfs/dbraw/zinc/60/39/73/569603973.db2.gz HWBQCSZHSIHKRA-UHFFFAOYSA-N 0 0 487.419 4.630 40 0 JJABRN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059444564 569603990 /nfs/dbraw/zinc/60/39/90/569603990.db2.gz RXFIUCZZRLMBRA-UHFFFAOYSA-N 0 0 487.419 4.630 40 0 JJABRN COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1 ZINC000059489579 569605709 /nfs/dbraw/zinc/60/57/09/569605709.db2.gz VNSHEALZENHVPZ-UHFFFAOYSA-N 0 0 499.643 4.500 40 0 JJABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1cccs1 ZINC000059534596 569606568 /nfs/dbraw/zinc/60/65/68/569606568.db2.gz IQLBORAPRHXAOK-JRPADEDPSA-N 0 0 498.629 4.662 40 0 JJABRN CCCn1c2nnc(SCc3cccc(Cl)c3)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032986160 569608780 /nfs/dbraw/zinc/60/87/80/569608780.db2.gz PVAFAXZAJYKKDT-UHFFFAOYSA-N 0 0 484.025 4.786 40 0 JJABRN CC[C@H](C)NC(=O)c1ccc2c(c1)n1c(SCc3ccc(C)cc3)nnc1n(CC(C)C)c2=O ZINC000032986317 569608823 /nfs/dbraw/zinc/60/88/23/569608823.db2.gz PWIOISXLUBQKQJ-SFHVURJKSA-N 0 0 477.634 4.829 40 0 JJABRN COC(=O)CCCNC(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000062714838 569614278 /nfs/dbraw/zinc/61/42/78/569614278.db2.gz OMHBPYOKIHMDBW-PKNBQFBNSA-N 0 0 452.334 4.664 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000033376094 569625288 /nfs/dbraw/zinc/62/52/88/569625288.db2.gz YRGSGYMQJZPWEH-UHFFFAOYSA-N 0 0 495.359 4.901 40 0 JJABRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccccc1I ZINC000033380758 569625366 /nfs/dbraw/zinc/62/53/66/569625366.db2.gz HRLJULKMGNXZQK-UHFFFAOYSA-N 0 0 485.778 4.672 40 0 JJABRN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000033401761 569625882 /nfs/dbraw/zinc/62/58/82/569625882.db2.gz AHWGVEUPDHHMOS-SFHVURJKSA-N 0 0 473.392 4.642 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)C2CCCCC2)cc1Cl ZINC000033438906 569626368 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569681726 /nfs/dbraw/zinc/68/17/26/569681726.db2.gz DJWFCRYPCUCHFQ-UHFFFAOYSA-N 0 0 489.395 4.541 40 0 JJABRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@H]2CSCN21 ZINC000035374593 569684242 /nfs/dbraw/zinc/68/42/42/569684242.db2.gz NOBJAYXFPCKAEJ-UWQCJCJPSA-N 0 0 484.577 4.543 40 0 JJABRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCCOc1ccc(OC)cc1 ZINC000035405201 569691751 /nfs/dbraw/zinc/69/17/51/569691751.db2.gz BIWNCJKGRHTUHQ-MDWZMJQESA-N 0 0 485.009 4.627 40 0 JJABRN Cc1cc(I)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000072113908 569699606 /nfs/dbraw/zinc/69/96/06/569699606.db2.gz LDAUKUQTBXSVRC-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000072332873 569703038 /nfs/dbraw/zinc/70/30/38/569703038.db2.gz QYGPFTLXAZGSEF-JISQWNQRSA-N 0 0 492.741 4.827 40 0 biogenic JJABRN O=C(C1CC1)N1CCC(O)(Cn2nc(-c3cccnc3)c3cc(Nc4ccc(F)cc4)ccc32)CC1 ZINC000072397245 569703657 /nfs/dbraw/zinc/70/36/57/569703657.db2.gz VGZHQFNOBIKFAM-UHFFFAOYSA-N 0 0 485.563 4.745 40 0 JJABRN COC(=O)c1ccc(NC(=O)CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 ZINC000072420814 569704066 /nfs/dbraw/zinc/70/40/66/569704066.db2.gz UZODAWMLIAIANM-UHFFFAOYSA-N 0 0 496.372 4.905 40 0 JJABRN CC(C)OC(=O)Cn1c(CCCC[C@H]2Nc3ccccc3N2CC(=O)OC(C)C)nc2ccccc21 ZINC000082086766 569708139 /nfs/dbraw/zinc/70/81/39/569708139.db2.gz LQVAKSLHLNCZQH-VWLOTQADSA-N 0 0 492.620 4.911 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000095483650 569725138 /nfs/dbraw/zinc/72/51/38/569725138.db2.gz ICACOPHHXSRWJD-ZNZIZOMTSA-N 0 0 450.494 4.900 40 0 JJABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5cccnc5)cc43)cs2)cc1 ZINC000096154435 569736557 /nfs/dbraw/zinc/73/65/57/569736557.db2.gz QSAXAYWHXDTKSF-UHFFFAOYSA-N 0 0 456.527 4.994 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4C[C@@H](C)CC[C@H]4C)cc3N2)cc1OC ZINC000036007489 569747782 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C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000038751835 569806327 /nfs/dbraw/zinc/80/63/27/569806327.db2.gz RBRASZXHHYEKQG-DFBJGRDBSA-N 0 0 464.587 4.827 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000038753068 569806406 /nfs/dbraw/zinc/80/64/06/569806406.db2.gz DPCGFWOENYFIJD-HSZRJFAPSA-N 0 0 472.994 4.811 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000038753586 569806526 /nfs/dbraw/zinc/80/65/26/569806526.db2.gz WYMZYMQYZXFIPX-UHFFFAOYSA-N 0 0 488.993 4.739 40 0 JJABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000038753415 569806578 /nfs/dbraw/zinc/80/65/78/569806578.db2.gz KEVHHDMMSYUEBF-UHFFFAOYSA-N 0 0 460.530 4.696 40 0 JJABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038756393 569807288 /nfs/dbraw/zinc/80/72/88/569807288.db2.gz JAGGSIKEAZYYAS-UHFFFAOYSA-N 0 0 490.412 4.757 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000038756342 569807300 /nfs/dbraw/zinc/80/73/00/569807300.db2.gz XNFABBLHCSRSKR-OFVILXPXSA-N 0 0 450.604 4.672 40 0 JJABRN COc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000038756406 569807307 /nfs/dbraw/zinc/80/73/07/569807307.db2.gz UMXDGDZJHJBFMF-UHFFFAOYSA-N 0 0 458.967 4.512 40 0 JJABRN O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn21)N1N=CC[C@@H]1c1ccccc1 ZINC000038784202 569807911 /nfs/dbraw/zinc/80/79/11/569807911.db2.gz UYNHFWWGQZQQLP-JOCHJYFZSA-N 0 0 464.554 4.996 40 0 JJABRN CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N(C)C1=S ZINC000039556332 569810379 /nfs/dbraw/zinc/81/03/79/569810379.db2.gz UUZZBQGUNHGVOD-JAIQZWGSSA-N 0 0 454.393 4.872 40 0 JJABRN CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)NC1=S ZINC000039556744 569810752 /nfs/dbraw/zinc/81/07/52/569810752.db2.gz SBJSMOPFQHSFDC-IDUWFGFVSA-N 0 0 478.774 4.932 40 0 JJABRN O=c1/c(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(/C=C/c3ccc(F)cc3)nn12 ZINC000102392332 569812836 /nfs/dbraw/zinc/81/28/36/569812836.db2.gz BXHCQDKCSIZLFS-PLJQUDPYSA-N 0 0 491.551 4.861 40 0 JJABRN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000102405581 569812910 /nfs/dbraw/zinc/81/29/10/569812910.db2.gz MYNYSEUTTLCYRK-DEOSSOPVSA-N 0 0 493.604 4.583 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000039986408 569813234 /nfs/dbraw/zinc/81/32/34/569813234.db2.gz VCROWFTZFOOQEQ-UHFFFAOYSA-N 0 0 464.893 4.650 40 0 JJABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033135 569814407 /nfs/dbraw/zinc/81/44/07/569814407.db2.gz SSASIBVXZGDNNA-FHMSYZJOSA-N 0 0 494.616 4.726 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000102740943 569819111 /nfs/dbraw/zinc/81/91/11/569819111.db2.gz DSYZJMGRRPONHU-UWHLTILDSA-N 0 0 477.927 4.673 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 ZINC000102745103 569819701 /nfs/dbraw/zinc/81/97/01/569819701.db2.gz GPZHXGOHLIVBGJ-XSDIEEQYSA-N 0 0 459.937 4.533 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1C ZINC000102766054 569822863 /nfs/dbraw/zinc/82/28/63/569822863.db2.gz YYQNJIUEUKXAON-XQUALCHDSA-N 0 0 454.551 4.763 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1C ZINC000102766055 569822864 /nfs/dbraw/zinc/82/28/64/569822864.db2.gz YYQNJIUEUKXAON-CJRSTVEYSA-N 0 0 454.551 4.763 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000102767309 569823193 /nfs/dbraw/zinc/82/31/93/569823193.db2.gz IUDQKXZNIVWKNW-TUFLPTIASA-N 0 0 459.937 4.533 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(Br)cc1 ZINC000040372529 569824091 /nfs/dbraw/zinc/82/40/91/569824091.db2.gz YUQIUFZDTKPVJK-UHFFFAOYSA-N 0 0 480.366 4.878 40 0 JJABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccccc45)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396009 569825494 /nfs/dbraw/zinc/82/54/94/569825494.db2.gz UJBGIADBNPNRNC-UHFFFAOYSA-N 0 0 454.921 4.792 40 0 JJABRN COc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccc(F)cc6)c(C)nn54)c3=O)c2c1 ZINC000040396989 569825699 /nfs/dbraw/zinc/82/56/99/569825699.db2.gz JLBAHCJNMZGYTG-UHFFFAOYSA-N 0 0 467.504 4.891 40 0 JJABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397517 569825827 /nfs/dbraw/zinc/82/58/27/569825827.db2.gz FKZOGCMUYHMZCY-UHFFFAOYSA-N 0 0 478.339 4.964 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399385 569826516 /nfs/dbraw/zinc/82/65/16/569826516.db2.gz TZHHLRFIUXCRCG-LBPRGKRZSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399388 569826604 /nfs/dbraw/zinc/82/66/04/569826604.db2.gz DMDBSSDLNWAUGO-GFCCVEGCSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399475 569826688 /nfs/dbraw/zinc/82/66/88/569826688.db2.gz PZEVXXVXZXASOH-GFCCVEGCSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399473 569826727 /nfs/dbraw/zinc/82/67/27/569826727.db2.gz XVRWAHKURXVGKZ-CQSZACIVSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000040399565 569826776 /nfs/dbraw/zinc/82/67/76/569826776.db2.gz DEPBDFYJINZHMS-GFCCVEGCSA-N 0 0 492.750 4.847 40 0 JJABRN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400211 569827367 /nfs/dbraw/zinc/82/73/67/569827367.db2.gz YCIGQLWYWBCEFR-QGZVFWFLSA-N 0 0 493.445 4.750 40 0 JJABRN Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)cc1 ZINC000040400423 569827622 /nfs/dbraw/zinc/82/76/22/569827622.db2.gz VRUKMFIDTZYXEV-NRFANRHFSA-N 0 0 481.512 4.679 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1Cl ZINC000040400312 569827653 /nfs/dbraw/zinc/82/76/53/569827653.db2.gz DZUSNYLHRGYTHR-AWEZNQCLSA-N 0 0 491.857 4.559 40 0 JJABRN C[C@]1(C(=O)c2c(F)c(F)c(F)c(F)c2F)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)NC1CCCCC1 ZINC000103026008 569831986 /nfs/dbraw/zinc/83/19/86/569831986.db2.gz PMWHDROTHZCXNT-NIJXNBFTSA-N 0 0 493.428 4.723 40 0 JJABRN CCCCN1C(=O)[C@@H]2[C@H]3C=C(C)c4cc(C)ccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]2C1=O ZINC000103459852 569835242 /nfs/dbraw/zinc/83/52/42/569835242.db2.gz PHLVDRCAIMVQQZ-LWSSLDFYSA-N 0 0 477.992 4.663 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000041077167 569835337 /nfs/dbraw/zinc/83/53/37/569835337.db2.gz KRICHBWHDKMHLJ-UHFFFAOYSA-N 0 0 466.929 4.657 40 0 JJABRN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000103715674 569837311 /nfs/dbraw/zinc/83/73/11/569837311.db2.gz SXMPDQAPHIZVBE-CYBMUJFWSA-N 0 0 466.173 4.820 40 0 JJABRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Br)CC2=O)c1C ZINC000103718293 569837430 /nfs/dbraw/zinc/83/74/30/569837430.db2.gz XPRAGFOMCMZIDD-ZDUSSCGKSA-N 0 0 466.173 4.820 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1ccc(OC)cc1 ZINC000103828332 569838044 /nfs/dbraw/zinc/83/80/44/569838044.db2.gz PKDKBZRDULXFOL-HSZRJFAPSA-N 0 0 467.591 4.521 40 0 JJABRN CCCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C ZINC000043191402 569838158 /nfs/dbraw/zinc/83/81/58/569838158.db2.gz FBRAWBYQGRLCEK-VAIAXZGLSA-N 0 0 478.988 4.701 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@H]1c1ccc(Cl)cc1 ZINC000103828445 569838199 /nfs/dbraw/zinc/83/81/99/569838199.db2.gz UVOOKISQQWNTHQ-NRFANRHFSA-N 0 0 473.982 4.558 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=N[C@@H]1c1cccc(OC)c1 ZINC000103828583 569838239 /nfs/dbraw/zinc/83/82/39/569838239.db2.gz ZYOMHLRYTKFCIM-OAQYLSRUSA-N 0 0 473.982 4.558 40 0 JJABRN Cc1ccc(CSCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044791777 569838906 /nfs/dbraw/zinc/83/89/06/569838906.db2.gz NUYFRZCRJFQWKS-UHFFFAOYSA-N 0 0 468.644 4.548 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044792449 569838997 /nfs/dbraw/zinc/83/89/97/569838997.db2.gz BTOAGYWJZRTYMN-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000044792726 569839036 /nfs/dbraw/zinc/83/90/36/569839036.db2.gz YMDXPRPDKJQITL-UHFFFAOYSA-N 0 0 468.644 4.716 40 0 JJABRN COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044802624 569839073 /nfs/dbraw/zinc/83/90/73/569839073.db2.gz WBEMBDIXMAAZFJ-UHFFFAOYSA-N 0 0 492.641 4.680 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000044802910 569839388 /nfs/dbraw/zinc/83/93/88/569839388.db2.gz OGQYUVCBDUAFCR-UHFFFAOYSA-N 0 0 498.670 4.806 40 0 JJABRN COCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000104231395 569843562 /nfs/dbraw/zinc/84/35/62/569843562.db2.gz AZOBGODQUHPIJS-SANMLTNESA-N 0 0 463.578 4.724 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000047157193 569845451 /nfs/dbraw/zinc/84/54/51/569845451.db2.gz MQJZUIZVFXYSNX-UHFFFAOYSA-N 0 0 476.904 4.794 40 0 JJABRN Cc1ccccc1-c1csc2c1[nH]c(N1CCC[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C1)nc2=O ZINC000049421424 569847455 /nfs/dbraw/zinc/84/74/55/569847455.db2.gz YOTUHFMMCNRKFC-WAOWUJCRSA-N 0 0 464.635 4.871 40 0 JJABRN CC(=O)NC[C@@H](C)CCc1nnc2c(c1C)[C@@]1(C)CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000105365001 569852917 /nfs/dbraw/zinc/85/29/17/569852917.db2.gz INSJZTZMBXGLBZ-STPLCBLJSA-N 0 0 465.682 4.827 40 0 JJABRN C[C@@H](CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000105651603 569853280 /nfs/dbraw/zinc/85/32/80/569853280.db2.gz FGGPOQKKWIWEJS-SFHVURJKSA-N 0 0 487.419 4.564 40 0 JJABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000106009370 569853634 /nfs/dbraw/zinc/85/36/34/569853634.db2.gz OHNOHZYIEIIUNQ-ZQIUZPCESA-N 0 0 467.658 4.955 40 0 JJABRN COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1I ZINC000106684875 569854619 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569860995 /nfs/dbraw/zinc/86/09/95/569860995.db2.gz NSUGOEYTRRCZGC-QGMBQPNBSA-N 0 0 484.332 4.963 40 0 JJABRN C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000111886324 569861072 /nfs/dbraw/zinc/86/10/72/569861072.db2.gz OVVRTCAUQSQALN-TZIWHRDSSA-N 0 0 458.514 4.570 40 0 JJABRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O ZINC000111886329 569861117 /nfs/dbraw/zinc/86/11/17/569861117.db2.gz OVVRTCAUQSQALN-CTNGQTDRSA-N 0 0 458.514 4.570 40 0 JJABRN COc1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000113934181 569862317 /nfs/dbraw/zinc/86/23/17/569862317.db2.gz BOFYEHJNJLQJQI-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000113963339 569862649 /nfs/dbraw/zinc/86/26/49/569862649.db2.gz WMIBOQCNAXQDPU-UHFFFAOYSA-N 0 0 456.995 4.853 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000113966106 569862709 /nfs/dbraw/zinc/86/27/09/569862709.db2.gz 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OGISKUHWXPJTKI-OAQYLSRUSA-N 0 0 472.541 4.885 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000139015879 569866802 /nfs/dbraw/zinc/86/68/02/569866802.db2.gz AZWUHUDPXRTWJJ-UHFFFAOYSA-N 0 0 495.359 4.851 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000139034973 569866871 /nfs/dbraw/zinc/86/68/71/569866871.db2.gz UGDCXXRYQSAKKH-UHFFFAOYSA-N 0 0 488.165 4.965 40 0 JJABRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(Cl)cc4)CC3=O)cc2)cc1 ZINC000139136795 569867258 /nfs/dbraw/zinc/86/72/58/569867258.db2.gz LMNZYUNIHKCFEL-SFHVURJKSA-N 0 0 478.932 4.976 40 0 JJABRN COc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000140807999 569867439 /nfs/dbraw/zinc/86/74/39/569867439.db2.gz SXIWUWRTOSXGQJ-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN COc1ccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000145977914 569867805 /nfs/dbraw/zinc/86/78/05/569867805.db2.gz YXUXHSSKOCCBNI-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN 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CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000216327556 569878330 /nfs/dbraw/zinc/87/83/30/569878330.db2.gz HUTRGPOOSRRVNW-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000216348628 569878449 /nfs/dbraw/zinc/87/84/49/569878449.db2.gz MNPFPKHEAZVCMN-LJQANCHMSA-N 0 0 476.573 4.645 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000216363287 569878501 /nfs/dbraw/zinc/87/85/01/569878501.db2.gz CDOQRZGECGKZBZ-LJQANCHMSA-N 0 0 468.575 4.521 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000216420505 569878760 /nfs/dbraw/zinc/87/87/60/569878760.db2.gz QIIRPYQMGLJBGU-UHFFFAOYSA-N 0 0 450.336 4.792 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccccc1 ZINC000216441053 569878896 /nfs/dbraw/zinc/87/88/96/569878896.db2.gz QKWIGRUCUFRPAM-HHHXNRCGSA-N 0 0 458.583 4.820 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccccc1 ZINC000216441014 569878941 /nfs/dbraw/zinc/87/89/41/569878941.db2.gz QKWIGRUCUFRPAM-MHZLTWQESA-N 0 0 458.583 4.820 40 0 JJABRN COC(=O)C[C@]1(C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H](c2ccc(C)cc2)N1c1ccccc1 ZINC000216598529 569879164 /nfs/dbraw/zinc/87/91/64/569879164.db2.gz YMUYFBDDCPPKDZ-YIPGRGJBSA-N 0 0 468.553 4.684 40 0 JJABRN Cc1c(CO)c2ccccc2n1C(=O)COc1c(C)cc(Br)cc1Br ZINC000216853136 569879724 /nfs/dbraw/zinc/87/97/24/569879724.db2.gz JUKLLZDZIXDGEV-UHFFFAOYSA-N 0 0 467.157 4.995 40 0 JJABRN COC(=O)c1cn(C(=O)COc2c(C)cc(Br)cc2Br)c2ccccc12 ZINC000216852349 569879759 /nfs/dbraw/zinc/87/97/59/569879759.db2.gz BGOMFNWJGPBWPU-UHFFFAOYSA-N 0 0 481.140 4.981 40 0 JJABRN O=C(N1CCC[C@@H](Cc2cccn3ccnc23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000221972897 569883822 /nfs/dbraw/zinc/88/38/22/569883822.db2.gz CGFAFFYTRGMMNY-HXUWFJFHSA-N 0 0 451.998 4.907 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000222475951 569884563 /nfs/dbraw/zinc/88/45/63/569884563.db2.gz OZGHITVNZLDXKG-VWLOTQADSA-N 0 0 464.993 4.722 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222480171 569884640 /nfs/dbraw/zinc/88/46/40/569884640.db2.gz HKTCSUYECWVPRE-NBGIEHNGSA-N 0 0 454.611 4.920 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C ZINC000222490092 569884800 /nfs/dbraw/zinc/88/48/00/569884800.db2.gz LAFCRWAEHNYBEO-DEOSSOPVSA-N 0 0 464.993 4.722 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222490912 569884803 /nfs/dbraw/zinc/88/48/03/569884803.db2.gz PGRJYCPFFAQSLG-QHCPKHFHSA-N 0 0 455.385 4.922 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000222493800 569884844 /nfs/dbraw/zinc/88/48/44/569884844.db2.gz FZPHGTRKBUBMDT-HYBUGGRVSA-N 0 0 454.611 4.920 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc(C)cc1 ZINC000222494228 569884862 /nfs/dbraw/zinc/88/48/62/569884862.db2.gz KYVIVBPNHMIATO-RUZDIDTESA-N 0 0 464.606 4.753 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222501658 569884939 /nfs/dbraw/zinc/88/49/39/569884939.db2.gz FRNDVCMJCWPEGU-RDPSFJRHSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222526741 569885143 /nfs/dbraw/zinc/88/51/43/569885143.db2.gz LGSUOHKLMRYLLT-YADARESESA-N 0 0 487.600 4.531 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222528444 569885192 /nfs/dbraw/zinc/88/51/92/569885192.db2.gz WQIFXAUBYWSMQF-DEOSSOPVSA-N 0 0 468.956 4.552 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)s2)cc1 ZINC000222535827 569885260 /nfs/dbraw/zinc/88/52/60/569885260.db2.gz NPTQEOFJSUFBKT-GFCCVEGCSA-N 0 0 485.418 4.614 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1cccc(C)c1 ZINC000222537479 569885270 /nfs/dbraw/zinc/88/52/70/569885270.db2.gz QRUKAEMNNSIPHM-RUZDIDTESA-N 0 0 464.606 4.753 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccccc1F ZINC000222537066 569885273 /nfs/dbraw/zinc/88/52/73/569885273.db2.gz PTVLORDSQFUDHG-DEOSSOPVSA-N 0 0 468.569 4.584 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222540454 569885326 /nfs/dbraw/zinc/88/53/26/569885326.db2.gz ZJMZGJKVSTXZCL-JPYJTQIMSA-N 0 0 461.002 4.758 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000222540071 569885367 /nfs/dbraw/zinc/88/53/67/569885367.db2.gz ZGPUPPUPECGULY-HSZRJFAPSA-N 0 0 456.920 4.547 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222541427 569885413 /nfs/dbraw/zinc/88/54/13/569885413.db2.gz SEKHKQNPQWSTES-CJFMBICVSA-N 0 0 454.611 4.920 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222542984 569885455 /nfs/dbraw/zinc/88/54/55/569885455.db2.gz GEJSSPZWMHQOGL-VWLOTQADSA-N 0 0 464.606 4.753 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2ccccc2Cl)cc1 ZINC000222548001 569885563 /nfs/dbraw/zinc/88/55/63/569885563.db2.gz XLGOSSVRUSZDFE-UHFFFAOYSA-N 0 0 471.022 4.981 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222550675 569885589 /nfs/dbraw/zinc/88/55/89/569885589.db2.gz BHNRMZJHYDXEPX-NDEPHWFRSA-N 0 0 488.628 4.795 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCc2cc(Br)ccc21 ZINC000222551746 569885648 /nfs/dbraw/zinc/88/56/48/569885648.db2.gz BZBXVTUJZDKXQM-FQEVSTJZSA-N 0 0 499.430 4.592 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2C)cc1 ZINC000222563801 569885880 /nfs/dbraw/zinc/88/58/80/569885880.db2.gz FZAQNDNQTFYVSJ-UHFFFAOYSA-N 0 0 476.649 4.956 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000222573670 569886046 /nfs/dbraw/zinc/88/60/46/569886046.db2.gz OQXNLRAFNRFGEY-UHFFFAOYSA-N 0 0 476.554 4.580 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000222573771 569886084 /nfs/dbraw/zinc/88/60/84/569886084.db2.gz BIJREDLWYHMIJG-UHFFFAOYSA-N 0 0 476.554 4.580 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222577360 569886155 /nfs/dbraw/zinc/88/61/55/569886155.db2.gz OOTYWOWCSRJLST-UHFFFAOYSA-N 0 0 476.554 4.580 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000222585133 569886348 /nfs/dbraw/zinc/88/63/48/569886348.db2.gz CBWGYECLQQIJHX-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222589456 569886418 /nfs/dbraw/zinc/88/64/18/569886418.db2.gz TVCXQZQIKZVYBC-VWLOTQADSA-N 0 0 476.592 4.888 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000222587996 569886464 /nfs/dbraw/zinc/88/64/64/569886464.db2.gz OONOCTFZTJRPJB-XMMPIXPASA-N 0 0 468.569 4.584 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c2ccccc12 ZINC000222594216 569886553 /nfs/dbraw/zinc/88/65/53/569886553.db2.gz RTSZGPSZOJJNTE-UHFFFAOYSA-N 0 0 476.554 4.842 40 0 JJABRN COC(=O)c1cn(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c2ccccc12 ZINC000222601831 569886721 /nfs/dbraw/zinc/88/67/21/569886721.db2.gz GDACKOGCDFLJGN-UHFFFAOYSA-N 0 0 462.527 4.534 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c2ccccc12 ZINC000222602383 569886734 /nfs/dbraw/zinc/88/67/34/569886734.db2.gz ARGZFYGIYSIVJS-UHFFFAOYSA-N 0 0 462.527 4.534 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000222601940 569886737 /nfs/dbraw/zinc/88/67/37/569886737.db2.gz OLIGZZCBJGWRNY-GCJKJVERSA-N 0 0 475.427 4.593 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000222607757 569886872 /nfs/dbraw/zinc/88/68/72/569886872.db2.gz JSZOHJUJYRQQSS-HXUWFJFHSA-N 0 0 487.021 4.609 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c2ccccc12 ZINC000222618731 569887101 /nfs/dbraw/zinc/88/71/01/569887101.db2.gz FRSWUMNHDUADQQ-UHFFFAOYSA-N 0 0 468.918 4.571 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222638567 569887505 /nfs/dbraw/zinc/88/75/05/569887505.db2.gz HJYXEFIEQPFZLP-UHFFFAOYSA-N 0 0 490.581 4.699 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222641228 569887554 /nfs/dbraw/zinc/88/75/54/569887554.db2.gz WDCWPMXHTHWDNJ-NRFANRHFSA-N 0 0 493.417 4.916 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000222641543 569887559 /nfs/dbraw/zinc/88/75/59/569887559.db2.gz OUXNIGTUIGOUQU-QHCPKHFHSA-N 0 0 483.381 4.517 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1 ZINC000222642834 569887600 /nfs/dbraw/zinc/88/76/00/569887600.db2.gz RVZAZXDVAFEATG-DEOSSOPVSA-N 0 0 479.418 4.686 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222641947 569887619 /nfs/dbraw/zinc/88/76/19/569887619.db2.gz FAHSAJFQOGRWLL-LJQANCHMSA-N 0 0 499.808 4.952 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1NC(=O)C(C)C ZINC000222658790 569887859 /nfs/dbraw/zinc/88/78/59/569887859.db2.gz WOFGZVVQKLNOPX-UHFFFAOYSA-N 0 0 473.085 4.868 40 0 JJABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(I)c3)N21 ZINC000222667182 569888059 /nfs/dbraw/zinc/88/80/59/569888059.db2.gz IQVKBWQNOPKZPM-MORSLUCNSA-N 0 0 465.360 4.674 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Br)c(C)c1 ZINC000222668535 569888103 /nfs/dbraw/zinc/88/81/03/569888103.db2.gz WJPWRQRKCFFBPI-CYBMUJFWSA-N 0 0 488.209 4.606 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)S(C)(=O)=O)cc1C ZINC000222675436 569888291 /nfs/dbraw/zinc/88/82/91/569888291.db2.gz FKEUQBJFOCRMHX-FQEVSTJZSA-N 0 0 494.613 4.532 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1C ZINC000222680109 569888299 /nfs/dbraw/zinc/88/82/99/569888299.db2.gz YYBXNPRTPVWSHW-UHFFFAOYSA-N 0 0 467.572 4.731 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc2C)cc1C ZINC000222681708 569888371 /nfs/dbraw/zinc/88/83/71/569888371.db2.gz CTUBCPFZNILPDG-IBGZPJMESA-N 0 0 480.586 4.675 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222682976 569888437 /nfs/dbraw/zinc/88/84/37/569888437.db2.gz HYNPIVHZMPYAIO-XMMPIXPASA-N 0 0 479.418 4.686 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222693255 569888754 /nfs/dbraw/zinc/88/87/54/569888754.db2.gz MGXFVOUOJTVPCZ-VWLOTQADSA-N 0 0 493.445 4.995 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F ZINC000222693395 569888761 /nfs/dbraw/zinc/88/87/61/569888761.db2.gz JZNSGIVNXRXKPT-QHCPKHFHSA-N 0 0 483.381 4.517 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222700433 569888926 /nfs/dbraw/zinc/88/89/26/569888926.db2.gz ZBLOBGXSWWSXMQ-FQEVSTJZSA-N 0 0 479.404 4.987 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222702096 569889015 /nfs/dbraw/zinc/88/90/15/569889015.db2.gz MLDQRJFHEVPYFI-HXUWFJFHSA-N 0 0 455.357 4.843 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(Cl)c2)cc1 ZINC000222708927 569889201 /nfs/dbraw/zinc/88/92/01/569889201.db2.gz JJSWEFUZVXCELQ-MRXNPFEDSA-N 0 0 486.977 4.711 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000222716286 569889391 /nfs/dbraw/zinc/88/93/91/569889391.db2.gz TXERHPAUZKUFPF-SFHVURJKSA-N 0 0 454.567 4.845 40 0 JJABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 ZINC000222715465 569889415 /nfs/dbraw/zinc/88/94/15/569889415.db2.gz BYMCMPDISOKKSP-SINAZASISA-N 0 0 460.530 4.786 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1OC ZINC000222728748 569889647 /nfs/dbraw/zinc/88/96/47/569889647.db2.gz YMMOMSVFYFLQGC-OAQYLSRUSA-N 0 0 464.606 4.670 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1OC ZINC000222728689 569889673 /nfs/dbraw/zinc/88/96/73/569889673.db2.gz YMMOMSVFYFLQGC-NRFANRHFSA-N 0 0 464.606 4.670 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000222728249 569889690 /nfs/dbraw/zinc/88/96/90/569889690.db2.gz VLRCPBKYWJLLPG-MRXNPFEDSA-N 0 0 490.503 4.863 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000222731134 569889707 /nfs/dbraw/zinc/88/97/07/569889707.db2.gz RYVVIZHVNKMAJI-LLVKDONJSA-N 0 0 464.176 4.842 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000222742730 569890077 /nfs/dbraw/zinc/89/00/77/569890077.db2.gz QRUNWQCBCQBVLO-HSZRJFAPSA-N 0 0 455.385 4.922 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)s2)cc1 ZINC000222750849 569890270 /nfs/dbraw/zinc/89/02/70/569890270.db2.gz ZQFSFPRCPWHPCT-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2ccc(C)cc2)cc1 ZINC000222763514 569890528 /nfs/dbraw/zinc/89/05/28/569890528.db2.gz UAUIYOYHOACJOP-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222765456 569890594 /nfs/dbraw/zinc/89/05/94/569890594.db2.gz NBYPCLWOSMZGJC-CQSZACIVSA-N 0 0 457.785 4.806 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222775598 569890804 /nfs/dbraw/zinc/89/08/04/569890804.db2.gz LFHVHEDFETVJPS-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(SCC(C)C)s3)c2C)cc1 ZINC000222792012 569891234 /nfs/dbraw/zinc/89/12/34/569891234.db2.gz KIHJGQZRGKWQHX-UHFFFAOYSA-N 0 0 476.649 4.956 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222797023 569891327 /nfs/dbraw/zinc/89/13/27/569891327.db2.gz QXKJHXUBVOVKMH-FQEVSTJZSA-N 0 0 479.404 4.987 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSC3CCCC3)c(Cl)c2)cc1 ZINC000222799907 569891384 /nfs/dbraw/zinc/89/13/84/569891384.db2.gz KKKYPZZVAUFULY-UHFFFAOYSA-N 0 0 453.029 4.855 40 0 JJABRN C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803938 569891501 /nfs/dbraw/zinc/89/15/01/569891501.db2.gz XPIIZEUGHVINSV-KRWDZBQOSA-N 0 0 472.372 4.501 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000222809187 569891641 /nfs/dbraw/zinc/89/16/41/569891641.db2.gz AEEYSARNMRJSGU-UHFFFAOYSA-N 0 0 482.602 4.853 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222826740 569892058 /nfs/dbraw/zinc/89/20/58/569892058.db2.gz ZEFAWYHSIARRLT-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000222833530 569892182 /nfs/dbraw/zinc/89/21/82/569892182.db2.gz BSATXJLTLDAOHB-UHFFFAOYSA-N 0 0 464.631 4.941 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222838832 569892353 /nfs/dbraw/zinc/89/23/53/569892353.db2.gz DTYYQMFJNYLLGZ-DEOSSOPVSA-N 0 0 483.033 4.827 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSc1ccccc1 ZINC000222840153 569892373 /nfs/dbraw/zinc/89/23/73/569892373.db2.gz HILPSKKVKMFUFR-RUZDIDTESA-N 0 0 462.615 4.564 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(C)cc1 ZINC000222840685 569892403 /nfs/dbraw/zinc/89/24/03/569892403.db2.gz HCCBYHGKJJVHGO-SANMLTNESA-N 0 0 476.642 4.872 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccccc2)c1 ZINC000222842384 569892449 /nfs/dbraw/zinc/89/24/49/569892449.db2.gz GJDHAZNMYKEFJW-UHFFFAOYSA-N 0 0 478.599 4.656 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1cc(Cl)c(Cl)cc1Cl ZINC000222846716 569892534 /nfs/dbraw/zinc/89/25/34/569892534.db2.gz KCGXDKHMEKZGIU-UHFFFAOYSA-N 0 0 471.793 4.882 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222846837 569892541 /nfs/dbraw/zinc/89/25/41/569892541.db2.gz QTSNCXQOPOHUAQ-HSZRJFAPSA-N 0 0 454.611 4.704 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222848143 569892614 /nfs/dbraw/zinc/89/26/14/569892614.db2.gz CYRAPKJYZHOYBT-CQSZACIVSA-N 0 0 497.495 4.776 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccc2ccccc21 ZINC000222851558 569892725 /nfs/dbraw/zinc/89/27/25/569892725.db2.gz XJIZHOCLYCMAFA-UHFFFAOYSA-N 0 0 450.604 4.700 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2cccc3ccccc32)cc1 ZINC000222854267 569892840 /nfs/dbraw/zinc/89/28/40/569892840.db2.gz AFLMDNRVBTUGPW-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000222858750 569892859 /nfs/dbraw/zinc/89/28/59/569892859.db2.gz WCPFPARUXQWSBF-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000222856920 569892863 /nfs/dbraw/zinc/89/28/63/569892863.db2.gz MNGDZMXHKFCFRS-GYZZIOIESA-N 0 0 462.571 4.946 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000222858824 569892944 /nfs/dbraw/zinc/89/29/44/569892944.db2.gz WCPFPARUXQWSBF-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN Cc1ccc2c(c1)[C@@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000222865359 569893012 /nfs/dbraw/zinc/89/30/12/569893012.db2.gz BUSQHBSWNPOUSG-QFIPXVFZSA-N 0 0 458.624 4.577 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000222883994 569893545 /nfs/dbraw/zinc/89/35/45/569893545.db2.gz MGKHKZSLIMPNJB-GOSISDBHSA-N 0 0 498.982 4.773 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222885293 569893585 /nfs/dbraw/zinc/89/35/85/569893585.db2.gz VARPLUVNGAIYFU-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000222890237 569893675 /nfs/dbraw/zinc/89/36/75/569893675.db2.gz IWRZFQWNYFJHGH-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000222888617 569893683 /nfs/dbraw/zinc/89/36/83/569893683.db2.gz KLFMGJSUDFVJSB-QGZVFWFLSA-N 0 0 491.451 4.534 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1)c1ccccc1F ZINC000222888847 569893686 /nfs/dbraw/zinc/89/36/86/569893686.db2.gz LXPIWZXZQSJRSC-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222904994 569893984 /nfs/dbraw/zinc/89/39/84/569893984.db2.gz PCSFLKOMLALCMD-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222912155 569894135 /nfs/dbraw/zinc/89/41/35/569894135.db2.gz VUBJXNPVYFLENF-LJQANCHMSA-N 0 0 466.578 4.777 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(CC)cc1Br ZINC000222922320 569894461 /nfs/dbraw/zinc/89/44/61/569894461.db2.gz VAAYIMBFCZPJMW-HNNXBMFYSA-N 0 0 481.818 4.597 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222930281 569894724 /nfs/dbraw/zinc/89/47/24/569894724.db2.gz UKYGELKZQXBXQN-NRFANRHFSA-N 0 0 492.641 4.788 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222932072 569894735 /nfs/dbraw/zinc/89/47/35/569894735.db2.gz QCELJVFGVLKUJQ-HNNXBMFYSA-N 0 0 497.419 4.721 40 0 JJABRN O=C(NCc1ccccc1)[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000222935564 569894841 /nfs/dbraw/zinc/89/48/41/569894841.db2.gz JVDMSSWSYDLGQK-MHZLTWQESA-N 0 0 462.549 4.929 40 0 JJABRN O=C(NCc1ccccc1)[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000222935631 569894848 /nfs/dbraw/zinc/89/48/48/569894848.db2.gz JVDMSSWSYDLGQK-HHHXNRCGSA-N 0 0 462.549 4.929 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222938551 569894989 /nfs/dbraw/zinc/89/49/89/569894989.db2.gz FTAUFZPOWFQWOA-VWLOTQADSA-N 0 0 485.628 4.955 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000222942223 569895055 /nfs/dbraw/zinc/89/50/55/569895055.db2.gz LRHGWNXEQSGCEL-VWLOTQADSA-N 0 0 468.644 4.552 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222944836 569895114 /nfs/dbraw/zinc/89/51/14/569895114.db2.gz MQNOYXKJKYIBQS-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222945752 569895164 /nfs/dbraw/zinc/89/51/64/569895164.db2.gz HMDFYGUGLFJZRG-LJQANCHMSA-N 0 0 470.635 4.630 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCCC1 ZINC000222962802 569895574 /nfs/dbraw/zinc/89/55/74/569895574.db2.gz CUKBKWSBTPKOCP-GOSISDBHSA-N 0 0 472.676 4.953 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222965061 569895668 /nfs/dbraw/zinc/89/56/68/569895668.db2.gz WYYFVAGHLBYZAC-GOSISDBHSA-N 0 0 475.054 4.638 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc2ccccc2c1Br ZINC000222971803 569895804 /nfs/dbraw/zinc/89/58/04/569895804.db2.gz WDRCPSHVXRQFHR-INIZCTEOSA-N 0 0 487.369 4.674 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c(C)c1 ZINC000222974610 569895875 /nfs/dbraw/zinc/89/58/75/569895875.db2.gz BWYPMPVYAZKYGA-UHFFFAOYSA-N 0 0 491.034 4.817 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222985538 569896176 /nfs/dbraw/zinc/89/61/76/569896176.db2.gz GZOWRAFGUMIMNH-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222986933 569896238 /nfs/dbraw/zinc/89/62/38/569896238.db2.gz GFVYNJXGZNRQTB-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)cc1OC ZINC000222988698 569896328 /nfs/dbraw/zinc/89/63/28/569896328.db2.gz VYPWGQZQMDBCLE-VKZJTJHYSA-N 0 0 450.560 4.722 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222993301 569896434 /nfs/dbraw/zinc/89/64/34/569896434.db2.gz JOWPCHDSEVTOOD-WZONZLPQSA-N 0 0 475.054 4.638 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223023379 569897065 /nfs/dbraw/zinc/89/70/65/569897065.db2.gz WZDVNCKCSUCTIC-MHZLTWQESA-N 0 0 492.591 4.625 40 0 JJABRN COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025582 569897137 /nfs/dbraw/zinc/89/71/37/569897137.db2.gz FREPOJRYEDBWJH-NDEPHWFRSA-N 0 0 472.629 4.958 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccccc1Cl ZINC000223027089 569897171 /nfs/dbraw/zinc/89/71/71/569897171.db2.gz ZXKGMRWMVFWACF-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN COc1cccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223049181 569897764 /nfs/dbraw/zinc/89/77/64/569897764.db2.gz FRYHFCAGBHMYAE-GOSISDBHSA-N 0 0 461.002 4.676 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223061242 569898169 /nfs/dbraw/zinc/89/81/69/569898169.db2.gz UBQMVDMZVLKYQD-RTBURBONSA-N 0 0 461.002 4.840 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223062783 569898194 /nfs/dbraw/zinc/89/81/94/569898194.db2.gz QNIDLALPDCJFSL-HZPDHXFCSA-N 0 0 481.818 4.813 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)cc1 ZINC000223063922 569898240 /nfs/dbraw/zinc/89/82/40/569898240.db2.gz HPZMSZVFRDNSCZ-UHFFFAOYSA-N 0 0 490.676 4.533 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223063829 569898263 /nfs/dbraw/zinc/89/82/63/569898263.db2.gz UXGQIODALGKRAL-MHZLTWQESA-N 0 0 452.554 4.779 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223069840 569898493 /nfs/dbraw/zinc/89/84/93/569898493.db2.gz BEZJXLYWNMYHPE-HSZRJFAPSA-N 0 0 461.027 4.884 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223069352 569898495 /nfs/dbraw/zinc/89/84/95/569898495.db2.gz KHZARLIUUDMVMR-INIZCTEOSA-N 0 0 481.818 4.652 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCSCc1ccccc1 ZINC000223070414 569898514 /nfs/dbraw/zinc/89/85/14/569898514.db2.gz NUAXTRWXRVHQKC-QGZVFWFLSA-N 0 0 463.441 4.626 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000223085328 569898969 /nfs/dbraw/zinc/89/89/69/569898969.db2.gz FBJWRZPZLDOTGM-LSDHHAIUSA-N 0 0 455.357 4.843 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000223087417 569899041 /nfs/dbraw/zinc/89/90/41/569899041.db2.gz AYPNEGNKLOEPQO-UHFFFAOYSA-N 0 0 450.604 4.708 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1 ZINC000223091455 569899212 /nfs/dbraw/zinc/89/92/12/569899212.db2.gz OOXRBRTZAIJYEN-HSZRJFAPSA-N 0 0 484.593 4.914 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093151 569899229 /nfs/dbraw/zinc/89/92/29/569899229.db2.gz OKZAMOWNRJCKJS-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093514 569899258 /nfs/dbraw/zinc/89/92/58/569899258.db2.gz CUTGWUBOBKBEDX-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223119297 569899956 /nfs/dbraw/zinc/89/99/56/569899956.db2.gz SLOJKNHNJCPRNJ-HHHXNRCGSA-N 0 0 458.602 4.965 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223119456 569899959 /nfs/dbraw/zinc/89/99/59/569899959.db2.gz NMYCMOVYPLBDMV-AREMUKBSSA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223120551 569900079 /nfs/dbraw/zinc/90/00/79/569900079.db2.gz VERYVIMVTIOWSQ-QHCPKHFHSA-N 0 0 464.578 4.657 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223122864 569900161 /nfs/dbraw/zinc/90/01/61/569900161.db2.gz JPZWZHIGCXLUNE-DNQXCXABSA-N 0 0 460.603 4.964 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223136645 569900679 /nfs/dbraw/zinc/90/06/79/569900679.db2.gz DFWHTYHINHWSDW-KAYWLYCHSA-N 0 0 491.031 4.818 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223154838 569901359 /nfs/dbraw/zinc/90/13/59/569901359.db2.gz GMEUREQZGIUUDV-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(=O)(=O)c1ccccc1 ZINC000223157210 569901461 /nfs/dbraw/zinc/90/14/61/569901461.db2.gz PGUQHHALGNOWII-UHFFFAOYSA-N 0 0 490.676 4.683 40 0 JJABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223159764 569901492 /nfs/dbraw/zinc/90/14/92/569901492.db2.gz NOTZMCBOMXCVGU-DNQXCXABSA-N 0 0 483.037 4.608 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)c1 ZINC000223159154 569901506 /nfs/dbraw/zinc/90/15/06/569901506.db2.gz NLRRYRBXJUSBBC-NRFANRHFSA-N 0 0 462.615 4.865 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000223160513 569901531 /nfs/dbraw/zinc/90/15/31/569901531.db2.gz PFDSGTJEUHBZDH-FQEVSTJZSA-N 0 0 478.614 4.647 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223161092 569901532 /nfs/dbraw/zinc/90/15/32/569901532.db2.gz CNMHZOGQBWWNCB-DNQXCXABSA-N 0 0 483.037 4.608 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCOc1ccc(OC)cc1 ZINC000223163179 569901629 /nfs/dbraw/zinc/90/16/29/569901629.db2.gz NEQGLGBSTHCOJI-MUUNZHRXSA-N 0 0 488.628 4.939 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223175842 569902159 /nfs/dbraw/zinc/90/21/59/569902159.db2.gz QXKAZOBVDREHGD-HZPDHXFCSA-N 0 0 465.819 4.977 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)c1C ZINC000223175626 569902171 /nfs/dbraw/zinc/90/21/71/569902171.db2.gz PYNNTYXNWXEINW-NRFANRHFSA-N 0 0 462.615 4.865 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223177726 569902207 /nfs/dbraw/zinc/90/22/07/569902207.db2.gz FRKMNAPCLRQKEN-MOPGFXCFSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(OC)cc1 ZINC000223181881 569902429 /nfs/dbraw/zinc/90/24/29/569902429.db2.gz LJAAYRKKHUEYOE-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC)cc1OCC ZINC000223186972 569902639 /nfs/dbraw/zinc/90/26/39/569902639.db2.gz BZMBGWOYZLIEBF-OAQYLSRUSA-N 0 0 461.002 4.623 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1CCCN1CCOCC1 ZINC000223199007 569903175 /nfs/dbraw/zinc/90/31/75/569903175.db2.gz XGPDCRZOGOGDOJ-ZEQRLZLVSA-N 0 0 480.659 4.521 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1CCCN1CCOCC1 ZINC000223200040 569903183 /nfs/dbraw/zinc/90/31/83/569903183.db2.gz BQDMDBWEWUGITA-RPWUZVMVSA-N 0 0 483.037 4.690 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223199212 569903187 /nfs/dbraw/zinc/90/31/87/569903187.db2.gz MTMZLPCUOSRKJR-JKSUJKDBSA-N 0 0 465.819 4.977 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc2c(c1)CCC2 ZINC000223202845 569903305 /nfs/dbraw/zinc/90/33/05/569903305.db2.gz QCUODEXQGWFCPI-IIBYNOLFSA-N 0 0 495.472 4.901 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223202552 569903316 /nfs/dbraw/zinc/90/33/16/569903316.db2.gz XMMOKQMJRHYLCR-MRXNPFEDSA-N 0 0 495.472 4.901 40 0 JJABRN O=C(NCc1ccco1)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223206943 569903464 /nfs/dbraw/zinc/90/34/64/569903464.db2.gz JNFZRGNRNHIGEW-MHZLTWQESA-N 0 0 470.544 4.918 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(OC)cc1 ZINC000223209235 569903571 /nfs/dbraw/zinc/90/35/71/569903571.db2.gz DAELTNJPFFJXLL-DEOSSOPVSA-N 0 0 454.611 4.885 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223210650 569903626 /nfs/dbraw/zinc/90/36/26/569903626.db2.gz IUVDFHHSIHPKIC-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223218637 569903895 /nfs/dbraw/zinc/90/38/95/569903895.db2.gz OKHNFXMOXLVEHN-OAHLLOKOSA-N 0 0 462.543 4.909 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1 ZINC000223223202 569903959 /nfs/dbraw/zinc/90/39/59/569903959.db2.gz VOHFVOZYLAAIGM-LJQANCHMSA-N 0 0 483.609 4.692 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 ZINC000223222294 569903960 /nfs/dbraw/zinc/90/39/60/569903960.db2.gz KSAAJYSKOULJCM-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C ZINC000223223130 569903997 /nfs/dbraw/zinc/90/39/97/569903997.db2.gz DSTJZDYMMLLPOZ-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223227832 569904208 /nfs/dbraw/zinc/90/42/08/569904208.db2.gz SXVZFUNEFGDHNE-HXUWFJFHSA-N 0 0 487.369 4.674 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223232484 569904332 /nfs/dbraw/zinc/90/43/32/569904332.db2.gz AHQZYOXTWFDPFB-CVEARBPZSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223232423 569904370 /nfs/dbraw/zinc/90/43/70/569904370.db2.gz AHQZYOXTWFDPFB-JKSUJKDBSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1Cl ZINC000223237609 569904525 /nfs/dbraw/zinc/90/45/25/569904525.db2.gz AQGWOSHDRYBUNS-HZPDHXFCSA-N 0 0 481.818 4.813 40 0 JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223234891 569904437 /nfs/dbraw/zinc/90/44/37/569904437.db2.gz SQHXNMWYYCCWIQ-UONOGXRCSA-N 0 0 455.407 4.514 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223236685 569904454 /nfs/dbraw/zinc/90/44/54/569904454.db2.gz FNLCXFZGXVUTCK-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223238500 569904497 /nfs/dbraw/zinc/90/44/97/569904497.db2.gz SHIYFXZSJXNZCA-IBGZPJMESA-N 0 0 484.540 4.670 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223238439 569904519 /nfs/dbraw/zinc/90/45/19/569904519.db2.gz SHIYFXZSJXNZCA-LJQANCHMSA-N 0 0 484.540 4.670 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000223240977 569904615 /nfs/dbraw/zinc/90/46/15/569904615.db2.gz WGBXTPONNZMKLZ-MSOLQXFVSA-N 0 0 475.427 4.722 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223247759 569904815 /nfs/dbraw/zinc/90/48/15/569904815.db2.gz MIUGGSRMOQYKNL-QHCPKHFHSA-N 0 0 471.601 4.831 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000223255583 569905077 /nfs/dbraw/zinc/90/50/77/569905077.db2.gz BNHBXXHAPOALGX-HZPDHXFCSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000223259051 569905212 /nfs/dbraw/zinc/90/52/12/569905212.db2.gz PJCGTHSNMWIITG-WXVAWEFUSA-N 0 0 474.601 4.629 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223270374 569905571 /nfs/dbraw/zinc/90/55/71/569905571.db2.gz OVBIKLYBTFMVBL-SFHVURJKSA-N 0 0 488.209 4.688 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000223271779 569905650 /nfs/dbraw/zinc/90/56/50/569905650.db2.gz PESPSIUJNYIMCF-UHFFFAOYSA-N 0 0 460.502 4.942 40 0 JJABRN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223272652 569905695 /nfs/dbraw/zinc/90/56/95/569905695.db2.gz PVPPGZOOKCAKLC-MHZLTWQESA-N 0 0 474.601 4.616 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 ZINC000223278195 569905971 /nfs/dbraw/zinc/90/59/71/569905971.db2.gz OZXBAHTZKNJAJQ-LJAQVGFWSA-N 0 0 493.607 4.589 40 0 JJABRN CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223277973 569905972 /nfs/dbraw/zinc/90/59/72/569905972.db2.gz QXCWYEIPCBZIGU-LBPRGKRZSA-N 0 0 483.468 4.529 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1C(C)C ZINC000223287481 569906280 /nfs/dbraw/zinc/90/62/80/569906280.db2.gz MNZYOUSBCNPLQN-QGZVFWFLSA-N 0 0 467.031 4.732 40 0 JJABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000223297163 569906574 /nfs/dbraw/zinc/90/65/74/569906574.db2.gz ALGWCGLQWUBIRQ-UHFFFAOYSA-N 0 0 453.402 4.559 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223288233 569906335 /nfs/dbraw/zinc/90/63/35/569906335.db2.gz RJJIOSIJRVCQFW-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1cc(C)cc(N(CCCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)S(C)(=O)=O)c1 ZINC000223288357 569906346 /nfs/dbraw/zinc/90/63/46/569906346.db2.gz KVXUQNMVFBMLIB-UHFFFAOYSA-N 0 0 498.649 4.514 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 ZINC000223292074 569906433 /nfs/dbraw/zinc/90/64/33/569906433.db2.gz CAHFDSRPIBRARY-NDEPHWFRSA-N 0 0 488.628 4.876 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223300932 569906615 /nfs/dbraw/zinc/90/66/15/569906615.db2.gz YSNZAPCHDYJVSN-OAQYLSRUSA-N 0 0 475.427 4.858 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223309571 569906891 /nfs/dbraw/zinc/90/68/91/569906891.db2.gz RIBLOTIGOYOADH-HOFKKMOUSA-N 0 0 458.602 4.929 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1F ZINC000223310157 569906914 /nfs/dbraw/zinc/90/69/14/569906914.db2.gz SDVGTGNQALEXML-PXDATVDWSA-N 0 0 462.565 4.759 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1F ZINC000223314687 569907121 /nfs/dbraw/zinc/90/71/21/569907121.db2.gz YGBKRJGMXNTUBB-HSZRJFAPSA-N 0 0 468.956 4.634 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223316409 569907196 /nfs/dbraw/zinc/90/71/96/569907196.db2.gz QSWCYTIVZCDILJ-BVAGGSTKSA-N 0 0 488.628 4.937 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223316278 569907230 /nfs/dbraw/zinc/90/72/30/569907230.db2.gz QSWCYTIVZCDILJ-ZEQKJWHPSA-N 0 0 488.628 4.937 40 0 JJABRN O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223318240 569907304 /nfs/dbraw/zinc/90/73/04/569907304.db2.gz PXEPYNGSDHHIJX-KCWPFWIISA-N 0 0 493.003 4.784 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223320775 569907449 /nfs/dbraw/zinc/90/74/49/569907449.db2.gz DCURKKARXSBVPC-SFHVURJKSA-N 0 0 464.603 4.690 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1NC(=O)C(C)C ZINC000223326185 569907665 /nfs/dbraw/zinc/90/76/65/569907665.db2.gz VDIWIRLNCXRZRO-UHFFFAOYSA-N 0 0 495.026 4.527 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223330876 569907821 /nfs/dbraw/zinc/90/78/21/569907821.db2.gz XHWVYUFPRUATCG-HXUWFJFHSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223334601 569907896 /nfs/dbraw/zinc/90/78/96/569907896.db2.gz GPVVBNWFMVJFBT-UHFFFAOYSA-N 0 0 478.599 4.656 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C(C)C ZINC000223338282 569907965 /nfs/dbraw/zinc/90/79/65/569907965.db2.gz QSQSWJSLVKOQMT-LJQANCHMSA-N 0 0 490.641 4.685 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1C(C)C ZINC000223337895 569907971 /nfs/dbraw/zinc/90/79/71/569907971.db2.gz ODCWWZXGOPCACV-OAQYLSRUSA-N 0 0 486.678 4.855 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1C(C)C ZINC000223338080 569907984 /nfs/dbraw/zinc/90/79/84/569907984.db2.gz GHEKZOVJAYGSFP-NRFANRHFSA-N 0 0 486.678 4.855 40 0 JJABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223344172 569907994 /nfs/dbraw/zinc/90/79/94/569907994.db2.gz HZYWMXVNSUXQQA-MUUNZHRXSA-N 0 0 474.601 4.933 40 0 JJABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223344987 569908054 /nfs/dbraw/zinc/90/80/54/569908054.db2.gz IIEPEKBAJFADAE-JOCHJYFZSA-N 0 0 458.624 4.577 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1C(C)C ZINC000223354727 569908426 /nfs/dbraw/zinc/90/84/26/569908426.db2.gz URBACXGGPKOZRY-IBGZPJMESA-N 0 0 468.619 4.778 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(I)cc2)cc1C(C)C ZINC000223355590 569908446 /nfs/dbraw/zinc/90/84/46/569908446.db2.gz UUPBMODPQSDPKP-OAHLLOKOSA-N 0 0 467.347 4.988 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223359015 569908569 /nfs/dbraw/zinc/90/85/69/569908569.db2.gz VIIQXWHVKOLHDS-SFHVURJKSA-N 0 0 488.209 4.688 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223359098 569908601 /nfs/dbraw/zinc/90/86/01/569908601.db2.gz DAMWFXGNXHDHCZ-XMMPIXPASA-N 0 0 493.003 4.778 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223360812 569908666 /nfs/dbraw/zinc/90/86/66/569908666.db2.gz LWOZNIYWVBCQFG-IBGZPJMESA-N 0 0 457.785 4.887 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223363648 569908859 /nfs/dbraw/zinc/90/88/59/569908859.db2.gz ZNWQUIXHIMIJLK-VWLOTQADSA-N 0 0 480.992 4.504 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223367044 569909038 /nfs/dbraw/zinc/90/90/38/569909038.db2.gz XXRVENFVALXYAB-NDEPHWFRSA-N 0 0 465.553 4.547 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223366984 569909054 /nfs/dbraw/zinc/90/90/54/569909054.db2.gz XXRVENFVALXYAB-MUUNZHRXSA-N 0 0 465.553 4.547 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C(C)C ZINC000223367268 569909057 /nfs/dbraw/zinc/90/90/57/569909057.db2.gz AMQKJSBMVQZMKF-HNNXBMFYSA-N 0 0 453.004 4.667 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1I ZINC000223371992 569909172 /nfs/dbraw/zinc/90/91/72/569909172.db2.gz LOZPELYQRBUMSN-WOJBJXKFSA-N 0 0 488.398 4.804 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223373854 569909264 /nfs/dbraw/zinc/90/92/64/569909264.db2.gz MMPKRQJBXYBZOR-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223377171 569909371 /nfs/dbraw/zinc/90/93/71/569909371.db2.gz YAITWRJTPJCXPK-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223399770 569909850 /nfs/dbraw/zinc/90/98/50/569909850.db2.gz ZNLAINSNTPESPN-NRFANRHFSA-N 0 0 471.450 4.979 40 0 JJABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223406296 569910120 /nfs/dbraw/zinc/91/01/20/569910120.db2.gz ITIVQJWGWVZXPR-QGZVFWFLSA-N 0 0 464.893 4.551 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1 ZINC000223405374 569910134 /nfs/dbraw/zinc/91/01/34/569910134.db2.gz XPPHRRQINROXIR-RUZDIDTESA-N 0 0 450.966 4.797 40 0 JJABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223406351 569910163 /nfs/dbraw/zinc/91/01/63/569910163.db2.gz ITIVQJWGWVZXPR-KRWDZBQOSA-N 0 0 464.893 4.551 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000223409329 569910315 /nfs/dbraw/zinc/91/03/15/569910315.db2.gz LQABTOGWNNOLKJ-VWLOTQADSA-N 0 0 464.606 4.835 40 0 JJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223415349 569910515 /nfs/dbraw/zinc/91/05/15/569910515.db2.gz QFUQCFNCLWBXSJ-DQEYMECFSA-N 0 0 455.587 4.508 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223420718 569910727 /nfs/dbraw/zinc/91/07/27/569910727.db2.gz YRYPAINOLLCRQK-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223425226 569910918 /nfs/dbraw/zinc/91/09/18/569910918.db2.gz UVQOHZFQLVWOHD-GOSISDBHSA-N 0 0 463.043 4.915 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223427817 569911028 /nfs/dbraw/zinc/91/10/28/569911028.db2.gz AIAOJOZGDUEYEX-KCWPFWIISA-N 0 0 458.602 4.929 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223433042 569911213 /nfs/dbraw/zinc/91/12/13/569911213.db2.gz INMPCFYISAECQE-RPBOFIJWSA-N 0 0 456.571 4.759 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 ZINC000223438726 569911448 /nfs/dbraw/zinc/91/14/48/569911448.db2.gz YKVVSZCSIVFOCD-HHHXNRCGSA-N 0 0 492.591 4.770 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1 ZINC000223438031 569911461 /nfs/dbraw/zinc/91/14/61/569911461.db2.gz VCURNYMZQPMLFG-AREMUKBSSA-N 0 0 462.565 4.598 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1Cl ZINC000223440541 569911484 /nfs/dbraw/zinc/91/14/84/569911484.db2.gz KTBHJZVOLGWIEA-QHCPKHFHSA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223445420 569911572 /nfs/dbraw/zinc/91/15/72/569911572.db2.gz AYOQRWJWCYPTPK-RUZDIDTESA-N 0 0 492.591 4.552 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223445229 569911584 /nfs/dbraw/zinc/91/15/84/569911584.db2.gz IYOLDXNBCDVYQL-CLJLJLNGSA-N 0 0 498.608 4.840 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000223445716 569911597 /nfs/dbraw/zinc/91/15/97/569911597.db2.gz KSLHKGZCIUSLLH-CLJLJLNGSA-N 0 0 498.608 4.840 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1ccncc1 ZINC000223451182 569911753 /nfs/dbraw/zinc/91/17/53/569911753.db2.gz GMCMFGYGNISTIS-DQEYMECFSA-N 0 0 454.603 4.511 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000223451967 569911827 /nfs/dbraw/zinc/91/18/27/569911827.db2.gz BUTUHMBXQFMLGU-VWLOTQADSA-N 0 0 462.565 4.598 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223454520 569911832 /nfs/dbraw/zinc/91/18/32/569911832.db2.gz MYHPJSUWLGUHCR-IBGZPJMESA-N 0 0 461.002 4.841 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223461058 569912086 /nfs/dbraw/zinc/91/20/86/569912086.db2.gz IBXWHZQLCIFSLK-OAQYLSRUSA-N 0 0 484.637 4.759 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223469770 569912351 /nfs/dbraw/zinc/91/23/51/569912351.db2.gz WWCXVHAAACGWNX-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)O2 ZINC000223468204 569912332 /nfs/dbraw/zinc/91/23/32/569912332.db2.gz ZFKWZFLWQXBDBK-LVXARBLLSA-N 0 0 478.614 4.754 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000223471140 569912383 /nfs/dbraw/zinc/91/23/83/569912383.db2.gz XSCZAEWDBNWXCZ-GOSISDBHSA-N 0 0 463.043 4.915 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223471012 569912398 /nfs/dbraw/zinc/91/23/98/569912398.db2.gz UPSIJXTYZSGUSP-OAQYLSRUSA-N 0 0 456.652 4.879 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000223474737 569912554 /nfs/dbraw/zinc/91/25/54/569912554.db2.gz JHQDEJOZHPJTJX-UHFFFAOYSA-N 0 0 480.630 4.592 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000223475398 569912570 /nfs/dbraw/zinc/91/25/70/569912570.db2.gz UVRINIIWWRVNHI-UHFFFAOYSA-N 0 0 487.021 4.854 40 0 JJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223477465 569912624 /nfs/dbraw/zinc/91/26/24/569912624.db2.gz ZLVGAHXZVGHBBG-MHZLTWQESA-N 0 0 478.564 4.682 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000223483128 569912902 /nfs/dbraw/zinc/91/29/02/569912902.db2.gz BLOOQWWBMSYEFI-AREMUKBSSA-N 0 0 462.565 4.761 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223483588 569912949 /nfs/dbraw/zinc/91/29/49/569912949.db2.gz SWQVXBOHIISHIK-HHHXNRCGSA-N 0 0 492.591 4.770 40 0 JJABRN C[C@@H](CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223483730 569912967 /nfs/dbraw/zinc/91/29/67/569912967.db2.gz QVPPJSIEEIXXJN-SFHVURJKSA-N 0 0 487.419 4.564 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223485306 569913000 /nfs/dbraw/zinc/91/30/00/569913000.db2.gz CNINYDZZKAIKKW-QHCPKHFHSA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223487099 569913078 /nfs/dbraw/zinc/91/30/78/569913078.db2.gz UZBFTNSZXDHWHZ-SANMLTNESA-N 0 0 462.565 4.543 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223487037 569913112 /nfs/dbraw/zinc/91/31/12/569913112.db2.gz UZBFTNSZXDHWHZ-AREMUKBSSA-N 0 0 462.565 4.543 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223490184 569913218 /nfs/dbraw/zinc/91/32/18/569913218.db2.gz CEHUULXFHKQMMO-RUZDIDTESA-N 0 0 492.591 4.552 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223491951 569913307 /nfs/dbraw/zinc/91/33/07/569913307.db2.gz AAFYPGCOEASIEM-MUUNZHRXSA-N 0 0 467.544 4.850 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223494572 569913420 /nfs/dbraw/zinc/91/34/20/569913420.db2.gz ILOWUUBKIMDGJC-HHHXNRCGSA-N 0 0 462.565 4.681 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223498590 569913619 /nfs/dbraw/zinc/91/36/19/569913619.db2.gz KOBIWUJQRLCSGQ-NRFANRHFSA-N 0 0 472.651 4.605 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 ZINC000223499216 569913669 /nfs/dbraw/zinc/91/36/69/569913669.db2.gz FUUHJAGCTMVWLG-XMMPIXPASA-N 0 0 495.417 4.604 40 0 JJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223500031 569913723 /nfs/dbraw/zinc/91/37/23/569913723.db2.gz KSJFUNQYHKTMNO-HXUWFJFHSA-N 0 0 453.435 4.823 40 0 JJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223500167 569913725 /nfs/dbraw/zinc/91/37/25/569913725.db2.gz XXIRKNCRLGTOTL-HXUWFJFHSA-N 0 0 453.435 4.823 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223506378 569913879 /nfs/dbraw/zinc/91/38/79/569913879.db2.gz NMFQBKPEMPUZBK-SFHVURJKSA-N 0 0 467.031 4.877 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223504996 569913904 /nfs/dbraw/zinc/91/39/04/569913904.db2.gz MSOKBXVKOHTPRV-MUUNZHRXSA-N 0 0 483.543 4.686 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000223505772 569913909 /nfs/dbraw/zinc/91/39/09/569913909.db2.gz QNIKMYFVTREKAG-UHFFFAOYSA-N 0 0 493.412 4.556 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)S(C)(=O)=O)c1 ZINC000223510246 569914031 /nfs/dbraw/zinc/91/40/31/569914031.db2.gz WCJXBZOVABIALO-UHFFFAOYSA-N 0 0 478.599 4.732 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223513880 569914143 /nfs/dbraw/zinc/91/41/43/569914143.db2.gz KIEBBQZSHXJGLE-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223514115 569914168 /nfs/dbraw/zinc/91/41/68/569914168.db2.gz LMVJPTAYIDQCOX-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc3ccccc32)c2ccccc2)cc1 ZINC000223514950 569914219 /nfs/dbraw/zinc/91/42/19/569914219.db2.gz AMNCBXVYSPVLST-UHFFFAOYSA-N 0 0 474.582 4.539 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223517425 569914269 /nfs/dbraw/zinc/91/42/69/569914269.db2.gz NQRZEXQPHFGSNY-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000223516086 569914281 /nfs/dbraw/zinc/91/42/81/569914281.db2.gz ALKGEGJGEFMNQE-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223519959 569914428 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CJYQLXOFABSZES-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN COc1ccccc1OCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223560442 569916065 /nfs/dbraw/zinc/91/60/65/569916065.db2.gz JBWNVGPVSZQZQI-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(F)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000223561440 569916130 /nfs/dbraw/zinc/91/61/30/569916130.db2.gz XBBFKWWYZUXJGJ-UHFFFAOYSA-N 0 0 484.593 4.648 40 0 JJABRN CC[C@H](C(=O)NCCOc1cccc2ccccc21)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223564365 569916235 /nfs/dbraw/zinc/91/62/35/569916235.db2.gz MNCMDITVCBJMAN-OAQYLSRUSA-N 0 0 495.428 4.886 40 0 JJABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000223564627 569916283 /nfs/dbraw/zinc/91/62/83/569916283.db2.gz TYUQWCUGEYWXMM-LMSSTIIKSA-N 0 0 486.612 4.693 40 0 JJABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000223564737 569916287 /nfs/dbraw/zinc/91/62/87/569916287.db2.gz TYUQWCUGEYWXMM-XRKRLSELSA-N 0 0 486.612 4.693 40 0 JJABRN CC[C@@H](C(=O)NCCOc1cccc2ccccc21)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223564718 569916315 /nfs/dbraw/zinc/91/63/15/569916315.db2.gz SHBVYWFIVDLBIM-QFIPXVFZSA-N 0 0 475.010 4.541 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2ccc(Cl)cc2)cc1 ZINC000223566571 569916325 /nfs/dbraw/zinc/91/63/25/569916325.db2.gz DVVLUFGIQXFGOG-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223567550 569916389 /nfs/dbraw/zinc/91/63/89/569916389.db2.gz SCQCCYFVHGUWBU-HHHXNRCGSA-N 0 0 495.019 4.814 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223594359 569917230 /nfs/dbraw/zinc/91/72/30/569917230.db2.gz BDZCZBQIDSTIQM-JOCHJYFZSA-N 0 0 475.427 4.860 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223594418 569917251 /nfs/dbraw/zinc/91/72/51/569917251.db2.gz BDZCZBQIDSTIQM-QFIPXVFZSA-N 0 0 475.427 4.860 40 0 JJABRN CCc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223596352 569917293 /nfs/dbraw/zinc/91/72/93/569917293.db2.gz KAFZTTKGPAJVCP-UHFFFAOYSA-N 0 0 488.609 4.793 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223597601 569917343 /nfs/dbraw/zinc/91/73/43/569917343.db2.gz WOLICGKDBZIBDY-OAQYLSRUSA-N 0 0 460.640 4.840 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CCCN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)s2)cc1 ZINC000223602448 569917524 /nfs/dbraw/zinc/91/75/24/569917524.db2.gz HWXRQAAUUYPBFD-UHFFFAOYSA-N 0 0 498.552 4.717 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223605746 569917607 /nfs/dbraw/zinc/91/76/07/569917607.db2.gz IHSFUPGWCARYJG-UHFFFAOYSA-N 0 0 472.994 4.937 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000223614648 569917910 /nfs/dbraw/zinc/91/79/10/569917910.db2.gz HEPJINHKAWMMLZ-UHFFFAOYSA-N 0 0 468.594 4.847 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223618739 569918104 /nfs/dbraw/zinc/91/81/04/569918104.db2.gz HXRZZPYGFKEKTM-DEOSSOPVSA-N 0 0 454.611 4.920 40 0 JJABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223632918 569918481 /nfs/dbraw/zinc/91/84/81/569918481.db2.gz BNSZGTZTBNOWQJ-VQTJNVASSA-N 0 0 476.371 4.598 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223633698 569918537 /nfs/dbraw/zinc/91/85/37/569918537.db2.gz QYZYBHMTPWEMJF-JOCHJYFZSA-N 0 0 495.428 4.886 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223654960 569919093 /nfs/dbraw/zinc/91/90/93/569919093.db2.gz ZLGITIQTSAHWOL-JOCHJYFZSA-N 0 0 481.058 4.686 40 0 JJABRN Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1CCCCC1 ZINC000223654759 569919124 /nfs/dbraw/zinc/91/91/24/569919124.db2.gz MPSAUHQVNJACLX-UHFFFAOYSA-N 0 0 477.011 4.594 40 0 JJABRN CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000223655365 569919183 /nfs/dbraw/zinc/91/91/83/569919183.db2.gz MXQIPCAOIGAUTL-UHFFFAOYSA-N 0 0 491.194 4.768 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223660614 569919323 /nfs/dbraw/zinc/91/93/23/569919323.db2.gz LOFBQSVFGQREHH-OAQYLSRUSA-N 0 0 491.426 4.559 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223662995 569919385 /nfs/dbraw/zinc/91/93/85/569919385.db2.gz FMNIVYFAZPTGJB-DEOSSOPVSA-N 0 0 454.611 4.920 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)Cc1ccccc1Cl ZINC000223667240 569919452 /nfs/dbraw/zinc/91/94/52/569919452.db2.gz RQCXJJZEDKIYSD-UHFFFAOYSA-N 0 0 491.396 4.625 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223667544 569919477 /nfs/dbraw/zinc/91/94/77/569919477.db2.gz GXUYVSCBVXCWLD-RTWAWAEBSA-N 0 0 486.391 4.640 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223669670 569919502 /nfs/dbraw/zinc/91/95/02/569919502.db2.gz GXMSCDJJDICAKX-VXKWHMMOSA-N 0 0 455.967 4.839 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223678986 569919783 /nfs/dbraw/zinc/91/97/83/569919783.db2.gz LTXVPTFDVQSRMV-DNQXCXABSA-N 0 0 483.037 4.987 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl ZINC000223682330 569919853 /nfs/dbraw/zinc/91/98/53/569919853.db2.gz SVRDQELDAXDZDI-RTWAWAEBSA-N 0 0 475.401 4.715 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Br)cc1 ZINC000223686204 569919953 /nfs/dbraw/zinc/91/99/53/569919953.db2.gz XBVIRPAGDGAOPT-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223686740 569919967 /nfs/dbraw/zinc/91/99/67/569919967.db2.gz VTTUPNXACSJJJN-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000223693737 569920216 /nfs/dbraw/zinc/92/02/16/569920216.db2.gz PRHDFCUYPMIEID-UHFFFAOYSA-N 0 0 472.651 4.666 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223693899 569920222 /nfs/dbraw/zinc/92/02/22/569920222.db2.gz VASOHTMYWIDBRA-QHCPKHFHSA-N 0 0 454.611 4.669 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223700478 569920401 /nfs/dbraw/zinc/92/04/01/569920401.db2.gz ARXOHSBCBPTHLC-RPBOFIJWSA-N 0 0 456.571 4.561 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223700518 569920420 /nfs/dbraw/zinc/92/04/20/569920420.db2.gz ARXOHSBCBPTHLC-LOSJGSFVSA-N 0 0 456.571 4.561 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223701905 569920427 /nfs/dbraw/zinc/92/04/27/569920427.db2.gz KIMHOJPLZJSUQG-RTWAWAEBSA-N 0 0 486.391 4.640 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223701940 569920437 /nfs/dbraw/zinc/92/04/37/569920437.db2.gz KIMHOJPLZJSUQG-LEWJYISDSA-N 0 0 486.391 4.640 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC ZINC000223710862 569920767 /nfs/dbraw/zinc/92/07/67/569920767.db2.gz PDWNYHQVBYISHK-PXDATVDWSA-N 0 0 492.591 4.768 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)cc2)cc1 ZINC000223729252 569921381 /nfs/dbraw/zinc/92/13/81/569921381.db2.gz NGCKKXODYIREOU-UHFFFAOYSA-N 0 0 460.640 4.920 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000223731992 569921494 /nfs/dbraw/zinc/92/14/94/569921494.db2.gz OAWFQPFWTXKCJU-FCHUYYIVSA-N 0 0 499.434 4.561 40 0 JJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(OC)c(C)c1 ZINC000223743488 569921880 /nfs/dbraw/zinc/92/18/80/569921880.db2.gz KKVWDXMIXYLTFP-QHCPKHFHSA-N 0 0 452.576 4.994 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc(C)c1Br ZINC000223744310 569921949 /nfs/dbraw/zinc/92/19/49/569921949.db2.gz JPYQPNVLQJIBDU-LJQANCHMSA-N 0 0 487.438 4.921 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000223748784 569922049 /nfs/dbraw/zinc/92/20/49/569922049.db2.gz LIACIJBFZVSBLA-UHFFFAOYSA-N 0 0 480.630 4.759 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223753196 569922196 /nfs/dbraw/zinc/92/21/96/569922196.db2.gz ONNIMHOQCOLNSU-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN COc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223754107 569922252 /nfs/dbraw/zinc/92/22/52/569922252.db2.gz BBSUXHQORJZXIS-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 ZINC000223759839 569922387 /nfs/dbraw/zinc/92/23/87/569922387.db2.gz HVIOXPQRNIOSMT-FNZWTVRRSA-N 0 0 480.555 4.898 40 0 JJABRN COCc1cccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000223760817 569922440 /nfs/dbraw/zinc/92/24/40/569922440.db2.gz ZMIVUBREMUEAST-UHFFFAOYSA-N 0 0 458.967 4.705 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223761800 569922467 /nfs/dbraw/zinc/92/24/67/569922467.db2.gz AGOVMAAMRLKDEH-UHFFFAOYSA-N 0 0 487.021 4.854 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000223762767 569922510 /nfs/dbraw/zinc/92/25/10/569922510.db2.gz ARNMOASCMQYXIK-UHFFFAOYSA-N 0 0 480.630 4.893 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223764626 569922579 /nfs/dbraw/zinc/92/25/79/569922579.db2.gz YYWPVLJNCNCDEX-UHFFFAOYSA-N 0 0 493.840 4.731 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223766715 569922655 /nfs/dbraw/zinc/92/26/55/569922655.db2.gz VUAVKQIANIANQL-HHHXNRCGSA-N 0 0 488.628 4.775 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000223769216 569922704 /nfs/dbraw/zinc/92/27/04/569922704.db2.gz CMUVPIBHKYEOCQ-HHHXNRCGSA-N 0 0 458.602 4.631 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223769984 569922715 /nfs/dbraw/zinc/92/27/15/569922715.db2.gz BRVBLILJNPOAMA-NDEPHWFRSA-N 0 0 472.629 4.966 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)cc1 ZINC000223775677 569922910 /nfs/dbraw/zinc/92/29/10/569922910.db2.gz QWNVDPPNMJNWPN-UHFFFAOYSA-N 0 0 462.622 4.709 40 0 JJABRN C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223779129 569923021 /nfs/dbraw/zinc/92/30/21/569923021.db2.gz SZZYZGKKTFNVME-SFHVURJKSA-N 0 0 472.994 4.646 40 0 JJABRN Cc1ccccc1CN(C(=O)COc1ccc(Br)c(C)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223780169 569923094 /nfs/dbraw/zinc/92/30/94/569923094.db2.gz MVMNDYDPCPUGLZ-LJQANCHMSA-N 0 0 487.438 4.921 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223791414 569923430 /nfs/dbraw/zinc/92/34/30/569923430.db2.gz PJACSFYVWFCTCT-JWQCQUIFSA-N 0 0 455.587 4.902 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223791364 569923461 /nfs/dbraw/zinc/92/34/61/569923461.db2.gz PJACSFYVWFCTCT-LOSJGSFVSA-N 0 0 455.587 4.902 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 ZINC000223790294 569923462 /nfs/dbraw/zinc/92/34/62/569923462.db2.gz TZMFVGZRVJZBMH-UHFFFAOYSA-N 0 0 481.376 4.687 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1)c1ccccc1 ZINC000223797614 569923704 /nfs/dbraw/zinc/92/37/04/569923704.db2.gz WHZDVVKLIWPKCR-UHFFFAOYSA-N 0 0 471.582 4.891 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223805201 569923855 /nfs/dbraw/zinc/92/38/55/569923855.db2.gz SDICOPXHKRKCDI-NRFANRHFSA-N 0 0 452.595 4.639 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808090 569923952 /nfs/dbraw/zinc/92/39/52/569923952.db2.gz FQLMEMCNIRNBPT-FQEVSTJZSA-N 0 0 454.636 4.713 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223820133 569924283 /nfs/dbraw/zinc/92/42/83/569924283.db2.gz WXNQTDPTUYUPRL-INIZCTEOSA-N 0 0 493.829 4.957 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223822029 569924341 /nfs/dbraw/zinc/92/43/41/569924341.db2.gz PAXISRVZDPSQNU-HXUWFJFHSA-N 0 0 487.449 4.857 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000223827996 569924549 /nfs/dbraw/zinc/92/45/49/569924549.db2.gz XUCJSNCXTCUUJK-UHFFFAOYSA-N 0 0 480.630 4.723 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223837353 569924802 /nfs/dbraw/zinc/92/48/02/569924802.db2.gz ARUOEXRXTIHLJG-GOSISDBHSA-N 0 0 467.031 4.877 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1cccnc1 ZINC000223846707 569924964 /nfs/dbraw/zinc/92/49/64/569924964.db2.gz FXKTTZOMDZSPEY-JWQCQUIFSA-N 0 0 455.587 4.826 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1OC ZINC000223859104 569925359 /nfs/dbraw/zinc/92/53/59/569925359.db2.gz LSPWHLHBRIVEQS-GOSISDBHSA-N 0 0 473.013 4.766 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223874310 569925840 /nfs/dbraw/zinc/92/58/40/569925840.db2.gz BQOMPEJLQMWYOW-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN C[C@H](CNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 ZINC000223879792 569926025 /nfs/dbraw/zinc/92/60/25/569926025.db2.gz ZRRFGHHNQBXHMN-YULRPQQCSA-N 0 0 480.674 4.840 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223881056 569926111 /nfs/dbraw/zinc/92/61/11/569926111.db2.gz RVCZCIPASSZMQM-UHFFFAOYSA-N 0 0 458.668 4.617 40 0 JJABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)nc1 ZINC000223887170 569926307 /nfs/dbraw/zinc/92/63/07/569926307.db2.gz XUJZMHCVGIKSSV-DQEYMECFSA-N 0 0 454.603 4.819 40 0 JJABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)nc1 ZINC000223887113 569926321 /nfs/dbraw/zinc/92/63/21/569926321.db2.gz XUJZMHCVGIKSSV-LOSJGSFVSA-N 0 0 454.603 4.819 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccccc1 ZINC000223890551 569926409 /nfs/dbraw/zinc/92/64/09/569926409.db2.gz ZCVNYUWEIKPUNF-KRWDZBQOSA-N 0 0 463.441 4.875 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000223900445 569926659 /nfs/dbraw/zinc/92/66/59/569926659.db2.gz YMMDHYOQRLRAIS-HHHXNRCGSA-N 0 0 460.599 4.886 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C ZINC000223905163 569926805 /nfs/dbraw/zinc/92/68/05/569926805.db2.gz CKVVJPAAVSJBPG-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Br)nc1Br ZINC000223910414 569926985 /nfs/dbraw/zinc/92/69/85/569926985.db2.gz HNALFWWOSFIZPF-UHFFFAOYSA-N 0 0 468.174 4.748 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2cccc(Cl)c2)cc1 ZINC000223907001 569926859 /nfs/dbraw/zinc/92/68/59/569926859.db2.gz OGCYZWAMRTYWMD-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223909701 569927004 /nfs/dbraw/zinc/92/70/04/569927004.db2.gz ZMFLPNCXHLWJHC-AWEZNQCLSA-N 0 0 457.785 4.887 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223915852 569927122 /nfs/dbraw/zinc/92/71/22/569927122.db2.gz BJOFUOOZKKFKKF-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2cccc(C)c2C)cc1 ZINC000223915125 569927137 /nfs/dbraw/zinc/92/71/37/569927137.db2.gz IVQWLNHSCNNLQZ-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)Nc3nnc(SCC(C)C)s3)cc2)S(C)(=O)=O)cc1 ZINC000223915957 569927151 /nfs/dbraw/zinc/92/71/51/569927151.db2.gz SNFKVOALWPHOBM-UHFFFAOYSA-N 0 0 490.676 4.813 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223917638 569927222 /nfs/dbraw/zinc/92/72/22/569927222.db2.gz HROWPWQNDFYLDS-FTJBHMTQSA-N 0 0 497.624 4.902 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223917921 569927229 /nfs/dbraw/zinc/92/72/29/569927229.db2.gz RBSGXAKKYOLELF-SFHVURJKSA-N 0 0 491.426 4.560 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223917870 569927259 /nfs/dbraw/zinc/92/72/59/569927259.db2.gz PJWUXSJHCHDPAS-IZZNHLLZSA-N 0 0 497.624 4.902 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(N2CCOCC2)cc1 ZINC000223920166 569927267 /nfs/dbraw/zinc/92/72/67/569927267.db2.gz WKXUPLQYWCLXMQ-LEWJYISDSA-N 0 0 457.024 4.810 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1 ZINC000223922307 569927384 /nfs/dbraw/zinc/92/73/84/569927384.db2.gz NQURVVOZTBRNNO-UHFFFAOYSA-N 0 0 487.581 4.758 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)cc1 ZINC000223921738 569927407 /nfs/dbraw/zinc/92/74/07/569927407.db2.gz VBEMYIAKNHWZHS-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)c1 ZINC000223922047 569927428 /nfs/dbraw/zinc/92/74/28/569927428.db2.gz OQYGWDPVMSCWGD-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223929436 569927629 /nfs/dbraw/zinc/92/76/29/569927629.db2.gz XKMLHSKFMNNGRI-JWQCQUIFSA-N 0 0 461.635 4.534 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1C ZINC000223946769 569928056 /nfs/dbraw/zinc/92/80/56/569928056.db2.gz FXHULFUCFVDLCT-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223956639 569928353 /nfs/dbraw/zinc/92/83/53/569928353.db2.gz ZBHXMXBASXSELZ-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000223963679 569928601 /nfs/dbraw/zinc/92/86/01/569928601.db2.gz ONVOYOUBIWXHFK-CUNXSJBXSA-N 0 0 474.601 4.629 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)c(C)c1 ZINC000223971710 569928944 /nfs/dbraw/zinc/92/89/44/569928944.db2.gz WHDULUZSQUIGHS-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Br)nc1Br ZINC000223973049 569929014 /nfs/dbraw/zinc/92/90/14/569929014.db2.gz DFZNLZXUPWXQPD-UHFFFAOYSA-N 0 0 470.234 4.800 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 ZINC000223976129 569929148 /nfs/dbraw/zinc/92/91/48/569929148.db2.gz RILGDQHXUGWHAC-JOCHJYFZSA-N 0 0 491.426 4.560 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C(C)C ZINC000223975210 569929156 /nfs/dbraw/zinc/92/91/56/569929156.db2.gz QWYQEPILQGREBZ-SFHVURJKSA-N 0 0 475.427 4.895 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000223979730 569929294 /nfs/dbraw/zinc/92/92/94/569929294.db2.gz KZLGMWMHQCHWKR-HHHXNRCGSA-N 0 0 460.599 4.886 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223980632 569929345 /nfs/dbraw/zinc/92/93/45/569929345.db2.gz LVQRQAHWDIUCKB-QHCPKHFHSA-N 0 0 460.615 4.791 40 0 JJABRN Fc1ccc(C2(CNC(=S)Nc3ncc(Br)nc3Br)CCCC2)cc1 ZINC000223982895 569929405 /nfs/dbraw/zinc/92/94/05/569929405.db2.gz LGANPPIUBLDGLH-UHFFFAOYSA-N 0 0 488.224 4.939 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000223986240 569929495 /nfs/dbraw/zinc/92/94/95/569929495.db2.gz QSJPVGJXVGCONB-DEOSSOPVSA-N 0 0 456.652 4.961 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2cccc(Cl)c2)cc1 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ZINC000408614606 569974082 /nfs/dbraw/zinc/97/40/82/569974082.db2.gz FEWSTUKUHZFAAZ-IBGZPJMESA-N 0 0 461.949 4.570 40 0 JJABRN CCn1c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)cc4)c3)cc2sc1=O ZINC000225091136 569974365 /nfs/dbraw/zinc/97/43/65/569974365.db2.gz FQVVYRGYDAPFET-UHFFFAOYSA-N 0 0 481.599 4.753 40 0 JJABRN CCn1c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4)c3)cc2sc1=O ZINC000225091083 569974404 /nfs/dbraw/zinc/97/44/04/569974404.db2.gz YNRMMQXRKPXUQZ-UHFFFAOYSA-N 0 0 481.599 4.753 40 0 JJABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000408615430 569974693 /nfs/dbraw/zinc/97/46/93/569974693.db2.gz QHUZWRCULLEAOQ-QFIPXVFZSA-N 0 0 455.558 4.533 40 0 JJABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)ccc1NC(=O)C(C)(C)C ZINC000225097383 569974890 /nfs/dbraw/zinc/97/48/90/569974890.db2.gz MDVOJEGMNAHNNV-PKTZIBPZSA-N 0 0 477.634 4.899 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccc(Cl)cc2)cc1OC ZINC000225097982 569975020 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ZINC000225144624 569977813 /nfs/dbraw/zinc/97/78/13/569977813.db2.gz ZWBMQJCDJWKPPO-RTWAWAEBSA-N 0 0 453.999 4.845 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(I)c1OC ZINC000408620796 569977929 /nfs/dbraw/zinc/97/79/29/569977929.db2.gz MHLFPNYMBCEZFY-UHFFFAOYSA-N 0 0 494.098 4.852 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000408620862 569978074 /nfs/dbraw/zinc/97/80/74/569978074.db2.gz KATHSWWIJMDBKN-UHFFFAOYSA-N 0 0 460.939 4.557 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225151710 569978336 /nfs/dbraw/zinc/97/83/36/569978336.db2.gz VFGUMHDCKLKLRU-UHFFFAOYSA-N 0 0 487.647 4.625 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2)cc1 ZINC000408621666 569978386 /nfs/dbraw/zinc/97/83/86/569978386.db2.gz NQTUHCXAEWEHBZ-UHFFFAOYSA-N 0 0 466.603 4.840 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408621897 569978512 /nfs/dbraw/zinc/97/85/12/569978512.db2.gz 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CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000225588805 570007974 /nfs/dbraw/zinc/00/79/74/570007974.db2.gz FYKZEGIOOJQXIZ-CQSZACIVSA-N 0 0 485.781 4.562 40 0 JJABRN O=C(CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccco1)Nc1ccc(F)cc1 ZINC000225588262 570008005 /nfs/dbraw/zinc/00/80/05/570008005.db2.gz QYYIYIRNADUEQH-LOSJGSFVSA-N 0 0 489.576 4.665 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000225590244 570008231 /nfs/dbraw/zinc/00/82/31/570008231.db2.gz PZMOVZLXVZGIRK-AREMUKBSSA-N 0 0 458.602 4.685 40 0 JJABRN COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 ZINC000408672371 570008237 /nfs/dbraw/zinc/00/82/37/570008237.db2.gz YZGBMJCLZRXKQZ-HXUWFJFHSA-N 0 0 488.540 4.639 40 0 JJABRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c(C)cc1Br ZINC000408672842 570008418 /nfs/dbraw/zinc/00/84/18/570008418.db2.gz XLGGSSOSSWGRMP-UHFFFAOYSA-N 0 0 461.356 4.583 40 0 JJABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408672850 570008421 /nfs/dbraw/zinc/00/84/21/570008421.db2.gz XNMBGAYUMGQDOK-UHFFFAOYSA-N 0 0 488.584 4.684 40 0 JJABRN O=C(CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1)Nc1ccccc1F ZINC000225605228 570008769 /nfs/dbraw/zinc/00/87/69/570008769.db2.gz XHYULTYVGXUUKH-UXHICEINSA-N 0 0 460.987 4.937 40 0 JJABRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408673855 570008835 /nfs/dbraw/zinc/00/88/35/570008835.db2.gz XVHFDZZRATWLGV-RLLQIKCJSA-N 0 0 494.975 4.595 40 0 JJABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c1 ZINC000225606600 570009004 /nfs/dbraw/zinc/00/90/04/570009004.db2.gz UTEKGLTUTQZBEZ-DHIUTWEWSA-N 0 0 451.571 4.604 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)c(C)n1C1CC1 ZINC000225608088 570009059 /nfs/dbraw/zinc/00/90/59/570009059.db2.gz WLBHBLRQRRUGRW-DQEYMECFSA-N 0 0 477.609 4.975 40 0 JJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccc(OC)c(C)c1 ZINC000225608166 570009074 /nfs/dbraw/zinc/00/90/74/570009074.db2.gz QOAROMHELQOGJD-QFIPXVFZSA-N 0 0 452.576 4.994 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000408674369 570009125 /nfs/dbraw/zinc/00/91/25/570009125.db2.gz ZLUQODAPXFIXFA-UHFFFAOYSA-N 0 0 481.302 4.519 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Br)c1 ZINC000408674637 570009394 /nfs/dbraw/zinc/00/93/94/570009394.db2.gz AUNMADZKTPIDAX-UHFFFAOYSA-N 0 0 493.354 4.715 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000225612222 570009449 /nfs/dbraw/zinc/00/94/49/570009449.db2.gz HOXSIIOCDMOGGT-CQSZACIVSA-N 0 0 457.785 4.968 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000225611208 570009461 /nfs/dbraw/zinc/00/94/61/570009461.db2.gz UFSYCFPMZKJHFQ-AREMUKBSSA-N 0 0 495.019 4.894 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)c1 ZINC000408674794 570009511 /nfs/dbraw/zinc/00/95/11/570009511.db2.gz CPQBWWQNLWZEPG-UHFFFAOYSA-N 0 0 472.950 4.669 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)c1C ZINC000225612562 570009586 /nfs/dbraw/zinc/00/95/86/570009586.db2.gz VLHOQDYXVFNNNK-QGZVFWFLSA-N 0 0 451.394 4.931 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000408674888 570009706 /nfs/dbraw/zinc/00/97/06/570009706.db2.gz LNSMRFJYLVIVEP-UHFFFAOYSA-N 0 0 452.576 4.993 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000225618061 570010066 /nfs/dbraw/zinc/01/00/66/570010066.db2.gz IATUUWAGXSECHF-HSZRJFAPSA-N 0 0 471.384 4.758 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)c(C)c2)cc1 ZINC000408675301 570010133 /nfs/dbraw/zinc/01/01/33/570010133.db2.gz VFKCSTCUCVUXCX-UHFFFAOYSA-N 0 0 472.588 4.544 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000408675373 570010244 /nfs/dbraw/zinc/01/02/44/570010244.db2.gz HWZNXCDRNAAAAY-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000225630468 570010864 /nfs/dbraw/zinc/01/08/64/570010864.db2.gz MUCJTSWBFNNJQN-CQSZACIVSA-N 0 0 457.785 4.968 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000408676868 570010753 /nfs/dbraw/zinc/01/07/53/570010753.db2.gz DLUKQOOJDCCMRV-UHFFFAOYSA-N 0 0 453.292 4.740 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000225629878 570010767 /nfs/dbraw/zinc/01/07/67/570010767.db2.gz ADAZPECQKCSFOZ-OAHLLOKOSA-N 0 0 465.377 4.597 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000408677042 570010882 /nfs/dbraw/zinc/01/08/82/570010882.db2.gz PNJCMMDJNUPNQC-UHFFFAOYSA-N 0 0 462.999 4.835 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000225634167 570011049 /nfs/dbraw/zinc/01/10/49/570011049.db2.gz RMWVLADTHAQNQY-VWLOTQADSA-N 0 0 464.993 4.722 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)c1 ZINC000408677715 570011110 /nfs/dbraw/zinc/01/11/10/570011110.db2.gz QYECRSKNERGVQQ-UHFFFAOYSA-N 0 0 460.552 4.674 40 0 JJABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000225635613 570011197 /nfs/dbraw/zinc/01/11/97/570011197.db2.gz MWBYUBDOTOTFMO-MHZLTWQESA-N 0 0 488.628 4.939 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000225634283 570011199 /nfs/dbraw/zinc/01/11/99/570011199.db2.gz IEIGBASJVQFNCC-RUZDIDTESA-N 0 0 464.993 4.885 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000225637496 570011324 /nfs/dbraw/zinc/01/13/24/570011324.db2.gz ISCZGQKDOPGFDL-XMMPIXPASA-N 0 0 495.019 4.676 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 ZINC000408678691 570011393 /nfs/dbraw/zinc/01/13/93/570011393.db2.gz FYBKCLQYBBELEW-IFMALSPDSA-N 0 0 460.530 4.742 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408679220 570011613 /nfs/dbraw/zinc/01/16/13/570011613.db2.gz VKEFWIVDCWAGFM-UHFFFAOYSA-N 0 0 456.486 4.577 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1C ZINC000225643347 570011785 /nfs/dbraw/zinc/01/17/85/570011785.db2.gz SJQQQSPOOQUYKW-KRWDZBQOSA-N 0 0 451.394 4.931 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1Cl ZINC000225644330 570011911 /nfs/dbraw/zinc/01/19/11/570011911.db2.gz OVWFZEYODYZRBW-CQSZACIVSA-N 0 0 457.785 4.968 40 0 JJABRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 ZINC000225645217 570012143 /nfs/dbraw/zinc/01/21/43/570012143.db2.gz HHJLSELJQOUSLU-FTJBHMTQSA-N 0 0 485.613 4.834 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1OC ZINC000225646335 570012154 /nfs/dbraw/zinc/01/21/54/570012154.db2.gz GICKESXMQZSPCN-INIZCTEOSA-N 0 0 481.420 4.885 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)c1C ZINC000225649926 570012399 /nfs/dbraw/zinc/01/23/99/570012399.db2.gz JOQVSRKSLOCDTG-KRWDZBQOSA-N 0 0 451.394 4.931 40 0 JJABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000408681023 570012452 /nfs/dbraw/zinc/01/24/52/570012452.db2.gz VUFTZYIOIBZENH-HXUWFJFHSA-N 0 0 474.966 4.946 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000225652739 570012475 /nfs/dbraw/zinc/01/24/75/570012475.db2.gz YKISKMVZRUJEBM-BWAHOGKJSA-N 0 0 462.546 4.595 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225652251 570012510 /nfs/dbraw/zinc/01/25/10/570012510.db2.gz WKPCYOYVHFPZIO-KRWDZBQOSA-N 0 0 493.467 4.633 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225653900 570012602 /nfs/dbraw/zinc/01/26/02/570012602.db2.gz JSOWJPAUZPXGTB-JPYJTQIMSA-N 0 0 475.564 4.661 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225653925 570012615 /nfs/dbraw/zinc/01/26/15/570012615.db2.gz JSOWJPAUZPXGTB-MBSDFSHPSA-N 0 0 475.564 4.661 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2C)c1 ZINC000225656846 570012727 /nfs/dbraw/zinc/01/27/27/570012727.db2.gz KBVAKIAGSMWOMP-UHFFFAOYSA-N 0 0 476.649 4.956 40 0 JJABRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000225656317 570012736 /nfs/dbraw/zinc/01/27/36/570012736.db2.gz SZPNSPSGCHHNMW-MUUNZHRXSA-N 0 0 488.628 4.939 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225657247 570012836 /nfs/dbraw/zinc/01/28/36/570012836.db2.gz USNKJIFDNLOTRQ-YADARESESA-N 0 0 458.574 4.715 40 0 JJABRN COc1cccc(C(=O)C[C@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408682838 570013029 /nfs/dbraw/zinc/01/30/29/570013029.db2.gz JZNPXLSRUBYBQV-HSZRJFAPSA-N 0 0 456.947 4.955 40 0 JJABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000225659730 570013133 /nfs/dbraw/zinc/01/31/33/570013133.db2.gz LAKUBLXXAFUNNG-LEWJYISDSA-N 0 0 473.023 4.806 40 0 JJABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C ZINC000225662257 570013159 /nfs/dbraw/zinc/01/31/59/570013159.db2.gz 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CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000409233442 570178687 /nfs/dbraw/zinc/17/86/87/570178687.db2.gz SFHFNMKSSNYTAZ-UHFFFAOYSA-N 0 0 466.603 4.568 40 0 JJABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@@H](C)CO)n1 ZINC000328968995 570179855 /nfs/dbraw/zinc/17/98/55/570179855.db2.gz DBTBBLFZVONZGV-AWEZNQCLSA-N 0 0 466.891 4.693 40 0 JJABRN CC[C@H](C)Nc1nc(Nc2ccc(OC)cc2OC)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970836 570179946 /nfs/dbraw/zinc/17/99/46/570179946.db2.gz DMRONSSNGXMEKO-AWEZNQCLSA-N 0 0 462.472 4.857 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000409236517 570180051 /nfs/dbraw/zinc/18/00/51/570180051.db2.gz RSGVDHNQZROIOC-UHFFFAOYSA-N 0 0 490.669 4.622 40 0 JJABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409236652 570180054 /nfs/dbraw/zinc/18/00/54/570180054.db2.gz SRSWEQRYZBGKKG-FYJGNVAPSA-N 0 0 491.931 4.772 40 0 JJABRN CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2cccnc2)n1 ZINC000328976690 570180268 /nfs/dbraw/zinc/18/02/68/570180268.db2.gz FPLRUKBCWDQVIQ-UHFFFAOYSA-N 0 0 452.278 4.728 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000409237702 570180497 /nfs/dbraw/zinc/18/04/97/570180497.db2.gz LAMCXHLSTSFPEI-CXUHLZMHSA-N 0 0 467.330 4.686 40 0 JJABRN Fc1cc(I)ccc1Nc1cc(-c2ccccc2)nc(NC2CCCC2)n1 ZINC000328993056 570180817 /nfs/dbraw/zinc/18/08/17/570180817.db2.gz IYEZAEOUBIQOOI-UHFFFAOYSA-N 0 0 474.321 4.829 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329000726 570181060 /nfs/dbraw/zinc/18/10/60/570181060.db2.gz KCUAKAKYSGSCBY-IBGZPJMESA-N 0 0 450.436 5.354 40 0 JJABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O ZINC000409239817 570181411 /nfs/dbraw/zinc/18/14/11/570181411.db2.gz FIPNVSCFKJIOFP-WOJGMQOQSA-N 0 0 486.311 4.793 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409240283 570181618 /nfs/dbraw/zinc/18/16/18/570181618.db2.gz PIYQSLXRSONDHG-WOJGMQOQSA-N 0 0 477.330 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ZINC000329034792 570182436 /nfs/dbraw/zinc/18/24/36/570182436.db2.gz QZYGEYDVHZJMJI-CQSZACIVSA-N 0 0 490.482 4.635 40 0 JJABRN C[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329033346 570182498 /nfs/dbraw/zinc/18/24/98/570182498.db2.gz QTTCXUTYFRMZHL-NSHDSACASA-N 0 0 473.282 4.729 40 0 JJABRN COc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1OC ZINC000409243430 570182948 /nfs/dbraw/zinc/18/29/48/570182948.db2.gz YOCYZFADGDNWNP-CAOOACKPSA-N 0 0 467.330 4.686 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000409245561 570183923 /nfs/dbraw/zinc/18/39/23/570183923.db2.gz VVICFSLIENDAHD-WOJGMQOQSA-N 0 0 459.340 4.648 40 0 JJABRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc2ccccc2c1 ZINC000408526678 570186125 /nfs/dbraw/zinc/18/61/25/570186125.db2.gz BTTTXNHOFQBEGR-UHFFFAOYSA-N 0 0 494.020 4.637 40 0 JJABRN CCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000408532213 570188383 /nfs/dbraw/zinc/18/83/83/570188383.db2.gz NNNAKSKIMXOVFP-UHFFFAOYSA-N 0 0 480.630 4.747 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)cc1 ZINC000409271231 570189298 /nfs/dbraw/zinc/18/92/98/570189298.db2.gz KUDSESNNHANDHM-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408535116 570189748 /nfs/dbraw/zinc/18/97/48/570189748.db2.gz UQGGIBNQXLLBFU-LJQANCHMSA-N 0 0 477.413 4.864 40 0 JJABRN O=C(Cc1cccc2ccccc21)Nc1cc2[nH]c(=O)[nH]c2cc1N1CCN(c2ccccc2)CC1 ZINC000408535222 570189948 /nfs/dbraw/zinc/18/99/48/570189948.db2.gz YAQVONDYSJDPLK-UHFFFAOYSA-N 0 0 477.568 4.930 40 0 JJABRN COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C/[N+](=O)[O-])cc1 ZINC000408537297 570190788 /nfs/dbraw/zinc/19/07/88/570190788.db2.gz UYZDLLJYHVADRD-VOTSOKGWSA-N 0 0 457.074 4.687 40 0 JJABRN O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)Nc1ccccc1O ZINC000408541735 570191597 /nfs/dbraw/zinc/19/15/97/570191597.db2.gz DHWURBSOVIKSRA-UHFFFAOYSA-N 0 0 497.374 4.839 40 0 JJABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1O ZINC000408541888 570191743 /nfs/dbraw/zinc/19/17/43/570191743.db2.gz GKBSHFBUJKOENQ-UHFFFAOYSA-N 0 0 450.951 4.948 40 0 JJABRN Cc1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)ccc1Cl ZINC000408543606 570192109 /nfs/dbraw/zinc/19/21/09/570192109.db2.gz PGMJDEIBUZAFQA-UHFFFAOYSA-N 0 0 467.776 4.643 40 0 JJABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000408544215 570192407 /nfs/dbraw/zinc/19/24/07/570192407.db2.gz AIMNCPCNQPGYNE-UHFFFAOYSA-N 0 0 466.559 4.760 40 0 JJABRN Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccccc2O)c(C)c1 ZINC000408545085 570192718 /nfs/dbraw/zinc/19/27/18/570192718.db2.gz YLCZMXLVQXNKFL-UHFFFAOYSA-N 0 0 458.587 4.708 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408544947 570192720 /nfs/dbraw/zinc/19/27/20/570192720.db2.gz JJPLFLVXLGOQPQ-UHFFFAOYSA-N 0 0 489.062 4.893 40 0 JJABRN O=C(NCCSCc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000408546061 570193179 /nfs/dbraw/zinc/19/31/79/570193179.db2.gz PZUKDHCYSYEYLH-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN Cc1ccc(N([C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000408546750 570193463 /nfs/dbraw/zinc/19/34/63/570193463.db2.gz UYXCCBLWHRZWKY-OAHLLOKOSA-N 0 0 475.463 4.506 40 0 JJABRN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408548798 570194372 /nfs/dbraw/zinc/19/43/72/570194372.db2.gz VHWXYYWUXZBDPF-SNVBAGLBSA-N 0 0 455.285 4.805 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2ccccc2I)C1=O)Nc1ccc(Cl)cc1 ZINC000408550070 570194897 /nfs/dbraw/zinc/19/48/97/570194897.db2.gz DFCNCMNBQXNHEP-DHDCSXOGSA-N 0 0 498.729 4.620 40 0 JJABRN CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550725 570194962 /nfs/dbraw/zinc/19/49/62/570194962.db2.gz GXVIGSDNELTPII-UHFFFAOYSA-N 0 0 494.112 4.827 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1Cl ZINC000408551443 570195238 /nfs/dbraw/zinc/19/52/38/570195238.db2.gz HWPUIECDVXXBHJ-UHFFFAOYSA-N 0 0 465.015 4.820 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408553172 570195744 /nfs/dbraw/zinc/19/57/44/570195744.db2.gz OQRPIKSOTZRUAQ-UHFFFAOYSA-N 0 0 492.475 4.726 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000408554043 570196139 /nfs/dbraw/zinc/19/61/39/570196139.db2.gz BFPPJTBNRGKPAW-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000408554621 570196318 /nfs/dbraw/zinc/19/63/18/570196318.db2.gz CVVNCXFKQSNYIH-UHFFFAOYSA-N 0 0 488.993 4.625 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408554996 570196632 /nfs/dbraw/zinc/19/66/32/570196632.db2.gz WDJLNTLSYWNRIX-UHFFFAOYSA-N 0 0 489.391 4.830 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)NC1CCCCC1 ZINC000408555195 570196751 /nfs/dbraw/zinc/19/67/51/570196751.db2.gz FFLVDMUPMPZFHV-UHFFFAOYSA-N 0 0 490.069 4.530 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408555313 570196831 /nfs/dbraw/zinc/19/68/31/570196831.db2.gz AHDJZAGMYIFZPB-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000408555357 570196841 /nfs/dbraw/zinc/19/68/41/570196841.db2.gz AMKHNQYSYRMWFT-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)cc1OC ZINC000408556088 570197226 /nfs/dbraw/zinc/19/72/26/570197226.db2.gz CFCXNPCVLIJMBK-LJQANCHMSA-N 0 0 496.585 4.536 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000408556187 570197321 /nfs/dbraw/zinc/19/73/21/570197321.db2.gz CMZBCRASRQIOFH-UHFFFAOYSA-N 0 0 465.015 4.820 40 0 JJABRN COc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1 ZINC000409303223 570197342 /nfs/dbraw/zinc/19/73/42/570197342.db2.gz MITBFGMWNVECTQ-UHFFFAOYSA-N 0 0 460.939 4.546 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000409303949 570197468 /nfs/dbraw/zinc/19/74/68/570197468.db2.gz PBZVSIVSGHCXNE-UHFFFAOYSA-N 0 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COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(C)c2C)cc1 ZINC000408574993 570205603 /nfs/dbraw/zinc/20/56/03/570205603.db2.gz DVKRKUYUTPTFLR-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)CSCc1c(Cl)cccc1Cl)CN(C)CC2 ZINC000408576527 570205957 /nfs/dbraw/zinc/20/59/57/570205957.db2.gz VUSOCYLAMSESQB-UHFFFAOYSA-N 0 0 459.420 4.701 40 0 JJABRN O=C(Nc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 ZINC000408576850 570206037 /nfs/dbraw/zinc/20/60/37/570206037.db2.gz OATKCNGCHNJIRL-UHFFFAOYSA-N 0 0 495.308 4.504 40 0 JJABRN CC[C@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408577632 570206215 /nfs/dbraw/zinc/20/62/15/570206215.db2.gz IUCAFBDOSZSSDD-NSHDSACASA-N 0 0 481.767 4.839 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3cc(C)cc(C)c3)cc3cc(Cl)ccc32)cc1 ZINC000408578078 570206235 /nfs/dbraw/zinc/20/62/35/570206235.db2.gz KGCYAZFOKRYUFQ-UHFFFAOYSA-N 0 0 488.975 4.859 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408578239 570206295 /nfs/dbraw/zinc/20/62/95/570206295.db2.gz KKIJEOQDQMSJMT-UHFFFAOYSA-N 0 0 499.329 4.726 40 0 JJABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)C2)cc1 ZINC000408579089 570206403 /nfs/dbraw/zinc/20/64/03/570206403.db2.gz MNIKDRGMOUYOMI-DEOSSOPVSA-N 0 0 499.611 4.553 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000408579790 570206508 /nfs/dbraw/zinc/20/65/08/570206508.db2.gz OYWVRNPHIHFJIF-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CCn1c(COc2ccccc2F)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000408580215 570206561 /nfs/dbraw/zinc/20/65/61/570206561.db2.gz BFWKVOMPGDLKQY-UHFFFAOYSA-N 0 0 471.583 4.898 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCCCCC1 ZINC000408581761 570206810 /nfs/dbraw/zinc/20/68/10/570206810.db2.gz AJDYQIFLNUVUJD-UHFFFAOYSA-N 0 0 477.026 4.699 40 0 JJABRN CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408581866 570206812 /nfs/dbraw/zinc/20/68/12/570206812.db2.gz AWOZERRYPXGSLA-QFIPXVFZSA-N 0 0 487.419 4.540 40 0 JJABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408582100 570206877 /nfs/dbraw/zinc/20/68/77/570206877.db2.gz VMSLUSWUYBSNEX-IBGZPJMESA-N 0 0 491.975 4.579 40 0 JJABRN Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCc2ccccc2)c1 ZINC000408582606 570206991 /nfs/dbraw/zinc/20/69/91/570206991.db2.gz XGTWFFAQUZISAI-UHFFFAOYSA-N 0 0 488.975 4.593 40 0 JJABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000408582490 570207035 /nfs/dbraw/zinc/20/70/35/570207035.db2.gz WSVOKWGMMBRMCZ-IBGZPJMESA-N 0 0 491.975 4.579 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1Cl ZINC000408582939 570207136 /nfs/dbraw/zinc/20/71/36/570207136.db2.gz GFUFZNHCYVVAKE-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN CCc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(OC)cc2)cc2cc(Cl)ccc21 ZINC000408583090 570207191 /nfs/dbraw/zinc/20/71/91/570207191.db2.gz YUDRWTHGIZPZKL-UHFFFAOYSA-N 0 0 490.947 4.827 40 0 JJABRN CCn1c(COc2ccccc2)nnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000408583110 570207195 /nfs/dbraw/zinc/20/71/95/570207195.db2.gz RRMVBXRAZFZYIX-UHFFFAOYSA-N 0 0 453.593 4.758 40 0 JJABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000408583114 570207213 /nfs/dbraw/zinc/20/72/13/570207213.db2.gz YXRXZKAYWAHDST-LJQANCHMSA-N 0 0 491.975 4.579 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000408583525 570207296 /nfs/dbraw/zinc/20/72/96/570207296.db2.gz HXCNHZSBGSJQRQ-UHFFFAOYSA-N 0 0 477.797 4.885 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1)c1ccccc1 ZINC000408583567 570207336 /nfs/dbraw/zinc/20/73/36/570207336.db2.gz IKTSCOPJRCGABS-SFHVURJKSA-N 0 0 479.042 4.987 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000408583548 570207373 /nfs/dbraw/zinc/20/73/73/570207373.db2.gz IGFPZISZISHKBG-NRFANRHFSA-N 0 0 499.032 4.655 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1c(Cl)cccc1Cl ZINC000408584759 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195410881 /nfs/dbraw/zinc/41/08/81/195410881.db2.gz KICYVWYMCCKULS-OCKHKDLRSA-N 0 0 498.789 4.847 40 0 JJABRN COc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000106641855 195456689 /nfs/dbraw/zinc/45/66/89/195456689.db2.gz RQRNRTWZCOONQC-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1O ZINC000106701793 195458760 /nfs/dbraw/zinc/45/87/60/195458760.db2.gz BRRQCQXTHVSPOA-YVLHZVERSA-N 0 0 495.338 4.940 40 0 JJABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Br ZINC000106703377 195458978 /nfs/dbraw/zinc/45/89/78/195458978.db2.gz WHRJIPMKAJISIK-PDGQHHTCSA-N 0 0 475.364 4.913 40 0 JJABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224819442 195461247 /nfs/dbraw/zinc/46/12/47/195461247.db2.gz AWXLSQMQVGIJHZ-SFHVURJKSA-N 0 0 470.566 4.536 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224820968 195461577 /nfs/dbraw/zinc/46/15/77/195461577.db2.gz VEKFDRYDMZSCCW-AREMUKBSSA-N 0 0 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CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000409383894 195519241 /nfs/dbraw/zinc/51/92/41/195519241.db2.gz NXTBRCMUNIWXTH-UHFFFAOYSA-N 0 0 460.555 4.824 40 0 JJABRN Cc1ccc(SC[C@H](C)Cn2c(Sc3ccc(C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000096306429 130056574 /nfs/dbraw/zinc/05/65/74/130056574.db2.gz UVBYSVVHXZUAKO-QGZVFWFLSA-N 0 0 466.632 4.620 40 0 JJABRN CC(=O)c1ccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000016321942 518360929 /nfs/dbraw/zinc/36/09/29/518360929.db2.gz DMNCKZXDCUXAQY-UHFFFAOYSA-N 0 0 480.630 4.762 40 0 JJABRN CC(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501383 519714429 /nfs/dbraw/zinc/71/44/29/519714429.db2.gz VTALPCSINRKUCU-XMMPIXPASA-N 0 0 499.036 4.810 40 0 JJABRN CC(C)OC(=O)COc1cc2c(cc1Cl)[C@H](c1ccccc1)C[C@@]1(CC(C)(C)NC(=O)N1)O2 ZINC000002492407 519747527 /nfs/dbraw/zinc/74/75/27/519747527.db2.gz BRGQEIRFPIPSDU-BVZFJXPGSA-N 0 0 472.969 4.763 40 0 JJABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000022576437 519778705 /nfs/dbraw/zinc/77/87/05/519778705.db2.gz MWRTVROKBBCFAM-UHFFFAOYSA-N 0 0 465.966 4.988 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000020490770 519779234 /nfs/dbraw/zinc/77/92/34/519779234.db2.gz RYGCRZZNKACMKK-UHFFFAOYSA-N 0 0 472.994 4.639 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020453546 519779269 /nfs/dbraw/zinc/77/92/69/519779269.db2.gz QHCHGZUGHOBLKU-UHFFFAOYSA-N 0 0 472.994 4.639 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000020457605 519779495 /nfs/dbraw/zinc/77/94/95/519779495.db2.gz FSHVUFQDZVNDCJ-GOSISDBHSA-N 0 0 499.460 4.639 40 0 JJABRN CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)cc1 ZINC000012488086 519838918 /nfs/dbraw/zinc/83/89/18/519838918.db2.gz RNRMMVWEAKAICE-VWLOTQADSA-N 0 0 475.589 4.822 40 0 JJABRN CCCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 ZINC000020448069 520222751 /nfs/dbraw/zinc/22/27/51/520222751.db2.gz YHDGMYFOJRLBTI-UHFFFAOYSA-N 0 0 460.621 4.963 40 0 JJABRN CCCCCNS(=O)(=O)c1cccc2c(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)cccc21 ZINC000016638541 520227513 /nfs/dbraw/zinc/22/75/13/520227513.db2.gz VDYNUPFCUXNVJB-IBGZPJMESA-N 0 0 497.617 4.562 40 0 JJABRN CCOC(=O)C=C1NC(C)(C)C[C@@]12C(C)=CC(C)=C1CC(C)(C)NC(=CC(=O)OCC)C=C12 ZINC000008856095 520400032 /nfs/dbraw/zinc/40/00/32/520400032.db2.gz HAADRIUGNNOYSZ-MEQHDUNSSA-N 0 0 454.611 4.613 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000022576444 520443129 /nfs/dbraw/zinc/44/31/29/520443129.db2.gz ALQQGAVDSIOMTB-UHFFFAOYSA-N 0 0 465.966 4.990 40 0 JJABRN CC1=C(NC(=O)c2cc(-c3ccc(Br)cc3)on2)[C@H](C)NN1Cc1ccccc1C ZINC000020418482 520840340 /nfs/dbraw/zinc/84/03/40/520840340.db2.gz LVTWXFXDEUGPGP-HNNXBMFYSA-N 0 0 467.367 4.783 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 ZINC000016639186 520867811 /nfs/dbraw/zinc/86/78/11/520867811.db2.gz ICYNPWGMENKBGB-UHFFFAOYSA-N 0 0 475.058 4.788 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 ZINC000020152720 520899169 /nfs/dbraw/zinc/89/91/69/520899169.db2.gz PAZXAUNOVJWVJD-UHFFFAOYSA-N 0 0 454.548 4.753 40 0 JJABRN CCOc1ccc(C2=Nc3ccc(CC)cc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 ZINC000012497805 520932748 /nfs/dbraw/zinc/93/27/48/520932748.db2.gz SAFWSEAFEWRXEA-UHFFFAOYSA-N 0 0 454.574 4.918 40 0 JJABRN CCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020450564 520995490 /nfs/dbraw/zinc/99/54/90/520995490.db2.gz PLXFGOYKGBJQAD-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000022540175 521015405 /nfs/dbraw/zinc/01/54/05/521015405.db2.gz BSBUHQYWRKHWDZ-LJQANCHMSA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 ZINC000012490306 521019585 /nfs/dbraw/zinc/01/95/85/521019585.db2.gz DBXJGKAQBUZZGL-DEOSSOPVSA-N 0 0 493.629 4.566 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431240 521023598 /nfs/dbraw/zinc/02/35/98/521023598.db2.gz UUEWXRZGKGHHMN-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428826 521023761 /nfs/dbraw/zinc/02/37/61/521023761.db2.gz BRRSXXHBFCKFER-RUZDIDTESA-N 0 0 466.603 4.857 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000022749570 521124504 /nfs/dbraw/zinc/12/45/04/521124504.db2.gz GQBGBHWBKGSTIZ-ONNFQVAWSA-N 0 0 491.444 4.578 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537373 521133858 /nfs/dbraw/zinc/13/38/58/521133858.db2.gz RLQHVSQRHKZDHW-SFHVURJKSA-N 0 0 486.565 4.590 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000039986508 521190213 /nfs/dbraw/zinc/19/02/13/521190213.db2.gz MNRCNMKSDZFUQM-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O ZINC000016682169 521198437 /nfs/dbraw/zinc/19/84/37/521198437.db2.gz UPBZTBUVUPFBRJ-KOWBDXASSA-N 0 0 491.569 4.576 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020485458 521217530 /nfs/dbraw/zinc/21/75/30/521217530.db2.gz PBYYNJOXOCEMCC-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000044899834 521222337 /nfs/dbraw/zinc/22/23/37/521222337.db2.gz AWXMLNLDEYDQTG-QGZVFWFLSA-N 0 0 465.015 4.794 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000020044711 521252396 /nfs/dbraw/zinc/25/23/96/521252396.db2.gz VIMZCTPADAGGGV-FQEVSTJZSA-N 0 0 466.603 4.720 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430283 521252564 /nfs/dbraw/zinc/25/25/64/521252564.db2.gz IHDORUPOXBIHOX-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020455169 521253303 /nfs/dbraw/zinc/25/33/03/521253303.db2.gz CTNVOAADAQAJGN-FUHWJXTLSA-N 0 0 499.460 4.811 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000013501850 521333722 /nfs/dbraw/zinc/33/37/22/521333722.db2.gz YEHIXAUODVJNIA-HSZRJFAPSA-N 0 0 484.666 4.988 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cc(C)ccc1C ZINC000012484007 521337016 /nfs/dbraw/zinc/33/70/16/521337016.db2.gz ASYNXUSYQOUCIM-HSZRJFAPSA-N 0 0 481.618 4.767 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(N(CC)S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000044849025 521356919 /nfs/dbraw/zinc/35/69/19/521356919.db2.gz JOGDQPMQNJTOJX-UHFFFAOYSA-N 0 0 484.643 4.952 40 0 JJABRN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000016807625 521393013 /nfs/dbraw/zinc/39/30/13/521393013.db2.gz VSACRVGXYLVGDY-UHFFFAOYSA-N 0 0 464.543 4.925 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044844792 521443250 /nfs/dbraw/zinc/44/32/50/521443250.db2.gz 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ZINC000013506029 521848190 /nfs/dbraw/zinc/84/81/90/521848190.db2.gz XOZJUHQYUXFTLC-RUZDIDTESA-N 0 0 493.629 4.775 40 0 JJABRN CC[C@@H](C)N(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1ccccc1Cl ZINC000012491820 522032326 /nfs/dbraw/zinc/03/23/26/522032326.db2.gz WZQVCOGTAJNRDD-QRQCRPRQSA-N 0 0 477.005 4.638 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccn2C)c1 ZINC000012477818 522218603 /nfs/dbraw/zinc/21/86/03/522218603.db2.gz LLWDEDZPAVYPEI-RUZDIDTESA-N 0 0 493.629 4.639 40 0 JJABRN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448627 522282468 /nfs/dbraw/zinc/28/24/68/522282468.db2.gz GOTPAFCAIZHLRC-OAHLLOKOSA-N 0 0 484.961 4.519 40 0 JJABRN COc1cc(CN2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc(OC)c1OC ZINC000049155508 522376930 /nfs/dbraw/zinc/37/69/30/522376930.db2.gz SKUWGQPFEAIHQJ-NRFANRHFSA-N 0 0 473.533 4.557 40 0 biogenic,in-vitro JJABRN CC[C@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000022431425 522384038 /nfs/dbraw/zinc/38/40/38/522384038.db2.gz JZIZZRHAUGIHNM-DEOSSOPVSA-N 0 0 496.629 4.783 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000044899876 522534758 /nfs/dbraw/zinc/53/47/58/522534758.db2.gz HLOWYQUMBFTYNS-DEOSSOPVSA-N 0 0 454.567 4.981 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044842851 522669234 /nfs/dbraw/zinc/66/92/34/522669234.db2.gz LYJNXIOROHFXNH-OAQYLSRUSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000020459574 522683306 /nfs/dbraw/zinc/68/33/06/522683306.db2.gz YCHRQVOCDJOKQP-RUZDIDTESA-N 0 0 466.603 4.775 40 0 JJABRN CNc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020503118 522685931 /nfs/dbraw/zinc/68/59/31/522685931.db2.gz YMPWMJVTBZJPPQ-HSZRJFAPSA-N 0 0 493.611 4.936 40 0 JJABRN CCc1nnc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@@H](C)CC5)s1 ZINC000013502542 522763687 /nfs/dbraw/zinc/76/36/87/522763687.db2.gz 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CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495583 523129573 /nfs/dbraw/zinc/12/95/73/523129573.db2.gz SFYNVIPRBUVILD-VWLOTQADSA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501147 523131177 /nfs/dbraw/zinc/13/11/77/523131177.db2.gz KYBSEIOYXZWBAQ-SANMLTNESA-N 0 0 486.620 4.776 40 0 JJABRN COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000007060321 523165111 /nfs/dbraw/zinc/16/51/11/523165111.db2.gz CERNUSNZEQNWHB-IBGZPJMESA-N 0 0 484.574 4.670 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)NC1CCCCC1 ZINC000013502696 523197539 /nfs/dbraw/zinc/19/75/39/523197539.db2.gz XFYGQMNBUALGMW-UHFFFAOYSA-N 0 0 456.641 4.575 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000038754599 523225726 /nfs/dbraw/zinc/22/57/26/523225726.db2.gz VLFDEJLZJPBQAD-MRXNPFEDSA-N 0 0 489.852 4.847 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000016162888 523275732 /nfs/dbraw/zinc/27/57/32/523275732.db2.gz WXXZRDDDQUSQAT-UHFFFAOYSA-N 0 0 485.993 4.736 40 0 JJABRN COc1ccc(/C=C(/C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c2ccccc2)cc1 ZINC000044846882 523379937 /nfs/dbraw/zinc/37/99/37/523379937.db2.gz HSYKJFZAHPAPJH-XQNSMLJCSA-N 0 0 480.586 4.570 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000016226468 523489046 /nfs/dbraw/zinc/48/90/46/523489046.db2.gz IQPXCYMNFARZBX-FARCUNLSSA-N 0 0 485.300 4.965 40 0 JJABRN COCCCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(Cl)c1C)sc1c2CCC1 ZINC000012498440 523496219 /nfs/dbraw/zinc/49/62/19/523496219.db2.gz UHQWWJDJGTWEKW-UHFFFAOYSA-N 0 0 478.039 4.676 40 0 JJABRN CN(c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1)S(C)(=O)=O ZINC000044839580 523637236 /nfs/dbraw/zinc/63/72/36/523637236.db2.gz MHOCKJSNJYGWPZ-UHFFFAOYSA-N 0 0 479.602 4.885 40 0 JJABRN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1c(F)cc(Br)cc1Br ZINC000028222217 523670303 /nfs/dbraw/zinc/67/03/03/523670303.db2.gz WUJYBARWQURQJQ-UHFFFAOYSA-N 0 0 470.140 4.984 40 0 JJABRN COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S ZINC000016807145 523829978 /nfs/dbraw/zinc/82/99/78/523829978.db2.gz FVOHJAMHIVVPLW-UHFFFAOYSA-N 0 0 453.955 4.803 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)N3CCCCC3)cc2c1 ZINC000020448325 523845920 /nfs/dbraw/zinc/84/59/20/523845920.db2.gz FZSRCTZPUZNNRI-UHFFFAOYSA-N 0 0 458.605 4.670 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1C)c1ccc(Cl)cc1 ZINC000020014329 523848266 /nfs/dbraw/zinc/84/82/66/523848266.db2.gz LVNDNXHIXJBYKP-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN COc1ccc(C2=NN(C(C)=O)c3nc(-c4ccc(Cl)cc4)n(C(C)=O)c3S2)cc1OC ZINC000016777714 523877110 /nfs/dbraw/zinc/87/71/10/523877110.db2.gz POEHYICGNVVCBR-UHFFFAOYSA-N 0 0 470.938 4.701 40 0 JJABRN COC(=O)[C@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC ZINC000004805133 523891991 /nfs/dbraw/zinc/89/19/91/523891991.db2.gz APNOGIJKCMMPBE-LIPVVHFDSA-N 0 0 460.611 4.644 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1OC ZINC000020453078 523926426 /nfs/dbraw/zinc/92/64/26/523926426.db2.gz KMDFBZHEXGXVDF-UHFFFAOYSA-N 0 0 468.575 4.693 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCSCc2ccccc2)cc1OC ZINC000013684911 523970914 /nfs/dbraw/zinc/97/09/14/523970914.db2.gz ZNMWLMWMTCRBST-UHFFFAOYSA-N 0 0 478.614 4.938 40 0 JJABRN COc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012477232 523988845 /nfs/dbraw/zinc/98/88/45/523988845.db2.gz WMCRBKBEELIOIF-SANMLTNESA-N 0 0 477.630 4.913 40 0 JJABRN COc1ccc(CN(C)C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020456712 523992805 /nfs/dbraw/zinc/99/28/05/523992805.db2.gz MIMRYZQIMXGGGP-UHFFFAOYSA-N 0 0 496.629 4.681 40 0 JJABRN CCc1ccc(S(=O)(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccc(CC)cc3)c2)cc1 ZINC000016162055 524016682 /nfs/dbraw/zinc/01/66/82/524016682.db2.gz QHNLJPACBPHMJD-UHFFFAOYSA-N 0 0 458.605 4.721 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3O)nc2c1 ZINC000022713686 524060665 /nfs/dbraw/zinc/06/06/65/524060665.db2.gz YZHLJRDECXOCMP-UHFFFAOYSA-N 0 0 477.542 4.907 40 0 JJABRN Cc1cccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCCc4ccc(Cl)cc4)cc23)c1 ZINC000021867151 524130341 /nfs/dbraw/zinc/13/03/41/524130341.db2.gz GCAVHXXPZXLPOS-UHFFFAOYSA-N 0 0 457.921 4.584 40 0 JJABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000016310117 524143033 /nfs/dbraw/zinc/14/30/33/524143033.db2.gz SKAAUVDBKGBUCK-HSZRJFAPSA-N 0 0 497.613 4.560 40 0 JJABRN COc1ccc(Cc2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=S)n2-n2cccc2)cc1 ZINC000016778215 524166862 /nfs/dbraw/zinc/16/68/62/524166862.db2.gz QGMZGBRROHKYNE-UHFFFAOYSA-N 0 0 467.982 4.727 40 0 JJABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C3)cc2n1 ZINC000072341331 524206307 /nfs/dbraw/zinc/20/63/07/524206307.db2.gz ZDYCSTJHSSPMIC-IBGZPJMESA-N 0 0 486.519 4.902 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000020017468 524247479 /nfs/dbraw/zinc/24/74/79/524247479.db2.gz SFXCBJZKUNOBHI-GFCCVEGCSA-N 0 0 494.894 4.546 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000022536506 524247955 /nfs/dbraw/zinc/24/79/55/524247955.db2.gz PBMOSZSGLKJDEL-GOSISDBHSA-N 0 0 479.042 4.552 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000020013170 524314942 /nfs/dbraw/zinc/31/49/42/524314942.db2.gz CZTQOMFEYIKQQM-UHFFFAOYSA-N 0 0 482.446 4.909 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)c(C)c1 ZINC000022539835 524316037 /nfs/dbraw/zinc/31/60/37/524316037.db2.gz UYRVFIBTNPCPKO-QFIPXVFZSA-N 0 0 456.652 4.815 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(F)c(F)c2F)c(C)c1 ZINC000020013372 524316873 /nfs/dbraw/zinc/31/68/73/524316873.db2.gz NCDGTNYMNRZMFW-UHFFFAOYSA-N 0 0 490.547 4.901 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013669843 524318580 /nfs/dbraw/zinc/31/85/80/524318580.db2.gz RIIAQIOEAVIXOZ-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013646318 524319669 /nfs/dbraw/zinc/31/96/69/524319669.db2.gz CZUWSZYXMWUFJY-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C ZINC000022540832 524329358 /nfs/dbraw/zinc/32/93/58/524329358.db2.gz PSLNEPHESHAJTD-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1C ZINC000022537660 524330043 /nfs/dbraw/zinc/33/00/43/524330043.db2.gz GIVQEGBZLGRTKB-HSZRJFAPSA-N 0 0 478.658 4.943 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430623 524363431 /nfs/dbraw/zinc/36/34/31/524363431.db2.gz MKHLLAZQXABUAU-UHFFFAOYSA-N 0 0 450.604 4.774 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000044899798 524375675 /nfs/dbraw/zinc/37/56/75/524375675.db2.gz LLHUHEREXHVASM-HXUWFJFHSA-N 0 0 452.576 4.600 40 0 JJABRN Cc1cccc(CN(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022535799 524382598 /nfs/dbraw/zinc/38/25/98/524382598.db2.gz NDXVBYCPDOSPJE-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000020491271 524407139 /nfs/dbraw/zinc/40/71/39/524407139.db2.gz CDNKXMBZOOUVDX-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)cc1 ZINC000020450804 524422736 /nfs/dbraw/zinc/42/27/36/524422736.db2.gz WVROJDDGFVUCTD-UHFFFAOYSA-N 0 0 466.603 4.678 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020490190 524434192 /nfs/dbraw/zinc/43/41/92/524434192.db2.gz RIZNTEOZIOKCJI-UHFFFAOYSA-N 0 0 458.967 4.730 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)c1C ZINC000012490106 524509122 /nfs/dbraw/zinc/50/91/22/524509122.db2.gz XTKQWBQRKHXZRT-XMMPIXPASA-N 0 0 477.630 4.784 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020450612 524529497 /nfs/dbraw/zinc/52/94/97/524529497.db2.gz LUORIGLLOVJVEX-HSZRJFAPSA-N 0 0 466.603 4.794 40 0 JJABRN COc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000012467935 524625097 /nfs/dbraw/zinc/62/50/97/524625097.db2.gz KJJZKWOUHLHRIM-LIRRHRJNSA-N 0 0 460.412 4.533 40 0 JJABRN COc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000012467930 524625623 /nfs/dbraw/zinc/62/56/23/524625623.db2.gz KJJZKWOUHLHRIM-KUHUBIRLSA-N 0 0 460.412 4.533 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448588 524640267 /nfs/dbraw/zinc/64/02/67/524640267.db2.gz BXMWDVNHKDFNAF-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000013505235 524736908 /nfs/dbraw/zinc/73/69/08/524736908.db2.gz VVLQGTDTSBQSEM-HSZRJFAPSA-N 0 0 465.026 4.656 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@H](c2nnnn2Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000013505268 524737014 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456.995 4.811 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000020454293 524914542 /nfs/dbraw/zinc/91/45/42/524914542.db2.gz AFUMATYIRUUBBJ-AWEZNQCLSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc(OC)c2c(C)cc(N3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)nc12 ZINC000016284018 524920596 /nfs/dbraw/zinc/92/05/96/524920596.db2.gz PAVHHGXDESVGHX-UHFFFAOYSA-N 0 0 460.361 4.830 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000020010233 524946990 /nfs/dbraw/zinc/94/69/90/524946990.db2.gz SUJQDSQGQPFALL-KRWDZBQOSA-N 0 0 479.440 4.650 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535789 524947882 /nfs/dbraw/zinc/94/78/82/524947882.db2.gz QQJMCXOPXMWHQN-INIZCTEOSA-N 0 0 478.948 4.687 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000044899848 524948243 /nfs/dbraw/zinc/94/82/43/524948243.db2.gz CKVKZFDFNPHAQK-HNNXBMFYSA-N 0 0 464.921 4.691 40 0 JJABRN 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ZINC000006074091 525115192 /nfs/dbraw/zinc/11/51/92/525115192.db2.gz HYVJWBPDELDJEO-SANMLTNESA-N 0 0 486.572 4.525 40 0 JJABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006134555 525115906 /nfs/dbraw/zinc/11/59/06/525115906.db2.gz UTYSQHFTYWBSDN-SANMLTNESA-N 0 0 494.588 4.851 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2cccs2)no1 ZINC000006551943 525123726 /nfs/dbraw/zinc/12/37/26/525123726.db2.gz KNBSSVMGTJJRMN-DEOSSOPVSA-N 0 0 480.590 4.597 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020459520 525134053 /nfs/dbraw/zinc/13/40/53/525134053.db2.gz FOHPTQCHANYSDO-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000020482575 525144274 /nfs/dbraw/zinc/14/42/74/525144274.db2.gz HACTZTARPKGYIZ-MRXNPFEDSA-N 0 0 488.993 4.957 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(Cl)cc1 ZINC000020014270 525152851 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YNVDLRAHUSDKND-QNVWVOQGSA-N 0 0 470.569 4.621 40 0 JJABRN COc1ccc([C@@H]2S/C(=C\c3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000005845414 525269935 /nfs/dbraw/zinc/26/99/35/525269935.db2.gz IXMBTSQVXBHARS-QFDNUGPTSA-N 0 0 490.581 4.601 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536842 525301366 /nfs/dbraw/zinc/30/13/66/525301366.db2.gz XUKUDTHEEVHGCT-NRFANRHFSA-N 0 0 466.603 4.977 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000020458112 525313312 /nfs/dbraw/zinc/31/33/12/525313312.db2.gz FAKPVOKXDBJSRF-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC000044843196 525315464 /nfs/dbraw/zinc/31/54/64/525315464.db2.gz VXFOPIAYIWEUIR-INIZCTEOSA-N 0 0 488.993 4.673 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1OC ZINC000020450345 525315542 /nfs/dbraw/zinc/31/55/42/525315542.db2.gz MPHYJXTVKUQSCS-IBGZPJMESA-N 0 0 482.602 4.921 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ZINC000016754283 527186839 /nfs/dbraw/zinc/18/68/39/527186839.db2.gz WYSRSRXADVLRBU-CQSZACIVSA-N 0 0 483.185 4.650 40 0 JJABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000012477080 527300426 /nfs/dbraw/zinc/30/04/26/527300426.db2.gz HRHJGPGOFUHOFK-SANMLTNESA-N 0 0 461.631 4.947 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868255 527345325 /nfs/dbraw/zinc/34/53/25/527345325.db2.gz ISNWELCRICMENS-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000020462583 527386374 /nfs/dbraw/zinc/38/63/74/527386374.db2.gz XOKPKNOGVGOKIX-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1Cl ZINC000022706247 527461057 /nfs/dbraw/zinc/46/10/57/527461057.db2.gz XZGMWRFYIIIWQH-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN O=c1ccc(-c2cc3ccccc3s2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000004237430 527483424 /nfs/dbraw/zinc/48/34/24/527483424.db2.gz FGHHQTCWGIFFMS-FUHWJXTLSA-N 0 0 480.586 4.677 40 0 biogenic,in-vitro JJABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccc2c(c1)OCO2 ZINC000013502429 527514213 /nfs/dbraw/zinc/51/42/13/527514213.db2.gz QOYFVIRYHWOCHJ-RUZDIDTESA-N 0 0 457.530 4.647 40 0 JJABRN Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000008636134 527534043 /nfs/dbraw/zinc/53/40/43/527534043.db2.gz ZGKJULBPOBEQLQ-IEBWSBKVSA-N 0 0 472.408 4.642 40 0 biogenic,in-vitro JJABRN OCc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 ZINC000034772840 527629742 /nfs/dbraw/zinc/62/97/42/527629742.db2.gz GQORJMSKDKEFQC-UHFFFAOYSA-N 0 0 497.952 4.888 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2cc(Cl)cc(Cl)c2)cc1 ZINC000000634663 553720470 /nfs/dbraw/zinc/72/04/70/553720470.db2.gz INLIENHOSRELNG-GCKMJXCFSA-N 0 0 467.418 4.802 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(C(C)=O)c3)nnc2-c2ccc(O)cc2)cc1 ZINC000000650477 553731631 /nfs/dbraw/zinc/73/16/31/553731631.db2.gz PLVBVCIWMCNCMC-UHFFFAOYSA-N 0 0 474.542 4.582 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccccc1 ZINC000000652536 553733437 /nfs/dbraw/zinc/73/34/37/553733437.db2.gz HOKBMWLYUKFJCK-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1)c1ccccc1 ZINC000000665987 553742245 /nfs/dbraw/zinc/74/22/45/553742245.db2.gz GZZYOSSOJBCLBP-SFHVURJKSA-N 0 0 456.995 4.629 40 0 JJABRN O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1OCc1ccccc1)c1ccncc1 ZINC000000669617 553744364 /nfs/dbraw/zinc/74/43/64/553744364.db2.gz KVGHDGTVLAORHH-RUZDIDTESA-N 0 0 450.498 4.572 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000000714209 553767675 /nfs/dbraw/zinc/76/76/75/553767675.db2.gz GUPMGEGMTZQHSL-UHFFFAOYSA-N 0 0 469.376 4.550 40 0 JJABRN CSc1nnc2c(n1)O[C@H](c1cc(Br)c(Br)o1)Nc1ccccc1-2 ZINC000000805189 553784572 /nfs/dbraw/zinc/78/45/72/553784572.db2.gz NQBXRHAJGJSBLB-CYBMUJFWSA-N 0 0 470.146 4.882 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000829963 553790322 /nfs/dbraw/zinc/79/03/22/553790322.db2.gz OECXYPBFNNFILY-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1OC ZINC000000843640 553794517 /nfs/dbraw/zinc/79/45/17/553794517.db2.gz RGDFFBKUWBZCME-IZZNHLLZSA-N 0 0 452.514 4.816 40 0 JJABRN O=C(NC[C@H]1CCCO1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000000845342 553795955 /nfs/dbraw/zinc/79/59/55/553795955.db2.gz SBDMQFLLBZAAAC-LLVKDONJSA-N 0 0 459.255 4.631 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc3nn(-c4cccc(OC)c4)nc3c2)cc(OCC)c1OCC ZINC000000849450 553797757 /nfs/dbraw/zinc/79/77/57/553797757.db2.gz QRRDARLDWIETTH-UHFFFAOYSA-N 0 0 476.533 4.878 40 0 JJABRN CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)cc1 ZINC000000858918 553801407 /nfs/dbraw/zinc/80/14/07/553801407.db2.gz DJIPZEWQFOYGHO-UHFFFAOYSA-N 0 0 469.632 4.797 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)COc1ccccc1C ZINC000000870727 553808717 /nfs/dbraw/zinc/80/87/17/553808717.db2.gz KFFOFQIPFKSDJD-UHFFFAOYSA-N 0 0 452.532 4.730 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2Cl)sc1NC(=O)COc1ccccc1 ZINC000000871497 553809791 /nfs/dbraw/zinc/80/97/91/553809791.db2.gz MCROEGAAGPTNEC-UHFFFAOYSA-N 0 0 458.923 4.766 40 0 JJABRN COc1ccccc1NC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000875009 553811690 /nfs/dbraw/zinc/81/16/90/553811690.db2.gz GYUMFLUQDRMSNU-UHFFFAOYSA-N 0 0 487.581 4.973 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)CSc1nnc3c(C)cc4ccccc4n13)CCCC2 ZINC000000877064 553813251 /nfs/dbraw/zinc/81/32/51/553813251.db2.gz AQEAERXLHNMXHQ-UHFFFAOYSA-N 0 0 466.588 4.649 40 0 JJABRN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000879723 553816125 /nfs/dbraw/zinc/81/61/25/553816125.db2.gz NAFGRZPKNQESOD-HXUWFJFHSA-N 0 0 457.983 4.568 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=S)Nc3ccccc3)cc2c1 ZINC000000880192 553817157 /nfs/dbraw/zinc/81/71/57/553817157.db2.gz FEBRDDHAFYHVPV-UHFFFAOYSA-N 0 0 473.554 4.665 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)NC3CCCCC3)cc12 ZINC000000880571 553817512 /nfs/dbraw/zinc/81/75/12/553817512.db2.gz RKBAIBMJUVEJNU-UHFFFAOYSA-N 0 0 461.562 4.918 40 0 JJABRN O=C(c1ccc(Br)cc1)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000000882187 553819005 /nfs/dbraw/zinc/81/90/05/553819005.db2.gz NBDFMGBYTAGAOX-UHFFFAOYSA-N 0 0 486.435 4.942 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCc3ccccc3)cc2c1 ZINC000000883224 553819990 /nfs/dbraw/zinc/81/99/90/553819990.db2.gz IRICUAPWYZSGPZ-UHFFFAOYSA-N 0 0 461.587 4.639 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=S)Nc2ccccc2)cc1 ZINC000000884356 553822249 /nfs/dbraw/zinc/82/22/49/553822249.db2.gz OBBBRGUADVPFLT-UHFFFAOYSA-N 0 0 459.571 4.945 40 0 JJABRN Cc1cc2cc3c(cc2n2c(SCC(=O)Nc4ccccc4N4CCCCC4)nnc12)OCO3 ZINC000000887075 553825418 /nfs/dbraw/zinc/82/54/18/553825418.db2.gz GKUMYLQMEJFCCO-UHFFFAOYSA-N 0 0 475.574 4.641 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)[C@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000000888237 553826592 /nfs/dbraw/zinc/82/65/92/553826592.db2.gz FUKURBKYOBLMBU-KAYWLYCHSA-N 0 0 486.568 4.668 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)cc2c1 ZINC000000890037 553827304 /nfs/dbraw/zinc/82/73/04/553827304.db2.gz LJDAFFVFJNKHDI-VWLOTQADSA-N 0 0 454.578 4.789 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1 ZINC000000891767 553829430 /nfs/dbraw/zinc/82/94/30/553829430.db2.gz MLPPYSUFXMOHAZ-UHFFFAOYSA-N 0 0 467.978 4.584 40 0 JJABRN COc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895046 553831233 /nfs/dbraw/zinc/83/12/33/553831233.db2.gz SUGVOAYUZRDALA-UHFFFAOYSA-N 0 0 489.597 4.953 40 0 JJABRN COc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1OC ZINC000000895574 553831892 /nfs/dbraw/zinc/83/18/92/553831892.db2.gz WEKBHNBNXZAETF-IBGZPJMESA-N 0 0 488.009 4.577 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000000895570 553831931 /nfs/dbraw/zinc/83/19/31/553831931.db2.gz DGMCQCXQKOEPQL-UHFFFAOYSA-N 0 0 452.963 4.881 40 0 JJABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)[C@@H]2COc3ccccc3O2)c2cccc(O)c2)o1 ZINC000000898125 553833095 /nfs/dbraw/zinc/83/30/95/553833095.db2.gz YPOHITHXLVVHKK-RRPNLBNLSA-N 0 0 498.535 4.524 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(OC)c1 ZINC000000900644 553834611 /nfs/dbraw/zinc/83/46/11/553834611.db2.gz ZKPCIACVGGODFH-UHFFFAOYSA-N 0 0 460.559 4.741 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000901508 553835151 /nfs/dbraw/zinc/83/51/51/553835151.db2.gz GFJRZUBAIRLSCU-RUZDIDTESA-N 0 0 473.602 4.635 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)NC3CCCCC3)n2Cc2ccco2)c1C ZINC000000902859 553836093 /nfs/dbraw/zinc/83/60/93/553836093.db2.gz GEQMOKMXBQLDRN-UHFFFAOYSA-N 0 0 454.596 4.656 40 0 JJABRN COc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1-c1ccccc1 ZINC000000904619 553837177 /nfs/dbraw/zinc/83/71/77/553837177.db2.gz GUWORKPAWQTCJO-UHFFFAOYSA-N 0 0 451.577 4.747 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000905857 553838103 /nfs/dbraw/zinc/83/81/03/553838103.db2.gz FMGHXSBLDFVBOK-NDEPHWFRSA-N 0 0 499.590 4.789 40 0 JJABRN C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000000906495 553838456 /nfs/dbraw/zinc/83/84/56/553838456.db2.gz OIYLAIIBJTZHOM-GOSISDBHSA-N 0 0 495.624 4.584 40 0 JJABRN COc1ccc(CCn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1OC ZINC000000908342 553840550 /nfs/dbraw/zinc/84/05/50/553840550.db2.gz SBQHSXQUGCHWBA-UHFFFAOYSA-N 0 0 460.555 4.631 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl ZINC000000914311 553843773 /nfs/dbraw/zinc/84/37/73/553843773.db2.gz UGECUCMDQACEAT-UHFFFAOYSA-N 0 0 482.005 4.893 40 0 JJABRN Cc1cc(C)c2cc(CN(C3CCCC3)S(=O)(=O)c3c4nsnc4ccc3C)c(=O)[nH]c2c1 ZINC000000914582 553844288 /nfs/dbraw/zinc/84/42/88/553844288.db2.gz GVFVJGAGHAYCQW-UHFFFAOYSA-N 0 0 482.631 4.592 40 0 JJABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000914863 553844835 /nfs/dbraw/zinc/84/48/35/553844835.db2.gz UTMPXQUSPJAVBH-UHFFFAOYSA-N 0 0 492.572 4.878 40 0 JJABRN CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000000916035 553846353 /nfs/dbraw/zinc/84/63/53/553846353.db2.gz CPHCUXDWUCGXSG-UHFFFAOYSA-N 0 0 487.423 4.711 40 0 JJABRN CCn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000000916017 553846458 /nfs/dbraw/zinc/84/64/58/553846458.db2.gz IGGSCXJNFHOLAN-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2Cc2ccccc2)cc1 ZINC000000916303 553847068 /nfs/dbraw/zinc/84/70/68/553847068.db2.gz MQLUMOWPYWTZCU-UHFFFAOYSA-N 0 0 474.586 4.953 40 0 JJABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1)NCc1ccccc1 ZINC000000916355 553847494 /nfs/dbraw/zinc/84/74/94/553847494.db2.gz CHCQJTLFONBPQN-UHFFFAOYSA-N 0 0 479.005 4.967 40 0 JJABRN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccccc1 ZINC000000916459 553847712 /nfs/dbraw/zinc/84/77/12/553847712.db2.gz ZSQNJZYKJASFOQ-WOJBJXKFSA-N 0 0 450.608 4.787 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1 ZINC000000918106 553849413 /nfs/dbraw/zinc/84/94/13/553849413.db2.gz CSUACOBPIRINAQ-UHFFFAOYSA-N 0 0 492.475 4.540 40 0 JJABRN O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919821 553851355 /nfs/dbraw/zinc/85/13/55/553851355.db2.gz KBVCTPHAWGNKEA-VQIMIIECSA-N 0 0 456.428 4.634 40 0 JJABRN COc1cccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c1 ZINC000000920127 553852572 /nfs/dbraw/zinc/85/25/72/553852572.db2.gz OZOJHGHSCNMIPC-QFIPXVFZSA-N 0 0 451.592 4.532 40 0 JJABRN COc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1 ZINC000000920229 553853016 /nfs/dbraw/zinc/85/30/16/553853016.db2.gz CMIKKXQDSDDXRQ-UHFFFAOYSA-N 0 0 479.558 4.546 40 0 JJABRN COc1ccc2cc(CN(C(=S)Nc3ccc(OC)cc3OC)C3CCCC3)c(=O)[nH]c2c1 ZINC000000920178 553853025 /nfs/dbraw/zinc/85/30/25/553853025.db2.gz 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Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(C)c2)o1 ZINC000013150886 555357087 /nfs/dbraw/zinc/35/70/87/555357087.db2.gz STETVTCMECERIM-AREMUKBSSA-N 0 0 492.576 4.745 40 0 JJABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000009665612 555376707 /nfs/dbraw/zinc/37/67/07/555376707.db2.gz VQTGJDDFRGEPBU-UHFFFAOYSA-N 0 0 463.376 4.911 40 0 JJABRN NC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)[C@H]2Oc3ccccc3[C@@H]2O1 ZINC000013410365 555397199 /nfs/dbraw/zinc/39/71/99/555397199.db2.gz GHYPQIOZUXWWCY-ILWGZMRPSA-N 0 0 463.331 4.874 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494523 555405041 /nfs/dbraw/zinc/40/50/41/555405041.db2.gz NQAIVJHASAWFED-NRFANRHFSA-N 0 0 450.612 4.793 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495581 555408496 /nfs/dbraw/zinc/40/84/96/555408496.db2.gz SFYNVIPRBUVILD-RUZDIDTESA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495849 555409911 /nfs/dbraw/zinc/40/99/11/555409911.db2.gz VQUXZRPLTOOJML-SANMLTNESA-N 0 0 496.615 4.969 40 0 JJABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497760 555415114 /nfs/dbraw/zinc/41/51/14/555415114.db2.gz CUSSKCJEIVPATL-DEOSSOPVSA-N 0 0 451.567 4.654 40 0 JJABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1cccnc1)C(=O)Cc1cccs1 ZINC000013497871 555415929 /nfs/dbraw/zinc/41/59/29/555415929.db2.gz KPRYZSTZVAVCBH-AREMUKBSSA-N 0 0 477.630 4.913 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498426 555420487 /nfs/dbraw/zinc/42/04/87/555420487.db2.gz FFNIDFJKHYHXAG-HSZRJFAPSA-N 0 0 462.598 4.825 40 0 JJABRN CC(C)[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013498785 555424869 /nfs/dbraw/zinc/42/48/69/555424869.db2.gz SWLRCSMWWOOXFV-VWLOTQADSA-N 0 0 492.624 4.543 40 0 JJABRN Cc1cc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498844 555425099 /nfs/dbraw/zinc/42/50/99/555425099.db2.gz TYBHDSUOGTXCEE-HSZRJFAPSA-N 0 0 462.598 4.879 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498994 555426776 /nfs/dbraw/zinc/42/67/76/555426776.db2.gz XXJZAQSTKHWHBL-XMMPIXPASA-N 0 0 473.625 4.681 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499011 555427160 /nfs/dbraw/zinc/42/71/60/555427160.db2.gz RIPXTVCAQJJNDV-URXFXBBRSA-N 0 0 480.657 4.655 40 0 JJABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cccc(Cl)c1Cl ZINC000009702744 555427532 /nfs/dbraw/zinc/42/75/32/555427532.db2.gz LQZHRAYQMVOBPU-UHFFFAOYSA-N 0 0 475.328 4.718 40 0 JJABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499128 555428467 /nfs/dbraw/zinc/42/84/67/555428467.db2.gz IEDKJRAHJOMPDJ-UKILVPOCSA-N 0 0 478.641 4.625 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499157 555428830 /nfs/dbraw/zinc/42/88/30/555428830.db2.gz OVYIFUVEUVIILD-SANMLTNESA-N 0 0 497.603 4.567 40 0 JJABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499348 555430958 /nfs/dbraw/zinc/43/09/58/555430958.db2.gz KZMBAFZUHACYIS-ZCYQVOJMSA-N 0 0 494.640 4.551 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(N(C)C)cc4)n21)CC[C@@H](C)C3 ZINC000013499861 555435454 /nfs/dbraw/zinc/43/54/54/555435454.db2.gz PKQMAPNYELQZMQ-CQSZACIVSA-N 0 0 480.663 4.823 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500259 555438641 /nfs/dbraw/zinc/43/86/41/555438641.db2.gz YHOSXKDOMOCYEX-QHCPKHFHSA-N 0 0 478.597 4.661 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500432 555440135 /nfs/dbraw/zinc/44/01/35/555440135.db2.gz CPHKKYVLJLXPNQ-HSZRJFAPSA-N 0 0 462.598 4.961 40 0 JJABRN Cc1cccc2cc(CN(Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500480 555440450 /nfs/dbraw/zinc/44/04/50/555440450.db2.gz CNLMMQHWTACJHD-XMMPIXPASA-N 0 0 488.617 4.925 40 0 JJABRN Cc1cccc2cc(CN(CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c12 ZINC000013500505 555441161 /nfs/dbraw/zinc/44/11/61/555441161.db2.gz PHBUNLYONZYUJO-MHZLTWQESA-N 0 0 496.615 4.906 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500779 555443830 /nfs/dbraw/zinc/44/38/30/555443830.db2.gz XLVKLMSNOOBSDK-AHWVRZQESA-N 0 0 486.620 4.546 40 0 JJABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500878 555444753 /nfs/dbraw/zinc/44/47/53/555444753.db2.gz ZXABNPZDTYUJKL-UKILVPOCSA-N 0 0 478.641 4.851 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501117 555447668 /nfs/dbraw/zinc/44/76/68/555447668.db2.gz JVTKVZGJKVKDIA-VWLOTQADSA-N 0 0 470.621 4.962 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501145 555447796 /nfs/dbraw/zinc/44/77/96/555447796.db2.gz MJCXWTXGTFPNLF-VWLOTQADSA-N 0 0 474.584 4.906 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501154 555448113 /nfs/dbraw/zinc/44/81/13/555448113.db2.gz NLYGXRRALIKAQK-AREMUKBSSA-N 0 0 470.621 4.962 40 0 JJABRN CC(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000013501435 555449611 /nfs/dbraw/zinc/44/96/11/555449611.db2.gz AIUDQYVSDPSLBD-VWLOTQADSA-N 0 0 496.970 4.892 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501692 555450985 /nfs/dbraw/zinc/45/09/85/555450985.db2.gz UTXNTWYWSBCHEO-DEOSSOPVSA-N 0 0 494.617 4.592 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013501786 555451478 /nfs/dbraw/zinc/45/14/78/555451478.db2.gz GGIFCIWJQMJEAI-QHCPKHFHSA-N 0 0 496.608 4.999 40 0 JJABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000013502095 555452770 /nfs/dbraw/zinc/45/27/70/555452770.db2.gz BOGWQOGQRGIENQ-RUZDIDTESA-N 0 0 461.562 4.906 40 0 JJABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccnc1 ZINC000013502103 555452816 /nfs/dbraw/zinc/45/28/16/555452816.db2.gz YUEVCVLAZGPFGW-RUZDIDTESA-N 0 0 458.562 4.712 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502164 555453259 /nfs/dbraw/zinc/45/32/59/555453259.db2.gz LBPAJXHREZZXBI-MHZLTWQESA-N 0 0 485.584 4.951 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)c(OC)c1 ZINC000013502204 555453579 /nfs/dbraw/zinc/45/35/79/555453579.db2.gz CFHXVOKUIRYJEW-VWLOTQADSA-N 0 0 493.629 4.993 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccccn2)c(OC)c1 ZINC000013502208 555453662 /nfs/dbraw/zinc/45/36/62/555453662.db2.gz VEVCAPWVTIHEMH-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502298 555454182 /nfs/dbraw/zinc/45/41/82/555454182.db2.gz BUZKRUKXTWHMJB-RUZDIDTESA-N 0 0 489.547 4.844 40 0 JJABRN O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502410 555454898 /nfs/dbraw/zinc/45/48/98/555454898.db2.gz XSQFPWASDOMIEO-SANMLTNESA-N 0 0 471.557 4.643 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502411 555455248 /nfs/dbraw/zinc/45/52/48/555455248.db2.gz XSQFPWASDOMIEO-AREMUKBSSA-N 0 0 471.557 4.643 40 0 JJABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n21)CC[C@H](C)C3 ZINC000013502558 555455870 /nfs/dbraw/zinc/45/58/70/555455870.db2.gz SXTOPKDFDOUTKU-NSHDSACASA-N 0 0 458.638 4.775 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)c3ccc4c(c3)OCO4)cc12 ZINC000013502614 555456227 /nfs/dbraw/zinc/45/62/27/555456227.db2.gz QZCLRLWKQRNLKW-UHFFFAOYSA-N 0 0 490.585 4.686 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CCc3ccccc3)CC(=O)NC(C)(C)C)cc12 ZINC000013502629 555456644 /nfs/dbraw/zinc/45/66/44/555456644.db2.gz DPZHAKAAYHPWBU-UHFFFAOYSA-N 0 0 474.630 4.995 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000013503386 555460958 /nfs/dbraw/zinc/46/09/58/555460958.db2.gz GYOYSINJCNQAPH-SANMLTNESA-N 0 0 469.637 4.895 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cccc(C)c2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505719 555467769 /nfs/dbraw/zinc/46/77/69/555467769.db2.gz JHBHTQRYWVLNOF-HHHXNRCGSA-N 0 0 488.588 4.843 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013505807 555468304 /nfs/dbraw/zinc/46/83/04/555468304.db2.gz CPWNWOLVGHUUMR-XMMPIXPASA-N 0 0 489.016 4.784 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 ZINC000013506077 555469616 /nfs/dbraw/zinc/46/96/16/555469616.db2.gz KYUQWGLLAINHFJ-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(Cc1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506120 555469839 /nfs/dbraw/zinc/46/98/39/555469839.db2.gz POMAGKRSCXBUKO-QHCPKHFHSA-N 0 0 499.633 4.507 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506104 555469863 /nfs/dbraw/zinc/46/98/63/555469863.db2.gz RRDUEMVIPPNMHX-QFIPXVFZSA-N 0 0 485.606 4.512 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000013506135 555469875 /nfs/dbraw/zinc/46/98/75/555469875.db2.gz ADRZBJKDIBKSCH-XMMPIXPASA-N 0 0 495.670 4.990 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1C ZINC000013506138 555470140 /nfs/dbraw/zinc/47/01/40/555470140.db2.gz VNWCNLNGNXYENP-DEOSSOPVSA-N 0 0 495.670 4.990 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2F)cc1 ZINC000013506226 555470315 /nfs/dbraw/zinc/47/03/15/555470315.db2.gz GATZIAWPWCUZBE-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1F ZINC000013506198 555470338 /nfs/dbraw/zinc/47/03/38/555470338.db2.gz UAKCKWFLNPGMMH-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013506354 555471012 /nfs/dbraw/zinc/47/10/12/555471012.db2.gz AKNFJPRONMKOGK-DEOSSOPVSA-N 0 0 496.032 4.965 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000013506440 555471609 /nfs/dbraw/zinc/47/16/09/555471609.db2.gz LBIWGFPTFCJBRC-RUZDIDTESA-N 0 0 493.629 4.857 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506438 555471673 /nfs/dbraw/zinc/47/16/73/555471673.db2.gz NUPIWMOJUBUKAC-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506467 555471768 /nfs/dbraw/zinc/47/17/68/555471768.db2.gz HTVHWMQIVOIJRQ-VWLOTQADSA-N 0 0 493.604 4.840 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1cccs1 ZINC000013506483 555471786 /nfs/dbraw/zinc/47/17/86/555471786.db2.gz MZXUOTVOVPPDML-VWLOTQADSA-N 0 0 493.629 4.598 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1cccs1 ZINC000013506482 555471807 /nfs/dbraw/zinc/47/18/07/555471807.db2.gz MZXUOTVOVPPDML-RUZDIDTESA-N 0 0 493.629 4.598 40 0 JJABRN O=C(NCC(=O)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F)c1ccco1 ZINC000013506971 555474676 /nfs/dbraw/zinc/47/46/76/555474676.db2.gz KZNSHHATLBUFHS-XMMPIXPASA-N 0 0 497.954 4.635 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013507003 555474806 /nfs/dbraw/zinc/47/48/06/555474806.db2.gz YKHUXBJDFDRJEY-AREMUKBSSA-N 0 0 491.563 4.599 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013507053 555475155 /nfs/dbraw/zinc/47/51/55/555475155.db2.gz KDGBDIUCMSJBQB-SANMLTNESA-N 0 0 491.563 4.544 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000013507720 555476694 /nfs/dbraw/zinc/47/66/94/555476694.db2.gz SSIITABKEPLBCS-DEOSSOPVSA-N 0 0 479.602 4.603 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 ZINC000013507734 555477024 /nfs/dbraw/zinc/47/70/24/555477024.db2.gz SMMFHQLQJFACLV-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN COc1ccc(CNC(=O)CN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)C(C)C)cc1 ZINC000013512735 555483751 /nfs/dbraw/zinc/48/37/51/555483751.db2.gz BARCSEKLPHRWEO-UHFFFAOYSA-N 0 0 476.602 4.571 40 0 JJABRN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013513802 555484869 /nfs/dbraw/zinc/48/48/69/555484869.db2.gz YWWIZTJUVAVILE-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC000009761251 555485551 /nfs/dbraw/zinc/48/55/51/555485551.db2.gz JZCJJHFZYLWCTE-JOCHJYFZSA-N 0 0 477.611 4.647 40 0 JJABRN CCc1nnc(NC(=O)CSc2nc(-c3ccccc3F)nc3c2cnn3-c2ccccc2)s1 ZINC000013561692 555494893 /nfs/dbraw/zinc/49/48/93/555494893.db2.gz QMRJKBUWJVMENR-UHFFFAOYSA-N 0 0 491.577 4.766 40 0 JJABRN FC(F)(F)c1cccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)c1 ZINC000013561846 555495340 /nfs/dbraw/zinc/49/53/40/555495340.db2.gz SAILQTOENAVGSP-QFIPXVFZSA-N 0 0 456.516 4.719 40 0 JJABRN Cc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@H](C)C2)c1C ZINC000013562410 555496785 /nfs/dbraw/zinc/49/67/85/555496785.db2.gz JXKJBRVCMDLRBN-HDICACEKSA-N 0 0 464.635 4.888 40 0 JJABRN CCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(OC)cc4)nn32)CC1 ZINC000013562730 555497385 /nfs/dbraw/zinc/49/73/85/555497385.db2.gz KFMZVQPPPYWVGM-UHFFFAOYSA-N 0 0 456.546 4.851 40 0 JJABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 ZINC000013564958 555500327 /nfs/dbraw/zinc/50/03/27/555500327.db2.gz QDXUDWWIECGMFB-UHFFFAOYSA-N 0 0 478.593 4.885 40 0 JJABRN Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCCCC4)n3)ccc21 ZINC000013564959 555500348 /nfs/dbraw/zinc/50/03/48/555500348.db2.gz WONGDXZTEMFFPR-UHFFFAOYSA-N 0 0 460.603 4.746 40 0 JJABRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)C[C@H](C)O1 ZINC000013565464 555502000 /nfs/dbraw/zinc/50/20/00/555502000.db2.gz IWCLDMDFRDKPRO-HDICACEKSA-N 0 0 455.514 4.997 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019855621 555513072 /nfs/dbraw/zinc/51/30/72/555513072.db2.gz SZEAPKDUWDHDBV-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN COc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000019855786 555513402 /nfs/dbraw/zinc/51/34/02/555513402.db2.gz QMCVYWZUWBXPPB-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000019856221 555514608 /nfs/dbraw/zinc/51/46/08/555514608.db2.gz BUALERSYOXCVAW-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 ZINC000019856295 555514811 /nfs/dbraw/zinc/51/48/11/555514811.db2.gz SEORXXSAJPQILK-UHFFFAOYSA-N 0 0 493.629 4.743 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(C)cc2)cc1 ZINC000019856341 555515130 /nfs/dbraw/zinc/51/51/30/555515130.db2.gz UAHDVBCSAKGJSY-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 ZINC000019856835 555517672 /nfs/dbraw/zinc/51/76/72/555517672.db2.gz OHNJPBFFOBQDFL-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN Cc1cc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)ccc1Br ZINC000019856894 555517948 /nfs/dbraw/zinc/51/79/48/555517948.db2.gz ZLBMFTGVUZWAJF-UHFFFAOYSA-N 0 0 459.365 4.835 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000013580880 555519268 /nfs/dbraw/zinc/51/92/68/555519268.db2.gz LQXMCRYRAZGDHZ-SFHVURJKSA-N 0 0 484.549 4.666 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC ZINC000013581479 555519471 /nfs/dbraw/zinc/51/94/71/555519471.db2.gz JWCWBJDJKAGNPH-UHFFFAOYSA-N 0 0 454.548 4.770 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867958 555522310 /nfs/dbraw/zinc/52/23/10/555522310.db2.gz QUIOASFGUQZVIT-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)ccc1Br ZINC000019868211 555522517 /nfs/dbraw/zinc/52/25/17/555522517.db2.gz WKQQLGAVMBYFOE-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868088 555522541 /nfs/dbraw/zinc/52/25/41/555522541.db2.gz YPYPESLJUXTIIS-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584740 555522620 /nfs/dbraw/zinc/52/26/20/555522620.db2.gz HEMBFSSBECBXFU-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584848 555522662 /nfs/dbraw/zinc/52/26/62/555522662.db2.gz UZOPOSJDANAQPI-UHFFFAOYSA-N 0 0 486.593 4.796 40 0 JJABRN CCN(c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000013585006 555522912 /nfs/dbraw/zinc/52/29/12/555522912.db2.gz AMHREFXRTDEZOI-UHFFFAOYSA-N 0 0 492.641 4.762 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000013584944 555522953 /nfs/dbraw/zinc/52/29/53/555522953.db2.gz VJHCVLSVOZPPKM-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000019868630 555523026 /nfs/dbraw/zinc/52/30/26/555523026.db2.gz BGQSOIRGJCQHGM-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1 ZINC000013585124 555523122 /nfs/dbraw/zinc/52/31/22/555523122.db2.gz SOMUOHLGUGVNQK-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868701 555523374 /nfs/dbraw/zinc/52/33/74/555523374.db2.gz NKPMEASSKAFCGT-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000013611835 555534304 /nfs/dbraw/zinc/53/43/04/555534304.db2.gz CKWQJYKYVPMEMX-UHFFFAOYSA-N 0 0 462.903 4.668 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000013631822 555541647 /nfs/dbraw/zinc/54/16/47/555541647.db2.gz BPWKWOZHSMKFSB-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1C ZINC000013632358 555542242 /nfs/dbraw/zinc/54/22/42/555542242.db2.gz KIROYFLRXQXEHB-XMMPIXPASA-N 0 0 464.543 4.791 40 0 JJABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1I ZINC000013632382 555542266 /nfs/dbraw/zinc/54/22/66/555542266.db2.gz TZAIJWOTYFWBFO-UHFFFAOYSA-N 0 0 461.274 4.939 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(-c4ccc(Br)cc4)o3)o2)cc1OC ZINC000019927950 555543195 /nfs/dbraw/zinc/54/31/95/555543195.db2.gz GZCKAPLLAFDMDM-UHFFFAOYSA-N 0 0 475.324 4.859 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000013633392 555543560 /nfs/dbraw/zinc/54/35/60/555543560.db2.gz GYASWZIVDWHPDF-UHFFFAOYSA-N 0 0 470.616 4.886 40 0 JJABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OC)c(OC)c2OC)C1C(=O)OCC ZINC000013634933 555544294 /nfs/dbraw/zinc/54/42/94/555544294.db2.gz NUZIHMGKWBVCEE-NRFANRHFSA-N 0 0 451.523 4.694 40 0 JJABRN COCc1nn2c(nnc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013639471 555546622 /nfs/dbraw/zinc/54/66/22/555546622.db2.gz QAXUUIRDUWOCII-MRXNPFEDSA-N 0 0 478.936 4.521 40 0 JJABRN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929885 555547108 /nfs/dbraw/zinc/54/71/08/555547108.db2.gz GXBWATKXQMEJPO-UHFFFAOYSA-N 0 0 470.616 4.804 40 0 JJABRN CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930203 555547441 /nfs/dbraw/zinc/54/74/41/555547441.db2.gz QBPHOIWURBGBBB-UHFFFAOYSA-N 0 0 474.966 4.790 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)cc1 ZINC000019934518 555552005 /nfs/dbraw/zinc/55/20/05/555552005.db2.gz KOZDPDNTOCOAIR-UHFFFAOYSA-N 0 0 452.576 4.821 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000019934710 555552319 /nfs/dbraw/zinc/55/23/19/555552319.db2.gz FMQLTGKADYPTKS-UHFFFAOYSA-N 0 0 475.614 4.676 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013648671 555553054 /nfs/dbraw/zinc/55/30/54/555553054.db2.gz XHOWRKQWWQOZSH-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2cc(C)ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935891 555553170 /nfs/dbraw/zinc/55/31/70/555553170.db2.gz OOMJVRFMCZZJGJ-DEOSSOPVSA-N 0 0 452.576 4.703 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937892 555554933 /nfs/dbraw/zinc/55/49/33/555554933.db2.gz NUIZLQFQFFQIPM-UHFFFAOYSA-N 0 0 482.455 4.687 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000019938008 555555169 /nfs/dbraw/zinc/55/51/69/555555169.db2.gz HAHCOJUBUAOTCZ-IBGZPJMESA-N 0 0 484.643 4.798 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000019938083 555555774 /nfs/dbraw/zinc/55/57/74/555555774.db2.gz LIHXHWZDICHHTQ-UHFFFAOYSA-N 0 0 478.614 4.828 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccc(Cl)cc2)cc1 ZINC000013668358 555557156 /nfs/dbraw/zinc/55/71/56/555557156.db2.gz ZLZBYFTZKYJQBG-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013668815 555558044 /nfs/dbraw/zinc/55/80/44/555558044.db2.gz RDYNTVLCTQZKIJ-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c(C)c1 ZINC000013668743 555558087 /nfs/dbraw/zinc/55/80/87/555558087.db2.gz XGKJJMMDKXWZAM-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOc1ccccc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013669532 555559630 /nfs/dbraw/zinc/55/96/30/555559630.db2.gz VMEWIILHCSNTPU-UHFFFAOYSA-N 0 0 470.616 4.666 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013669717 555559972 /nfs/dbraw/zinc/55/99/72/555559972.db2.gz KSHSEWIIDBSUNM-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013670669 555561272 /nfs/dbraw/zinc/56/12/72/555561272.db2.gz TUQQZEDYELXLQY-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670705 555561327 /nfs/dbraw/zinc/56/13/27/555561327.db2.gz LGXIXKQZXIANBG-FQEVSTJZSA-N 0 0 464.587 4.567 40 0 JJABRN Cc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013670623 555561350 /nfs/dbraw/zinc/56/13/50/555561350.db2.gz YVWPDERVLKPRMY-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000013670795 555561749 /nfs/dbraw/zinc/56/17/49/555561749.db2.gz CXMIATWXARKDGE-KRWDZBQOSA-N 0 0 485.403 4.622 40 0 JJABRN COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000009886191 555562588 /nfs/dbraw/zinc/56/25/88/555562588.db2.gz FFLGZLBMDSTLQS-UHFFFAOYSA-N 0 0 461.337 4.511 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(C)c1 ZINC000013678180 555569484 /nfs/dbraw/zinc/56/94/84/555569484.db2.gz BKMXJCWQMBWJIP-JOCHJYFZSA-N 0 0 456.951 4.552 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013679401 555571005 /nfs/dbraw/zinc/57/10/05/555571005.db2.gz WWFYPZOGJDTWNA-JOCHJYFZSA-N 0 0 456.951 4.552 40 0 JJABRN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000013679500 555571290 /nfs/dbraw/zinc/57/12/90/555571290.db2.gz CMFOFCPTTMGVQM-AWEZNQCLSA-N 0 0 473.447 4.896 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000013679513 555571293 /nfs/dbraw/zinc/57/12/93/555571293.db2.gz STRNXGVVJAAZPK-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680250 555572550 /nfs/dbraw/zinc/57/25/50/555572550.db2.gz FDAAEOBHYYPFTK-CQSZACIVSA-N 0 0 473.447 4.896 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680474 555572898 /nfs/dbraw/zinc/57/28/98/555572898.db2.gz RONJISJPLRPLFT-IEBWSBKVSA-N 0 0 483.461 4.673 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680905 555573529 /nfs/dbraw/zinc/57/35/29/555573529.db2.gz QLUOVVLMDQXKAL-NRFANRHFSA-N 0 0 477.369 4.730 40 0 JJABRN CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013681129 555574020 /nfs/dbraw/zinc/57/40/20/555574020.db2.gz DNVOTDIWFPDBBE-MRXNPFEDSA-N 0 0 455.407 4.736 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(OC)c1OC ZINC000009973426 555574034 /nfs/dbraw/zinc/57/40/34/555574034.db2.gz RBLYDEXOLINBSA-MHWRWJLKSA-N 0 0 496.585 4.782 40 0 JJABRN CN1C(=O)C(=C(Nc2ccc(F)cc2)SCc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O ZINC000009973685 555574592 /nfs/dbraw/zinc/57/45/92/555574592.db2.gz IYKOPTFUWOGJKG-UHFFFAOYSA-N 0 0 468.337 4.740 40 0 JJABRN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009973720 555574978 /nfs/dbraw/zinc/57/49/78/555574978.db2.gz WAJFHAIODSGHGN-KRWDZBQOSA-N 0 0 473.392 4.642 40 0 JJABRN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013682685 555576202 /nfs/dbraw/zinc/57/62/02/555576202.db2.gz KIYWGYYRXXMPMC-GOSISDBHSA-N 0 0 459.439 4.542 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1 ZINC000019996437 555577097 /nfs/dbraw/zinc/57/70/97/555577097.db2.gz BFLBGKJFPUHIBI-UHFFFAOYSA-N 0 0 487.581 4.819 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2C)cc1 ZINC000013683472 555577312 /nfs/dbraw/zinc/57/73/12/555577312.db2.gz YMEKPIDIUUFVEN-UHFFFAOYSA-N 0 0 477.630 4.683 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974203 555577623 /nfs/dbraw/zinc/57/76/23/555577623.db2.gz SOOOEYWCDXLRPL-GFCCVEGCSA-N 0 0 492.222 4.795 40 0 JJABRN CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004431 555577680 /nfs/dbraw/zinc/57/76/80/555577680.db2.gz BIWDNRDCLQDMBU-XMMPIXPASA-N 0 0 450.604 4.703 40 0 JJABRN CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004440 555578034 /nfs/dbraw/zinc/57/80/34/555578034.db2.gz NGTXUIUIHBBNJG-DEOSSOPVSA-N 0 0 450.604 4.703 40 0 JJABRN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl ZINC000020004691 555578290 /nfs/dbraw/zinc/57/82/90/555578290.db2.gz LEXZSLMGWDPVQZ-QFIPXVFZSA-N 0 0 487.021 4.802 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CCc2ccccc2)c(C)c1 ZINC000020004869 555578873 /nfs/dbraw/zinc/57/88/73/555578873.db2.gz HEXMURVUKPKKMT-BVAGGSTKSA-N 0 0 478.658 4.639 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000020004872 555578878 /nfs/dbraw/zinc/57/88/78/555578878.db2.gz OPOCUGXNJHMQQZ-DEOSSOPVSA-N 0 0 456.652 4.731 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1Cl ZINC000009974674 555579841 /nfs/dbraw/zinc/57/98/41/555579841.db2.gz YOKZIFNEQWQIAH-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1Cl ZINC000009974673 555579889 /nfs/dbraw/zinc/57/98/89/555579889.db2.gz YOKZIFNEQWQIAH-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000009974713 555580231 /nfs/dbraw/zinc/58/02/31/555580231.db2.gz CBTZMRNVKDEOBR-GOSISDBHSA-N 0 0 465.015 4.513 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020006114 555580447 /nfs/dbraw/zinc/58/04/47/555580447.db2.gz ZNYQUCREHSCIJI-QFIPXVFZSA-N 0 0 487.021 4.748 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000020006193 555580781 /nfs/dbraw/zinc/58/07/81/555580781.db2.gz MUKZITKCHQJGHW-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1Cl ZINC000020006472 555581084 /nfs/dbraw/zinc/58/10/84/555581084.db2.gz SDWAMPXAUABDRT-JOCHJYFZSA-N 0 0 487.021 4.802 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000020009101 555584169 /nfs/dbraw/zinc/58/41/69/555584169.db2.gz FFPIDBMHPZPXEI-XMMPIXPASA-N 0 0 480.630 4.964 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009552 555584908 /nfs/dbraw/zinc/58/49/08/555584908.db2.gz XMLROMZRLBKZLQ-NRFANRHFSA-N 0 0 487.021 4.748 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020009699 555585482 /nfs/dbraw/zinc/58/54/82/555585482.db2.gz CHFVMWXHBMTOCS-IBGZPJMESA-N 0 0 497.375 4.669 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000020010092 555585956 /nfs/dbraw/zinc/58/59/56/555585956.db2.gz NHMSNIRLXFEJDO-SFHVURJKSA-N 0 0 487.419 4.517 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020009909 555585996 /nfs/dbraw/zinc/58/59/96/555585996.db2.gz YNHJJMSWNVBWKV-OAQYLSRUSA-N 0 0 487.021 4.802 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010525 555586433 /nfs/dbraw/zinc/58/64/33/555586433.db2.gz XBMDLWQDZFZPNV-LJQANCHMSA-N 0 0 460.665 4.918 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1 ZINC000020010909 555586707 /nfs/dbraw/zinc/58/67/07/555586707.db2.gz IBNFWPFLMDCVOY-UHFFFAOYSA-N 0 0 487.366 4.689 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020010913 555586804 /nfs/dbraw/zinc/58/68/04/555586804.db2.gz WFOUEUDOQCFHTM-UHFFFAOYSA-N 0 0 483.403 4.859 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2c(F)cccc2Cl)cc1 ZINC000020012233 555588441 /nfs/dbraw/zinc/58/84/41/555588441.db2.gz MGFJYBBLQPIEGT-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccc(F)cc2)cc1 ZINC000020012318 555588451 /nfs/dbraw/zinc/58/84/51/555588451.db2.gz ZQWRJVICCAIYPR-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020012446 555588692 /nfs/dbraw/zinc/58/86/92/555588692.db2.gz CBIMIZNGPIXQHN-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccccc1CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012704 555588835 /nfs/dbraw/zinc/58/88/35/555588835.db2.gz KWQQPVFCABWTSH-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2cccc(C)c2)cc1 ZINC000020012619 555588840 /nfs/dbraw/zinc/58/88/40/555588840.db2.gz CWWNLQNMRXDORE-AREMUKBSSA-N 0 0 462.615 4.688 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711394 555588890 /nfs/dbraw/zinc/58/88/90/555588890.db2.gz LYYGEVIMVKWBPV-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccccc2)c(C)c1 ZINC000020012791 555589148 /nfs/dbraw/zinc/58/91/48/555589148.db2.gz RYEXXVRAJLVBAZ-UHFFFAOYSA-N 0 0 476.520 4.859 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc2)c(C)c1 ZINC000020012774 555589184 /nfs/dbraw/zinc/58/91/84/555589184.db2.gz CUVZEMQTVHCMMB-AREMUKBSSA-N 0 0 476.642 4.997 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(F)ccc2F)c(C)c1 ZINC000020013375 555589327 /nfs/dbraw/zinc/58/93/27/555589327.db2.gz FWUCNRJHRGNYIM-UHFFFAOYSA-N 0 0 472.557 4.762 40 0 JJABRN O=C(CNC(=O)c1ccc(Br)o1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010000607 555590021 /nfs/dbraw/zinc/59/00/21/555590021.db2.gz SKAHWCYJTJNBMG-HXUWFJFHSA-N 0 0 476.710 4.593 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000020014144 555590214 /nfs/dbraw/zinc/59/02/14/555590214.db2.gz OGMNIAAQAMVAKX-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712798 555590256 /nfs/dbraw/zinc/59/02/56/555590256.db2.gz SVAZWVZUFMWHID-JOCHJYFZSA-N 0 0 456.995 4.790 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010002707 555590384 /nfs/dbraw/zinc/59/03/84/555590384.db2.gz BRYLMSZFKCSWDU-DEDYPNTBSA-N 0 0 488.452 4.566 40 0 JJABRN CCN(CC(=O)N[C@@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014717 555590836 /nfs/dbraw/zinc/59/08/36/555590836.db2.gz IPDRCTFOTWNLCL-LBPRGKRZSA-N 0 0 494.238 4.644 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713511 555591114 /nfs/dbraw/zinc/59/11/14/555591114.db2.gz KUFOSWBFMKYTJP-HXUWFJFHSA-N 0 0 489.490 4.896 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)cc1Cl ZINC000020015893 555591925 /nfs/dbraw/zinc/59/19/25/555591925.db2.gz ZWNNVSQLQJNYOO-UHFFFAOYSA-N 0 0 494.947 4.847 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714778 555592256 /nfs/dbraw/zinc/59/22/56/555592256.db2.gz LOSXPPRRRJWULU-MRXNPFEDSA-N 0 0 480.211 4.939 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020016065 555592201 /nfs/dbraw/zinc/59/22/01/555592201.db2.gz JKHZYKHBSMYOPR-SECBINFHSA-N 0 0 474.810 4.683 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000010010332 555592549 /nfs/dbraw/zinc/59/25/49/555592549.db2.gz HKECGZICYWAMGQ-UHFFFAOYSA-N 0 0 465.579 4.739 40 0 JJABRN CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715649 555593030 /nfs/dbraw/zinc/59/30/30/555593030.db2.gz OJPGCBIYVXAKNP-MRXNPFEDSA-N 0 0 452.857 4.681 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000010010522 555593107 /nfs/dbraw/zinc/59/31/07/555593107.db2.gz DLQIXPCYNVPHIS-CYBMUJFWSA-N 0 0 470.784 4.721 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716744 555594182 /nfs/dbraw/zinc/59/41/82/555594182.db2.gz BDGDBBCXNYNRDB-DEOSSOPVSA-N 0 0 485.650 4.503 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000020018400 555594507 /nfs/dbraw/zinc/59/45/07/555594507.db2.gz CNMOTVAKECDGRN-HNNXBMFYSA-N 0 0 485.433 4.670 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020019489 555595600 /nfs/dbraw/zinc/59/56/00/555595600.db2.gz MRGAYCHBIUJEHO-UHFFFAOYSA-N 0 0 498.445 4.676 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020022455 555599953 /nfs/dbraw/zinc/59/99/53/555599953.db2.gz DCUCECIIUMVPDN-HSZRJFAPSA-N 0 0 468.550 4.508 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020022363 555600006 /nfs/dbraw/zinc/60/00/06/555600006.db2.gz VJVNTJCQQVSLON-UHFFFAOYSA-N 0 0 482.455 4.971 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000020022385 555600029 /nfs/dbraw/zinc/60/00/29/555600029.db2.gz KDRSNXBENKOPOA-QGZVFWFLSA-N 0 0 488.993 4.714 40 0 JJABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020023649 555601481 /nfs/dbraw/zinc/60/14/81/555601481.db2.gz PVSKDTYONRPOQQ-UHFFFAOYSA-N 0 0 482.446 4.982 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1OC ZINC000020023812 555601740 /nfs/dbraw/zinc/60/17/40/555601740.db2.gz IURVYCUNHLXMQL-VQTJNVASSA-N 0 0 496.629 4.553 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000020023977 555602037 /nfs/dbraw/zinc/60/20/37/555602037.db2.gz CJRGUWJMCGLGEQ-HXUWFJFHSA-N 0 0 482.671 4.740 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000020024647 555602632 /nfs/dbraw/zinc/60/26/32/555602632.db2.gz JKHRSSWJYFQWEX-HXUWFJFHSA-N 0 0 478.614 4.647 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(F)c(F)c1 ZINC000020024685 555602661 /nfs/dbraw/zinc/60/26/61/555602661.db2.gz SMGMEIZARMWYMW-UHFFFAOYSA-N 0 0 456.514 4.678 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000020025189 555603447 /nfs/dbraw/zinc/60/34/47/555603447.db2.gz IVJSOJVBNXQFRR-UHFFFAOYSA-N 0 0 496.482 4.626 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1OC ZINC000010040466 555605376 /nfs/dbraw/zinc/60/53/76/555605376.db2.gz UWBIPJSFORQRCT-RIYZIHGNSA-N 0 0 472.950 4.810 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020034734 555609485 /nfs/dbraw/zinc/60/94/85/555609485.db2.gz BYRSSYSNOSVVOH-RUZDIDTESA-N 0 0 466.603 4.851 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000020040558 555613373 /nfs/dbraw/zinc/61/33/73/555613373.db2.gz USXZZDGWUOVVRN-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020047441 555617879 /nfs/dbraw/zinc/61/78/79/555617879.db2.gz SRDWQVGBZHHZEJ-RUZDIDTESA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020048297 555618149 /nfs/dbraw/zinc/61/81/49/555618149.db2.gz GTFJGIUTZDTWEO-HSZRJFAPSA-N 0 0 452.576 4.543 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020048439 555618155 /nfs/dbraw/zinc/61/81/55/555618155.db2.gz HPFPTCNBSYUVGW-UHFFFAOYSA-N 0 0 460.905 4.927 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000020048737 555618401 /nfs/dbraw/zinc/61/84/01/555618401.db2.gz KXXZYIPVTMLLAL-INIZCTEOSA-N 0 0 499.460 4.811 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010110185 555619617 /nfs/dbraw/zinc/61/96/17/555619617.db2.gz XKGXQYSLCKBNAW-UHFFFAOYSA-N 0 0 450.604 4.754 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cccc(Cl)c2C)cc1 ZINC000010110216 555619623 /nfs/dbraw/zinc/61/96/23/555619623.db2.gz NAFZUBNWOBFPEN-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCCOc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000013788156 555620135 /nfs/dbraw/zinc/62/01/35/555620135.db2.gz HHBJMBDMRPNYGU-ZNZIZOMTSA-N 0 0 472.541 4.844 40 0 JJABRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000013788450 555620147 /nfs/dbraw/zinc/62/01/47/555620147.db2.gz PUMHPEUOOVEBSZ-DSITVLBTSA-N 0 0 492.959 4.794 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 ZINC000010110914 555621181 /nfs/dbraw/zinc/62/11/81/555621181.db2.gz GTDUKVLBEFCTJB-UHFFFAOYSA-N 0 0 494.657 4.900 40 0 JJABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010110958 555621571 /nfs/dbraw/zinc/62/15/71/555621571.db2.gz SHWBGQFQBNMWRO-OAQYLSRUSA-N 0 0 496.629 4.781 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010111043 555621855 /nfs/dbraw/zinc/62/18/55/555621855.db2.gz NDFYDLMYXRPKGD-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl ZINC000010111053 555621869 /nfs/dbraw/zinc/62/18/69/555621869.db2.gz OZHPRSBCDMTWDR-UHFFFAOYSA-N 0 0 479.042 4.522 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010111044 555621903 /nfs/dbraw/zinc/62/19/03/555621903.db2.gz OFUWBOGEDYYMOQ-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000020060970 555623650 /nfs/dbraw/zinc/62/36/50/555623650.db2.gz HQYKFPMJGWKZRP-UHFFFAOYSA-N 0 0 495.881 4.771 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111958 555623851 /nfs/dbraw/zinc/62/38/51/555623851.db2.gz IEFNODHMXVGHKJ-CQSZACIVSA-N 0 0 457.423 4.934 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(C)c1 ZINC000010112377 555625637 /nfs/dbraw/zinc/62/56/37/555625637.db2.gz RRDVILDOBYTPQM-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c(C)c1 ZINC000010112376 555625695 /nfs/dbraw/zinc/62/56/95/555625695.db2.gz CKPGXJZSZBETHZ-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN COC(=O)c1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn21 ZINC000010119234 555629762 /nfs/dbraw/zinc/62/97/62/555629762.db2.gz GVXLWZZAVURBFO-UHFFFAOYSA-N 0 0 462.889 4.876 40 0 JJABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c(OC)c1 ZINC000010120179 555632375 /nfs/dbraw/zinc/63/23/75/555632375.db2.gz CDGXBQUWABFEBF-UHFFFAOYSA-N 0 0 464.474 4.790 40 0 JJABRN COc1cc(-c2nc3cc(NC(=O)c4cncc(Br)c4)ccc3o2)cc(OC)c1OC ZINC000010120238 555632575 /nfs/dbraw/zinc/63/25/75/555632575.db2.gz HEMGXLAPXNMZPM-UHFFFAOYSA-N 0 0 484.306 4.930 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020098325 555632821 /nfs/dbraw/zinc/63/28/21/555632821.db2.gz ALRDNAJHXXHHEE-XMMPIXPASA-N 0 0 498.660 4.888 40 0 JJABRN c1csc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000020098318 555632891 /nfs/dbraw/zinc/63/28/91/555632891.db2.gz IMPGZDABPXUFHX-NRFANRHFSA-N 0 0 465.652 4.761 40 0 aggregator JJABRN COc1cc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)cc(OC)c1OC ZINC000010120289 555632882 /nfs/dbraw/zinc/63/28/82/555632882.db2.gz BWXDREGHXCPELP-UHFFFAOYSA-N 0 0 452.438 4.677 40 0 JJABRN COc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 ZINC000010120276 555632940 /nfs/dbraw/zinc/63/29/40/555632940.db2.gz SQMNFBLVXMMIQA-UHFFFAOYSA-N 0 0 464.474 4.547 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000010128344 555633992 /nfs/dbraw/zinc/63/39/92/555633992.db2.gz AAHYDGKYKCJSMW-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1cc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000010128767 555634610 /nfs/dbraw/zinc/63/46/10/555634610.db2.gz CQOWSAVNVDRZBI-JOCHJYFZSA-N 0 0 456.995 4.794 40 0 JJABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000020104237 555636507 /nfs/dbraw/zinc/63/65/07/555636507.db2.gz YBQJTEDQVPSUCL-HXUWFJFHSA-N 0 0 450.988 4.701 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(OC)cc1 ZINC000020104387 555636767 /nfs/dbraw/zinc/63/67/67/555636767.db2.gz JEIUEEZFUCKBMU-QFIPXVFZSA-N 0 0 465.015 4.794 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccccc1 ZINC000020104954 555637665 /nfs/dbraw/zinc/63/76/65/555637665.db2.gz RRTNYKVTOCAHRM-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000020104979 555637691 /nfs/dbraw/zinc/63/76/91/555637691.db2.gz KFWBGIVIYDXVPD-UHFFFAOYSA-N 0 0 499.460 4.639 40 0 JJABRN O=C(Cn1c2ccccc2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O)c1ccc(Cl)cc1 ZINC000010156768 555637914 /nfs/dbraw/zinc/63/79/14/555637914.db2.gz YEKZVFDNMGLZTF-UHFFFAOYSA-N 0 0 459.716 4.996 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3nnc4c(-c5cccc(Cl)c5)c(C)nn4c3C2)cc(OC)c1OC ZINC000010156912 555638191 /nfs/dbraw/zinc/63/81/91/555638191.db2.gz WERXKBOSPFQASD-HNNXBMFYSA-N 0 0 478.936 4.692 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020105131 555638427 /nfs/dbraw/zinc/63/84/27/555638427.db2.gz KYOBIPUHFVPDLH-DEOSSOPVSA-N 0 0 470.566 4.682 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000020105295 555638690 /nfs/dbraw/zinc/63/86/90/555638690.db2.gz RASSYRRLOHFQSM-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN CN(C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000020106027 555639626 /nfs/dbraw/zinc/63/96/26/555639626.db2.gz XUCLURACVFQCNW-UHFFFAOYSA-N 0 0 455.407 4.980 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000020106250 555640071 /nfs/dbraw/zinc/64/00/71/555640071.db2.gz GWHJUQYUXJDHRI-UHFFFAOYSA-N 0 0 493.412 4.856 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020109118 555644611 /nfs/dbraw/zinc/64/46/11/555644611.db2.gz OPCUZEMEKXOXSY-VWLOTQADSA-N 0 0 484.593 4.996 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1OC ZINC000020110433 555646620 /nfs/dbraw/zinc/64/66/20/555646620.db2.gz OYSGKIJWTSLFSG-IBGZPJMESA-N 0 0 482.602 4.921 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000020110956 555647471 /nfs/dbraw/zinc/64/74/71/555647471.db2.gz YIXGESKTFVPUIW-SJLPKXTDSA-N 0 0 469.434 4.721 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020111486 555648052 /nfs/dbraw/zinc/64/80/52/555648052.db2.gz NGZINYLPZSYCCV-DEOSSOPVSA-N 0 0 452.551 4.599 40 0 JJABRN C[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000020111679 555648572 /nfs/dbraw/zinc/64/85/72/555648572.db2.gz UYEKZAUFSLIYPF-GOSISDBHSA-N 0 0 472.994 4.945 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993751 555668029 /nfs/dbraw/zinc/66/80/29/555668029.db2.gz UHQVAMHZSLLVTN-GOSISDBHSA-N 0 0 454.548 4.601 40 0 JJABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Br)cc1 ZINC000020151964 555669175 /nfs/dbraw/zinc/66/91/75/555669175.db2.gz AJDWMDXDHILCFM-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C ZINC000020152606 555670489 /nfs/dbraw/zinc/67/04/89/555670489.db2.gz ISBPIHAMGWZHLL-UHFFFAOYSA-N 0 0 475.364 4.645 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010276014 555670687 /nfs/dbraw/zinc/67/06/87/555670687.db2.gz QFHDDQKPONEBQD-HZPDHXFCSA-N 0 0 467.031 4.678 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000014019351 555672008 /nfs/dbraw/zinc/67/20/08/555672008.db2.gz VEHLZPDGPSWXLE-QHCPKHFHSA-N 0 0 483.033 4.970 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010280726 555672240 /nfs/dbraw/zinc/67/22/40/555672240.db2.gz NPJVVFWAJSCBAK-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2ccccc2F)cc1 ZINC000010280802 555672310 /nfs/dbraw/zinc/67/23/10/555672310.db2.gz XXEFRTROYFROBC-UHFFFAOYSA-N 0 0 490.597 4.518 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000010282476 555672898 /nfs/dbraw/zinc/67/28/98/555672898.db2.gz UREUVESVGIGUDM-UHFFFAOYSA-N 0 0 493.453 4.728 40 0 JJABRN Nc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1N1CCOCC1 ZINC000020154166 555673385 /nfs/dbraw/zinc/67/33/85/555673385.db2.gz HYNGTGADSSFHRJ-JXMROGBWSA-N 0 0 468.351 4.780 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(C)c3)cc2)cc1 ZINC000014022650 555673654 /nfs/dbraw/zinc/67/36/54/555673654.db2.gz BIDKNAPRFXRDGQ-DEOSSOPVSA-N 0 0 468.575 4.991 40 0 JJABRN COc1ccc(-c2noc(CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000014051498 555674606 /nfs/dbraw/zinc/67/46/06/555674606.db2.gz UQIPQMYFJRIXMP-UHFFFAOYSA-N 0 0 482.584 4.612 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294344 555674664 /nfs/dbraw/zinc/67/46/64/555674664.db2.gz SJUKUEZSOPHJBQ-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294610 555674700 /nfs/dbraw/zinc/67/47/00/555674700.db2.gz DCIHJOHBRPGMOM-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294399 555674728 /nfs/dbraw/zinc/67/47/28/555674728.db2.gz IFYXPWSZCYITEJ-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010295791 555675565 /nfs/dbraw/zinc/67/55/65/555675565.db2.gz IZUXDMZJUAUGLJ-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1cccc(Br)c1 ZINC000010298354 555676333 /nfs/dbraw/zinc/67/63/33/555676333.db2.gz LDVZGIANPKKGAL-INIZCTEOSA-N 0 0 491.136 4.600 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(C)c(Cl)c1 ZINC000010299758 555676682 /nfs/dbraw/zinc/67/66/82/555676682.db2.gz GGDZEEZRUHXTEH-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300231 555677189 /nfs/dbraw/zinc/67/71/89/555677189.db2.gz PWFWEISJVDJPEL-UHFFFAOYSA-N 0 0 490.528 4.515 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000010300483 555677240 /nfs/dbraw/zinc/67/72/40/555677240.db2.gz TUQXSBKMZBMXGR-UHFFFAOYSA-N 0 0 485.433 4.908 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300590 555677617 /nfs/dbraw/zinc/67/76/17/555677617.db2.gz IFMFEUCQVUNNCG-UHFFFAOYSA-N 0 0 474.529 4.678 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000010301068 555677717 /nfs/dbraw/zinc/67/77/17/555677717.db2.gz BPHDATYLTSWMID-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(SC)c1)c1cccc(C)c1 ZINC000010301073 555677780 /nfs/dbraw/zinc/67/77/80/555677780.db2.gz PXMOJNHLHHAPQD-UHFFFAOYSA-N 0 0 470.616 4.868 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Sc2ccccc2)cc1C ZINC000010301486 555678094 /nfs/dbraw/zinc/67/80/94/555678094.db2.gz DFYCSCHAUGSSGN-UHFFFAOYSA-N 0 0 470.616 4.804 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000014069875 555678358 /nfs/dbraw/zinc/67/83/58/555678358.db2.gz XWSSGQXMEKPYBD-UHFFFAOYSA-N 0 0 465.362 4.696 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000010313788 555678858 /nfs/dbraw/zinc/67/88/58/555678858.db2.gz GHILOZYZKWNUTL-UHFFFAOYSA-N 0 0 459.793 4.596 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314501 555680151 /nfs/dbraw/zinc/68/01/51/555680151.db2.gz KAICJSJSLIIZMJ-GOSISDBHSA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314492 555680204 /nfs/dbraw/zinc/68/02/04/555680204.db2.gz XIZILQOWWWVZDM-KRWDZBQOSA-N 0 0 465.575 4.576 40 0 JJABRN O=C(NCCSCc1c(F)cccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314833 555680925 /nfs/dbraw/zinc/68/09/25/555680925.db2.gz SWIDENHTOIGSFF-UHFFFAOYSA-N 0 0 478.998 4.943 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3)cc2C)cc1 ZINC000010315128 555681694 /nfs/dbraw/zinc/68/16/94/555681694.db2.gz APPXVLGWRSGSBE-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)cc1 ZINC000014083130 555682107 /nfs/dbraw/zinc/68/21/07/555682107.db2.gz MYGOWQTUWBTIOA-SVMVAKDDSA-N 0 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ZINC000010332104 555688307 /nfs/dbraw/zinc/68/83/07/555688307.db2.gz IDBFSBOLVZRLPZ-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010334328 555689765 /nfs/dbraw/zinc/68/97/65/555689765.db2.gz PBVDKGONIVSQCF-UHFFFAOYSA-N 0 0 465.575 4.578 40 0 JJABRN Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1NS(=O)(=O)c1ccccc1 ZINC000010334923 555690049 /nfs/dbraw/zinc/69/00/49/555690049.db2.gz JVMXURPOLQHCJY-UHFFFAOYSA-N 0 0 465.575 4.576 40 0 JJABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000014117449 555692715 /nfs/dbraw/zinc/69/27/15/555692715.db2.gz DNUXFUSVYPZGEN-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000014117576 555692725 /nfs/dbraw/zinc/69/27/25/555692725.db2.gz DFIVPYMAEQGHRW-UHFFFAOYSA-N 0 0 460.987 4.887 40 0 JJABRN CCOc1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010338751 555692864 /nfs/dbraw/zinc/69/28/64/555692864.db2.gz GJTVQBBZUYLJFZ-UHFFFAOYSA-N 0 0 458.967 4.957 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010338453 555692872 /nfs/dbraw/zinc/69/28/72/555692872.db2.gz DLTTXUYMSMJNKM-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN Cc1ccc(N(CCCC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000010339092 555693186 /nfs/dbraw/zinc/69/31/86/555693186.db2.gz RAZPPAQPOXYRNC-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3I)o2)cc1C ZINC000020196878 555696183 /nfs/dbraw/zinc/69/61/83/555696183.db2.gz ULJYQLYMJWHLAY-UHFFFAOYSA-N 0 0 479.343 4.613 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010367190 555698235 /nfs/dbraw/zinc/69/82/35/555698235.db2.gz OSSBVTLKYRXKIW-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010367641 555698512 /nfs/dbraw/zinc/69/85/12/555698512.db2.gz NJSVSSTTXBCABD-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN Cc1cccc(CSCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000010367414 555698540 /nfs/dbraw/zinc/69/85/40/555698540.db2.gz MTPXQQUIPZSOKO-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000014135368 555703056 /nfs/dbraw/zinc/70/30/56/555703056.db2.gz ONFOYGFYDRAWLN-UHFFFAOYSA-N 0 0 450.604 4.949 40 0 JJABRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(I)cc1 ZINC000014137214 555704370 /nfs/dbraw/zinc/70/43/70/555704370.db2.gz XCTMQMJCCNNLKK-UHFFFAOYSA-N 0 0 493.292 4.710 40 0 JJABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000010388021 555704720 /nfs/dbraw/zinc/70/47/20/555704720.db2.gz OXOQDIKGEPUQQN-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1Cl ZINC000010433879 555708359 /nfs/dbraw/zinc/70/83/59/555708359.db2.gz IHZZUHUVOWPARZ-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010433927 555708504 /nfs/dbraw/zinc/70/85/04/555708504.db2.gz GTRBIKKIEMGICB-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010434092 555708887 /nfs/dbraw/zinc/70/88/87/555708887.db2.gz UYQUSDDHQVGMOJ-INIZCTEOSA-N 0 0 458.967 4.809 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000010440846 555710583 /nfs/dbraw/zinc/71/05/83/555710583.db2.gz VUYBEZNTSZSERJ-RUZDIDTESA-N 0 0 460.555 4.890 40 0 JJABRN CCc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014153899 555710745 /nfs/dbraw/zinc/71/07/45/555710745.db2.gz VAQJBQCVKXFDAY-UHFFFAOYSA-N 0 0 456.995 4.723 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000010440934 555710783 /nfs/dbraw/zinc/71/07/83/555710783.db2.gz ZVTWAOOABUCHIM-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1C ZINC000010442363 555711301 /nfs/dbraw/zinc/71/13/01/555711301.db2.gz KYGCJTDCVPLZCY-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000010442402 555711347 /nfs/dbraw/zinc/71/13/47/555711347.db2.gz QFCSSEVJQVTPBN-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010442575 555711691 /nfs/dbraw/zinc/71/16/91/555711691.db2.gz PBXGUWLZJAMTOP-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1C ZINC000010443590 555711930 /nfs/dbraw/zinc/71/19/30/555711930.db2.gz OQAWGTWYBAAHPM-UHFFFAOYSA-N 0 0 484.549 4.529 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)c(C)c1 ZINC000014154548 555711932 /nfs/dbraw/zinc/71/19/32/555711932.db2.gz IWLCLKAZJGHFJX-UHFFFAOYSA-N 0 0 458.605 4.669 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000014154818 555712498 /nfs/dbraw/zinc/71/24/98/555712498.db2.gz UJMNJEIOBVILKV-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446607 555713342 /nfs/dbraw/zinc/71/33/42/555713342.db2.gz 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4.618 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000014291326 555793154 /nfs/dbraw/zinc/79/31/54/555793154.db2.gz VITOJKDFJSLSLS-UHFFFAOYSA-N 0 0 464.334 4.738 40 0 JJABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528900 555793569 /nfs/dbraw/zinc/79/35/69/555793569.db2.gz XFMVWFQZNHOAMM-LFIBNONCSA-N 0 0 455.558 4.700 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000014291973 555793685 /nfs/dbraw/zinc/79/36/85/555793685.db2.gz FZFYUXZUGIDRRA-UHFFFAOYSA-N 0 0 486.977 4.520 40 0 JJABRN COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000014372808 555800735 /nfs/dbraw/zinc/80/07/35/555800735.db2.gz QBOBDVKERRCEOC-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000014411386 555810316 /nfs/dbraw/zinc/81/03/16/555810316.db2.gz KCJQYOLLZVVDEG-UHFFFAOYSA-N 0 0 452.576 4.872 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000014413193 555812345 /nfs/dbraw/zinc/81/23/45/555812345.db2.gz WZAYSESXYJZLGS-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C ZINC000014413338 555812619 /nfs/dbraw/zinc/81/26/19/555812619.db2.gz WCRPHGPZFMQSNO-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c(C)c1 ZINC000014413743 555812937 /nfs/dbraw/zinc/81/29/37/555812937.db2.gz XQAGWEZNDMVTTO-UHFFFAOYSA-N 0 0 455.407 4.958 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000014413736 555812992 /nfs/dbraw/zinc/81/29/92/555812992.db2.gz WAVIEJJPLUXXBP-UHFFFAOYSA-N 0 0 455.407 4.958 40 0 JJABRN CCOc1c(Br)cc(C(=O)Nc2ccccc2I)cc1OC ZINC000014429471 555814167 /nfs/dbraw/zinc/81/41/67/555814167.db2.gz BGIBXZSUFYVXAF-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000014608036 555836508 /nfs/dbraw/zinc/83/65/08/555836508.db2.gz CPPZMUWCQVYAIA-XMMPIXPASA-N 0 0 457.486 4.782 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C[C@@H]4C)cc1 ZINC000014671829 555837375 /nfs/dbraw/zinc/83/73/75/555837375.db2.gz KVUJBUPCDJRHMJ-QMTYFTJSSA-N 0 0 464.587 4.737 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000014792722 555839655 /nfs/dbraw/zinc/83/96/55/555839655.db2.gz CJVNJXUKOHLRJN-HXUWFJFHSA-N 0 0 491.613 4.523 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[C@@H](C)C[C@@H]4C)cc3N2)cc1OC ZINC000020601935 555842532 /nfs/dbraw/zinc/84/25/32/555842532.db2.gz SOTLXKIZWFXZKE-KGZPDETFSA-N 0 0 466.504 4.821 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)cc1 ZINC000021579738 555852254 /nfs/dbraw/zinc/85/22/54/555852254.db2.gz WUJHVHANSWQIEW-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c(OC)c1 ZINC000021596080 555854306 /nfs/dbraw/zinc/85/43/06/555854306.db2.gz VDSIKALIBXWTEC-UHFFFAOYSA-N 0 0 465.981 4.932 40 0 JJABRN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000015017229 555858362 /nfs/dbraw/zinc/85/83/62/555858362.db2.gz KXIYTCKJVXACKI-BDYUSTAISA-N 0 0 459.977 4.928 40 0 JJABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)cc(Cl)c1OCc1ccccc1 ZINC000022110991 555878298 /nfs/dbraw/zinc/87/82/98/555878298.db2.gz OJZVXIGKGIZXTL-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000022230177 555889196 /nfs/dbraw/zinc/88/91/96/555889196.db2.gz KFWWVRAEWBPBTG-QFIPXVFZSA-N 0 0 482.627 4.947 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000022231108 555889381 /nfs/dbraw/zinc/88/93/81/555889381.db2.gz COLLVUMIOLCAHN-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000022231251 555889763 /nfs/dbraw/zinc/88/97/63/555889763.db2.gz UDOAGYRIPSGXCQ-UHFFFAOYSA-N 0 0 492.641 4.513 40 0 JJABRN CCOC(=O)Cc1cnc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C(C)(C)C)CC4)s1 ZINC000015277077 555892546 /nfs/dbraw/zinc/89/25/46/555892546.db2.gz JFTCFSQAYOVCTN-ZDUSSCGKSA-N 0 0 472.636 4.844 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000022233583 555893645 /nfs/dbraw/zinc/89/36/45/555893645.db2.gz RAZQZGCIGZYINE-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN COCCCn1c2nnc(SCCOc3ccc(Cl)cc3Cl)n2c2ccccc2c1=O ZINC000012046453 555895383 /nfs/dbraw/zinc/89/53/83/555895383.db2.gz ZOEZBIHZQXUQPY-UHFFFAOYSA-N 0 0 479.389 4.559 40 0 JJABRN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320800 555897930 /nfs/dbraw/zinc/89/79/30/555897930.db2.gz HVFTUFULRVDWHI-QFIPXVFZSA-N 0 0 495.004 4.665 40 0 JJABRN COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000015320981 555898216 /nfs/dbraw/zinc/89/82/16/555898216.db2.gz ZCXUGULPWNUBLU-SJCJKPOMSA-N 0 0 467.743 4.667 40 0 JJABRN Cc1ccc([C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2)cc1 ZINC000015322015 555898681 /nfs/dbraw/zinc/89/86/81/555898681.db2.gz GQUYQCLUXGFBHV-XMMPIXPASA-N 0 0 469.006 4.952 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000022248673 555898981 /nfs/dbraw/zinc/89/89/81/555898981.db2.gz KUQXLWYWZLVTEU-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1C(C)C ZINC000022248981 555899259 /nfs/dbraw/zinc/89/92/59/555899259.db2.gz ISPKBTJKGGXDHS-UHFFFAOYSA-N 0 0 453.004 4.820 40 0 JJABRN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015350510 555899999 /nfs/dbraw/zinc/89/99/99/555899999.db2.gz CWFGNDUXOCOKME-UHFFFAOYSA-N 0 0 492.222 4.795 40 0 JJABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022252726 555900915 /nfs/dbraw/zinc/90/09/15/555900915.db2.gz XOIVJCOZSLGABI-UHFFFAOYSA-N 0 0 481.785 4.702 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253956 555902386 /nfs/dbraw/zinc/90/23/86/555902386.db2.gz OEJYPRPTTUORIU-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN CCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254423 555902944 /nfs/dbraw/zinc/90/29/44/555902944.db2.gz UAYPDLJCDZDAAM-UHFFFAOYSA-N 0 0 486.565 4.624 40 0 JJABRN COc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1OC ZINC000022256270 555904418 /nfs/dbraw/zinc/90/44/18/555904418.db2.gz TWTMGMBUYOOLNC-JOCHJYFZSA-N 0 0 492.620 4.963 40 0 JJABRN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1 ZINC000022257695 555905537 /nfs/dbraw/zinc/90/55/37/555905537.db2.gz CQQNPHWJEDRQJC-UHFFFAOYSA-N 0 0 491.329 4.547 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2CC)cc1C ZINC000022268268 555906989 /nfs/dbraw/zinc/90/69/89/555906989.db2.gz QZZATKDXCNEBBS-XMMPIXPASA-N 0 0 480.630 4.793 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000022268270 555907009 /nfs/dbraw/zinc/90/70/09/555907009.db2.gz UNCAPRKFGITFDX-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)cc1C ZINC000022268657 555907749 /nfs/dbraw/zinc/90/77/49/555907749.db2.gz WUGDWMGKRXGNQW-DEOSSOPVSA-N 0 0 472.651 4.512 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cc1Cl ZINC000022269333 555908099 /nfs/dbraw/zinc/90/80/99/555908099.db2.gz ZPEIJEDFHAOMPO-QHCPKHFHSA-N 0 0 491.053 4.635 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000022269467 555908305 /nfs/dbraw/zinc/90/83/05/555908305.db2.gz PQLCBUYVRUPPNU-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1Cl ZINC000022269473 555908314 /nfs/dbraw/zinc/90/83/14/555908314.db2.gz RICQTKGVEAQIER-QFIPXVFZSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000022269582 555908605 /nfs/dbraw/zinc/90/86/05/555908605.db2.gz ODGDOJHMEKGTPO-NRFANRHFSA-N 0 0 494.947 4.545 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 ZINC000015439236 555909067 /nfs/dbraw/zinc/90/90/67/555909067.db2.gz IMGJDYCOQSGEAS-UHFFFAOYSA-N 0 0 462.980 4.880 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000015439104 555909195 /nfs/dbraw/zinc/90/91/95/555909195.db2.gz BAJMCUWLSXJOMS-HNNXBMFYSA-N 0 0 460.939 4.555 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000022271448 555909269 /nfs/dbraw/zinc/90/92/69/555909269.db2.gz AIPCSXXPHVLKNH-QHCPKHFHSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000022271451 555909329 /nfs/dbraw/zinc/90/93/29/555909329.db2.gz AIPCSXXPHVLKNH-HSZRJFAPSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000022271524 555909504 /nfs/dbraw/zinc/90/95/04/555909504.db2.gz NZGDXIFYXKKJQE-JOCHJYFZSA-N 0 0 492.519 4.632 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(CC)cccc2CC)cc1 ZINC000022271736 555910033 /nfs/dbraw/zinc/91/00/33/555910033.db2.gz QVGBIBXUMYYKFU-VWLOTQADSA-N 0 0 480.630 4.738 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000022271734 555910096 /nfs/dbraw/zinc/91/00/96/555910096.db2.gz DSGUMVFZHJVJQM-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022273833 555910404 /nfs/dbraw/zinc/91/04/04/555910404.db2.gz GKISGFPIRNTPRP-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022275096 555911850 /nfs/dbraw/zinc/91/18/50/555911850.db2.gz SGQSXIXXHKLSKW-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2cccc(C)c2)cc1 ZINC000022275243 555912212 /nfs/dbraw/zinc/91/22/12/555912212.db2.gz HMJWLXKTOOGANV-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 ZINC000022277153 555914629 /nfs/dbraw/zinc/91/46/29/555914629.db2.gz UHEADOGZXOZXIF-UHFFFAOYSA-N 0 0 466.456 4.987 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022278007 555915726 /nfs/dbraw/zinc/91/57/26/555915726.db2.gz JDEUXSJQTXIAOV-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278072 555916019 /nfs/dbraw/zinc/91/60/19/555916019.db2.gz RTAOHWJTEKUFHW-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000022278366 555916229 /nfs/dbraw/zinc/91/62/29/555916229.db2.gz JRRWCSQTIDLULF-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022282066 555917321 /nfs/dbraw/zinc/91/73/21/555917321.db2.gz IRWNYWBTQVQJSU-VWLOTQADSA-N 0 0 466.603 4.775 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000015601034 555918043 /nfs/dbraw/zinc/91/80/43/555918043.db2.gz URONDARXCNFBSU-UHFFFAOYSA-N 0 0 455.274 4.959 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022306902 555919455 /nfs/dbraw/zinc/91/94/55/555919455.db2.gz GHJOTTIGVRLWFH-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312439 555920319 /nfs/dbraw/zinc/92/03/19/555920319.db2.gz QLDRXGDUNLWGSU-HSZRJFAPSA-N 0 0 485.005 4.738 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2cccc(C)c2)cc1 ZINC000022316525 555921068 /nfs/dbraw/zinc/92/10/68/555921068.db2.gz ILBIRJDTEHQHMS-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022322244 555921488 /nfs/dbraw/zinc/92/14/88/555921488.db2.gz NBRPSRYURKVQRO-DEOSSOPVSA-N 0 0 496.629 4.865 40 0 JJABRN COc1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022321455 555921617 /nfs/dbraw/zinc/92/16/17/555921617.db2.gz FBYQWEJNOFTDKW-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022361587 555925701 /nfs/dbraw/zinc/92/57/01/555925701.db2.gz ABWUFKJKONSQMJ-HSZRJFAPSA-N 0 0 472.994 4.811 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022362314 555925930 /nfs/dbraw/zinc/92/59/30/555925930.db2.gz CDVMSNTYIVLOJW-XMMPIXPASA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022365463 555926348 /nfs/dbraw/zinc/92/63/48/555926348.db2.gz JLPIOABHJYMNQE-QGZVFWFLSA-N 0 0 479.813 4.689 40 0 JJABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022373951 555927207 /nfs/dbraw/zinc/92/72/07/555927207.db2.gz FBEGKWWSUKXQLV-HSZRJFAPSA-N 0 0 472.969 4.868 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)c(C)cc1I ZINC000022529225 555931149 /nfs/dbraw/zinc/93/11/49/555931149.db2.gz PDDOHFDXQSFGTN-UHFFFAOYSA-N 0 0 450.301 4.781 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1 ZINC000022524052 555931267 /nfs/dbraw/zinc/93/12/67/555931267.db2.gz VZWJQOMXWGOHLZ-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000012178656 555934371 /nfs/dbraw/zinc/93/43/71/555934371.db2.gz JXZISJKTLMBSPL-UHFFFAOYSA-N 0 0 451.957 4.976 40 0 JJABRN COc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1Br ZINC000022567577 555936524 /nfs/dbraw/zinc/93/65/24/555936524.db2.gz XHLDPBVRANAPJC-UHFFFAOYSA-N 0 0 460.109 4.931 40 0 JJABRN C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000022578671 555939301 /nfs/dbraw/zinc/93/93/01/555939301.db2.gz NDJWWUFHVMGDMB-AWEZNQCLSA-N 0 0 467.308 4.918 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000022705248 555942822 /nfs/dbraw/zinc/94/28/22/555942822.db2.gz BWHSPWYLFHKSGR-UHFFFAOYSA-N 0 0 469.335 4.633 40 0 JJABRN COc1cc(CN(C(=O)c2cc3ccccc3cc2OC)C2CCCCC2)ccc1OCC(N)=O ZINC000022712780 555946606 /nfs/dbraw/zinc/94/66/06/555946606.db2.gz GZPULHJODKWVMP-UHFFFAOYSA-N 0 0 476.573 4.696 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000022713053 555946636 /nfs/dbraw/zinc/94/66/36/555946636.db2.gz BMFXJNJXISMLAQ-UHFFFAOYSA-N 0 0 476.627 4.555 40 0 JJABRN Cc1cc(NC(=O)c2cccc(I)c2)c(C)cc1I ZINC000022713377 555946810 /nfs/dbraw/zinc/94/68/10/555946810.db2.gz XPGOOXBQENDQPD-UHFFFAOYSA-N 0 0 477.083 4.765 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000022713855 555946891 /nfs/dbraw/zinc/94/68/91/555946891.db2.gz UNSHAHLCBNBBDK-UHFFFAOYSA-N 0 0 477.586 4.767 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000022744844 555950418 /nfs/dbraw/zinc/95/04/18/555950418.db2.gz FJNVPMCBFDUKMQ-UHFFFAOYSA-N 0 0 487.006 4.950 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccccc2Br)c(C)cc1I ZINC000022747114 555951448 /nfs/dbraw/zinc/95/14/48/555951448.db2.gz VZQJZJQNOTWXPU-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN Cc1cccc(C)c1-n1c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)n2c2ccccc2c1=O ZINC000012533893 556005838 /nfs/dbraw/zinc/00/58/38/556005838.db2.gz BEGCKTAITNEXOG-IBGZPJMESA-N 0 0 495.608 4.720 40 0 JJABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3c4ccccc4C[C@H]3C)cc2c1 ZINC000012566823 556065366 /nfs/dbraw/zinc/06/53/66/556065366.db2.gz KLFGEBAGGDZLHR-CJAUYULYSA-N 0 0 454.578 4.869 40 0 JJABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccn1 ZINC000015930635 556070136 /nfs/dbraw/zinc/07/01/36/556070136.db2.gz HZOCVTOQROUSEL-UHFFFAOYSA-N 0 0 451.939 4.626 40 0 JJABRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(I)cc3)nc2cc1Cl ZINC000016284290 556132854 /nfs/dbraw/zinc/13/28/54/556132854.db2.gz LSIAQZVMQQCWIO-UHFFFAOYSA-N 0 0 487.775 4.990 40 0 JJABRN Cc1ccccc1OCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3C)cc2s1 ZINC000016363034 556136600 /nfs/dbraw/zinc/13/66/00/556136600.db2.gz RCDCJMBPFIVYOE-UHFFFAOYSA-N 0 0 461.543 4.948 40 0 JJABRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Br)cc2)c1 ZINC000016637077 556148686 /nfs/dbraw/zinc/14/86/86/556148686.db2.gz VHBXQXHOFFTLEF-UHFFFAOYSA-N 0 0 484.803 4.733 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21 ZINC000013023408 556212635 /nfs/dbraw/zinc/21/26/35/556212635.db2.gz UJGYNQNUCGOQMP-AREMUKBSSA-N 0 0 488.636 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013023631 556212933 /nfs/dbraw/zinc/21/29/33/556212933.db2.gz KXKLLPYAIHMLLJ-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013023638 556212964 /nfs/dbraw/zinc/21/29/64/556212964.db2.gz WUUFAWDDLWPESA-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013023751 556213238 /nfs/dbraw/zinc/21/32/38/556213238.db2.gz ZQBIJRGXBOJGSI-DEOSSOPVSA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024290 556214263 /nfs/dbraw/zinc/21/42/63/556214263.db2.gz FIGZKXKZNYDYIA-AREMUKBSSA-N 0 0 487.579 4.958 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024713 556214878 /nfs/dbraw/zinc/21/48/78/556214878.db2.gz XSYQROLFXMAXGK-VWLOTQADSA-N 0 0 491.542 4.789 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025734 556216602 /nfs/dbraw/zinc/21/66/02/556216602.db2.gz QAQADYKICHMNDU-XMMPIXPASA-N 0 0 463.509 4.824 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1 ZINC000013025885 556217268 /nfs/dbraw/zinc/21/72/68/556217268.db2.gz GRCGTRGOEQPQOX-VWLOTQADSA-N 0 0 476.529 4.506 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1OC ZINC000013026290 556218209 /nfs/dbraw/zinc/21/82/09/556218209.db2.gz ZQBLFMIMBYRBQI-HSZRJFAPSA-N 0 0 468.575 4.801 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)cc1 ZINC000013026581 556218945 /nfs/dbraw/zinc/21/89/45/556218945.db2.gz VGUGNPVPHPUEQM-VWLOTQADSA-N 0 0 460.530 4.938 40 0 JJABRN COc1ccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1OC ZINC000013026935 556219881 /nfs/dbraw/zinc/21/98/81/556219881.db2.gz PCEKYRCMOZLDRI-AREMUKBSSA-N 0 0 476.573 4.782 40 0 JJABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013027091 556220153 /nfs/dbraw/zinc/22/01/53/556220153.db2.gz SUYQZGLDKRWOCZ-GOSISDBHSA-N 0 0 488.412 4.868 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1 ZINC000013028629 556222470 /nfs/dbraw/zinc/22/24/70/556222470.db2.gz VPJHPGWHQCAVQT-MUUNZHRXSA-N 0 0 497.599 4.663 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000013028870 556223062 /nfs/dbraw/zinc/22/30/62/556223062.db2.gz XIUXRATUBAZWTO-XMMPIXPASA-N 0 0 475.618 4.744 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000013029408 556223601 /nfs/dbraw/zinc/22/36/01/556223601.db2.gz LQWNYZQVRHYSPW-AREMUKBSSA-N 0 0 487.629 4.889 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccsc2)cc1 ZINC000013029398 556223688 /nfs/dbraw/zinc/22/36/88/556223688.db2.gz NNHWRJWCGROLDE-VWLOTQADSA-N 0 0 473.602 4.635 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013029423 556223692 /nfs/dbraw/zinc/22/36/92/556223692.db2.gz GKOYLFLLCVFKDG-AREMUKBSSA-N 0 0 487.629 4.630 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030105 556224761 /nfs/dbraw/zinc/22/47/61/556224761.db2.gz OXBSQAKXCHLMTF-AREMUKBSSA-N 0 0 489.526 4.543 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030193 556225004 /nfs/dbraw/zinc/22/50/04/556225004.db2.gz ZMYLCNQVJCBWNZ-MUUNZHRXSA-N 0 0 499.590 4.966 40 0 JJABRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031467 556227924 /nfs/dbraw/zinc/22/79/24/556227924.db2.gz UIUOYUKWVVQRAX-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031496 556227999 /nfs/dbraw/zinc/22/79/99/556227999.db2.gz OMRYWOQRWMJALO-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013031661 556228542 /nfs/dbraw/zinc/22/85/42/556228542.db2.gz LVQHBZMKJCEOOW-VWLOTQADSA-N 0 0 493.608 4.564 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)o1 ZINC000013031601 556228716 /nfs/dbraw/zinc/22/87/16/556228716.db2.gz LECQEMMGASXGMM-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1ccc(O)cc1 ZINC000013032386 556231253 /nfs/dbraw/zinc/23/12/53/556231253.db2.gz DOLXDMZMINDXDB-MHZLTWQESA-N 0 0 499.615 4.779 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)C1CCCCC1 ZINC000013032543 556231433 /nfs/dbraw/zinc/23/14/33/556231433.db2.gz AHFWKNSFTURRRZ-QHCPKHFHSA-N 0 0 467.639 4.700 40 0 JJABRN O=C(C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)N1CCCc2ccccc21 ZINC000026109360 556241951 /nfs/dbraw/zinc/24/19/51/556241951.db2.gz XKAYWIHLKXOXOS-UHFFFAOYSA-N 0 0 467.418 4.515 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000026115935 556246076 /nfs/dbraw/zinc/24/60/76/556246076.db2.gz MIOGGODFHDYZEV-UHFFFAOYSA-N 0 0 485.096 4.759 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119219 556248252 /nfs/dbraw/zinc/24/82/52/556248252.db2.gz PHHSPJVFDDMQFY-UHFFFAOYSA-N 0 0 462.637 4.869 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1Cl ZINC000026120080 556248864 /nfs/dbraw/zinc/24/88/64/556248864.db2.gz JLTQXLBPGYMUCC-UHFFFAOYSA-N 0 0 469.028 4.888 40 0 JJABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)ccc1Cl ZINC000026120590 556249111 /nfs/dbraw/zinc/24/91/11/556249111.db2.gz NYUUPVSXZCEODN-UHFFFAOYSA-N 0 0 497.038 4.666 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063889 556261088 /nfs/dbraw/zinc/26/10/88/556261088.db2.gz AEMBHBCPNIXYRT-SANMLTNESA-N 0 0 486.620 4.776 40 0 JJABRN COc1ccc([C@H]2C3SC(=S)N=C3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000017917378 556271380 /nfs/dbraw/zinc/27/13/80/556271380.db2.gz KZZWONTZSGUNAQ-NUJGCVRESA-N 0 0 454.598 4.545 40 0 JJABRN Cc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[nH]3)CC2)c1 ZINC000013083135 556279125 /nfs/dbraw/zinc/27/91/25/556279125.db2.gz QEBXEKQDTAKQGY-UHFFFAOYSA-N 0 0 484.604 4.601 40 0 JJABRN Cc1cccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[nH]3)CC2)c1 ZINC000013083143 556279136 /nfs/dbraw/zinc/27/91/36/556279136.db2.gz NFXZOCIRKCCZLH-UHFFFAOYSA-N 0 0 499.619 4.993 40 0 JJABRN CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013083194 556279141 /nfs/dbraw/zinc/27/91/41/556279141.db2.gz CJLVSPNMMQKMMW-UHFFFAOYSA-N 0 0 491.423 4.958 40 0 JJABRN Cc1cc(C)c(NC(=O)C2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c(C)c1 ZINC000013085925 556285228 /nfs/dbraw/zinc/28/52/28/556285228.db2.gz OHEJYEWGGSLLMB-UHFFFAOYSA-N 0 0 468.605 4.804 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000018099955 556287763 /nfs/dbraw/zinc/28/77/63/556287763.db2.gz WBODFGCOJUDTNL-SGNDLWITSA-N 0 0 478.932 4.717 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)n1c2ccccc2nc1Cc1ccccc1 ZINC000027823329 556308488 /nfs/dbraw/zinc/30/84/88/556308488.db2.gz YUSDIOARIFMISS-UHFFFAOYSA-N 0 0 457.349 4.635 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000028207750 556318210 /nfs/dbraw/zinc/31/82/10/556318210.db2.gz ZEUWLIGNZYHVRL-UHFFFAOYSA-N 0 0 480.630 4.633 40 0 JJABRN CCCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000028208999 556319796 /nfs/dbraw/zinc/31/97/96/556319796.db2.gz HMBSRBSRFCUFFG-UHFFFAOYSA-N 0 0 476.620 4.664 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000028209631 556320746 /nfs/dbraw/zinc/32/07/46/556320746.db2.gz JGJPXHZDCVAEGZ-NRFANRHFSA-N 0 0 484.961 4.759 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019221062 556335337 /nfs/dbraw/zinc/33/53/37/556335337.db2.gz DVPJEVMANUFARS-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1C ZINC000019234216 556336387 /nfs/dbraw/zinc/33/63/87/556336387.db2.gz SVHSZULLDTZTBJ-AREMUKBSSA-N 0 0 468.605 4.784 40 0 JJABRN c1coc(CN(Cc2cccs2)[C@@H](c2nnnn2CCc2ccccc2)c2ccccn2)c1 ZINC000019371445 556346893 /nfs/dbraw/zinc/34/68/93/556346893.db2.gz BDTWTCUTUINKFM-XMMPIXPASA-N 0 0 456.575 4.757 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000029472986 556352265 /nfs/dbraw/zinc/35/22/65/556352265.db2.gz DCSFSKQMJMHDNP-LLVKDONJSA-N 0 0 465.761 4.825 40 0 JJABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000030753443 556372231 /nfs/dbraw/zinc/37/22/31/556372231.db2.gz HMKQXEGKOMQQIW-SFHVURJKSA-N 0 0 456.539 4.958 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000030847983 556376197 /nfs/dbraw/zinc/37/61/97/556376197.db2.gz ZWSOCZVDGLAFGX-PTGBLXJZSA-N 0 0 462.571 4.659 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC ZINC000030861577 556381948 /nfs/dbraw/zinc/38/19/48/556381948.db2.gz IWRXKUBKZNODAC-UHFFFAOYSA-N 0 0 488.993 4.868 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000030867059 556383478 /nfs/dbraw/zinc/38/34/78/556383478.db2.gz WIQPOFVRFPEFSX-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000019817616 556383827 /nfs/dbraw/zinc/38/38/27/556383827.db2.gz YIGBXTTZAIONQO-LJQANCHMSA-N 0 0 454.408 4.765 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1OCC ZINC000030869403 556384529 /nfs/dbraw/zinc/38/45/29/556384529.db2.gz SFORNRWXCQRHRR-UHFFFAOYSA-N 0 0 488.993 4.868 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000030871085 556385131 /nfs/dbraw/zinc/38/51/31/556385131.db2.gz GHADEBAIYMOGEQ-XMMPIXPASA-N 0 0 469.006 4.952 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000019820459 556389671 /nfs/dbraw/zinc/38/96/71/556389671.db2.gz LSHHHDDZPJXADU-RPBOFIJWSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000019820565 556389990 /nfs/dbraw/zinc/38/99/90/556389990.db2.gz IFRSXLBQVYEWIB-UIOOFZCWSA-N 0 0 483.568 4.793 40 0 JJABRN COc1ccc(Cl)cc1-n1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000019821550 556392067 /nfs/dbraw/zinc/39/20/67/556392067.db2.gz VAZUNQBCHONWLL-UHFFFAOYSA-N 0 0 452.301 4.719 40 0 JJABRN Cc1ccccc1C1C(C(=O)NCc2ccccc2)=C(C)NC(C)=C1C(=O)NCc1ccccc1 ZINC000031829955 556408574 /nfs/dbraw/zinc/40/85/74/556408574.db2.gz JKUTXIHRZGUNIP-UHFFFAOYSA-N 0 0 465.597 4.863 40 0 JJABRN Cc1ccc(OCC(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)cc1Cl ZINC000032101457 556416990 /nfs/dbraw/zinc/41/69/90/556416990.db2.gz UQNBOWACALKWNI-SFHVURJKSA-N 0 0 491.691 4.677 40 0 JJABRN O=C(c1ccccc1Br)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101402 556417019 /nfs/dbraw/zinc/41/70/19/556417019.db2.gz DYYFKUPOPIAUAS-MRXNPFEDSA-N 0 0 492.089 4.713 40 0 JJABRN CCOc1cc(/C=C2\NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000032107146 556418427 /nfs/dbraw/zinc/41/84/27/556418427.db2.gz HGKNSZRHQROMAI-HMAPJEAMSA-N 0 0 462.477 4.909 40 0 JJABRN O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(I)cc1 ZINC000032124976 556428372 /nfs/dbraw/zinc/42/83/72/556428372.db2.gz BRWFJIMRTCHKTJ-UHFFFAOYSA-N 0 0 455.093 4.647 40 0 JJABRN Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000032125137 556428822 /nfs/dbraw/zinc/42/88/22/556428822.db2.gz DGRQSGJMTGKNPG-UHFFFAOYSA-N 0 0 481.746 4.928 40 0 JJABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)CC1 ZINC000032125431 556429792 /nfs/dbraw/zinc/42/97/92/556429792.db2.gz UHAWKUYAEBNBGK-UHFFFAOYSA-N 0 0 479.387 4.654 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032126798 556430952 /nfs/dbraw/zinc/43/09/52/556430952.db2.gz HRTNBVAVUTVKNV-UHFFFAOYSA-N 0 0 497.429 4.575 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)nn12 ZINC000032126844 556431211 /nfs/dbraw/zinc/43/12/11/556431211.db2.gz OSYZVDWBMBWNMP-UHFFFAOYSA-N 0 0 458.572 4.750 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000032127420 556431782 /nfs/dbraw/zinc/43/17/82/556431782.db2.gz RDSKKUQHACZKKT-UHFFFAOYSA-N 0 0 457.574 4.823 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(Br)cc1 ZINC000032611887 556450639 /nfs/dbraw/zinc/45/06/39/556450639.db2.gz OYDXRNUHLITSQV-UHFFFAOYSA-N 0 0 489.395 4.620 40 0 JJABRN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)C3CCCCC3)sc2N2CCCCCC2)cc1 ZINC000032634079 556454938 /nfs/dbraw/zinc/45/49/38/556454938.db2.gz RFPJWMQITDQOCD-UHFFFAOYSA-N 0 0 482.693 4.771 40 0 JJABRN COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032639729 556459260 /nfs/dbraw/zinc/45/92/60/556459260.db2.gz VJNAMERQVQBDDJ-FUHWJXTLSA-N 0 0 490.956 4.642 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032639915 556459435 /nfs/dbraw/zinc/45/94/35/556459435.db2.gz NFZBVJHWGDCOFV-NVXWUHKLSA-N 0 0 478.920 4.773 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640551 556463045 /nfs/dbraw/zinc/46/30/45/556463045.db2.gz MVLBSLTWUSRELD-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640519 556463127 /nfs/dbraw/zinc/46/31/27/556463127.db2.gz AHANNOGRVVRKFR-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640524 556463142 /nfs/dbraw/zinc/46/31/42/556463142.db2.gz UJTCGLHXCSJNIT-MJGOQNOKSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640835 556463981 /nfs/dbraw/zinc/46/39/81/556463981.db2.gz GNRQUBMJRCHBLB-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640907 556464617 /nfs/dbraw/zinc/46/46/17/556464617.db2.gz KXWQPWALIRINOZ-IAGOWNOFSA-N 0 0 489.819 4.517 40 0 JJABRN Cc1ccccc1CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000032641016 556465156 /nfs/dbraw/zinc/46/51/56/556465156.db2.gz WGGXCBWBIDNRCW-FUHWJXTLSA-N 0 0 474.957 4.942 40 0 JJABRN Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)cc(Cl)c2)cc1C ZINC000032641115 556465166 /nfs/dbraw/zinc/46/51/66/556465166.db2.gz GWNVDKMBIXFKMI-RTBURBONSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032641196 556465528 /nfs/dbraw/zinc/46/55/28/556465528.db2.gz LXSLOTAZWHSOMU-FUHWJXTLSA-N 0 0 474.957 4.942 40 0 JJABRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)SC1=S ZINC000032751900 556485564 /nfs/dbraw/zinc/48/55/64/556485564.db2.gz BMNUKGAPMRKVTC-UNOMPAQXSA-N 0 0 474.991 4.753 40 0 JJABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c3c(cn(C)c2=O)[C@]2(O)CCC(=O)C[C@H]2O3)CC[C@@H]1C ZINC000257434878 560041833 /nfs/dbraw/zinc/04/18/33/560041833.db2.gz HIEAPHJQEBHMLL-HWBFSBLJSA-N 0 0 471.638 4.962 40 0 biogenic,in-vitro JJABRN C[C@H](O)c1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)onc1-c1ccc(F)cc1 ZINC000225433474 560042886 /nfs/dbraw/zinc/04/28/86/560042886.db2.gz IUGGQXPJROHTFH-AWEZNQCLSA-N 0 0 463.431 4.515 40 0 biogenic,in-vitro JJABRN CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000067890366 560050116 /nfs/dbraw/zinc/05/01/16/560050116.db2.gz WRDSZFPKBUUXTL-IBVKSMDESA-N 0 0 491.611 4.915 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccccn2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111963 560060979 /nfs/dbraw/zinc/06/09/79/560060979.db2.gz SKXUAHMMCMKLNB-UNMCSNQZSA-N 0 0 469.463 4.549 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111967 560061000 /nfs/dbraw/zinc/06/10/00/560061000.db2.gz ZRZDKJGAXNWOFS-HKUYNNGSSA-N 0 0 475.492 4.610 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111964 560061056 /nfs/dbraw/zinc/06/10/56/560061056.db2.gz JYNHVCSWFPENGU-UNMCSNQZSA-N 0 0 469.463 4.549 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccncc4)o3)C[C@H]2C(C)C)cc1 ZINC000035442779 560079589 /nfs/dbraw/zinc/07/95/89/560079589.db2.gz UBLYRLFKCZLFNA-FIXSFTCYSA-N 0 0 460.578 4.967 40 0 biogenic,in-vitro JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000008582848 562940026 /nfs/dbraw/zinc/94/00/26/562940026.db2.gz UIKYCVTWFQKQOZ-UHFFFAOYSA-N 0 0 458.518 4.565 40 0 JJABRN Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000008672640 562949985 /nfs/dbraw/zinc/94/99/85/562949985.db2.gz MCVAKWGRUPQAOJ-XUZZJYLKSA-N 0 0 490.608 4.662 40 0 JJABRN Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCCC4(CCCCC4)C3)c(=O)[nH]c12 ZINC000008674206 562950481 /nfs/dbraw/zinc/95/04/81/562950481.db2.gz FLHFYKNRDBZYFD-QPPBQGQZSA-N 0 0 476.625 4.550 40 0 JJABRN CCc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000008676947 562950539 /nfs/dbraw/zinc/95/05/39/562950539.db2.gz QZBLDOIKPYEGTA-AREMUKBSSA-N 0 0 492.576 4.690 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000008676960 562950549 /nfs/dbraw/zinc/95/05/49/562950549.db2.gz CYDQMNJMSLDSJD-JOCHJYFZSA-N 0 0 454.548 4.805 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)o1 ZINC000038556067 563135017 /nfs/dbraw/zinc/13/50/17/563135017.db2.gz AJBIHCPKMNRYIF-JWQCQUIFSA-N 0 0 478.545 4.540 40 0 JJABRN Cc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000057291989 569595815 /nfs/dbraw/zinc/59/58/15/569595815.db2.gz OLOJANWZWJAHNX-OAHLLOKOSA-N 0 0 485.614 4.658 40 0 JJABRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc2nsnc2c1 ZINC000057312793 569596317 /nfs/dbraw/zinc/59/63/17/569596317.db2.gz FSIRYUNYJGXLKY-UHFFFAOYSA-N 0 0 467.963 4.724 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3)nn12 ZINC000057313046 569596486 /nfs/dbraw/zinc/59/64/86/569596486.db2.gz NXISWJGIKVKYPL-UHFFFAOYSA-N 0 0 486.395 4.974 40 0 JJABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2s1 ZINC000057313631 569596664 /nfs/dbraw/zinc/59/66/64/569596664.db2.gz MZBWSNQOGMWRLT-UHFFFAOYSA-N 0 0 464.572 4.933 40 0 JJABRN COc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1Br ZINC000057314120 569596806 /nfs/dbraw/zinc/59/68/06/569596806.db2.gz CJLGRXLMRJUOTN-UHFFFAOYSA-N 0 0 460.109 4.931 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc2nsnc2c1 ZINC000057313792 569596839 /nfs/dbraw/zinc/59/68/39/569596839.db2.gz YKVVBRLHZLKVAV-UHFFFAOYSA-N 0 0 484.006 4.621 40 0 JJABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000057315612 569597104 /nfs/dbraw/zinc/59/71/04/569597104.db2.gz OYSNNHYHAKCPKK-UHFFFAOYSA-N 0 0 453.764 4.735 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c(OC)c1 ZINC000057316092 569597498 /nfs/dbraw/zinc/59/74/98/569597498.db2.gz OXELSDRKUJKHPB-UHFFFAOYSA-N 0 0 468.922 4.687 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316355 569597650 /nfs/dbraw/zinc/59/76/50/569597650.db2.gz MBCYDAZRTGJUON-UHFFFAOYSA-N 0 0 496.677 4.687 40 0 JJABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000057316647 569598006 /nfs/dbraw/zinc/59/80/06/569598006.db2.gz PYSAIFBBSRBBMJ-FQEVSTJZSA-N 0 0 496.677 4.685 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(O[C@@H](C)CC)c4)c3)nn12 ZINC000057316640 569598012 /nfs/dbraw/zinc/59/80/12/569598012.db2.gz IELLBISNVXGISU-AWEZNQCLSA-N 0 0 480.619 4.719 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000057316848 569598125 /nfs/dbraw/zinc/59/81/25/569598125.db2.gz SOQXBAMDDXMUQI-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000057317101 569598376 /nfs/dbraw/zinc/59/83/76/569598376.db2.gz HTGINWKQBSCXDE-UHFFFAOYSA-N 0 0 451.611 4.831 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1Cl ZINC000057317187 569598460 /nfs/dbraw/zinc/59/84/60/569598460.db2.gz HDPPOSIPGYTCAA-UHFFFAOYSA-N 0 0 493.991 4.962 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057327993 569598821 /nfs/dbraw/zinc/59/88/21/569598821.db2.gz QVOISNORMOYSQF-UHFFFAOYSA-N 0 0 468.538 4.856 40 0 JJABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000057333620 569598956 /nfs/dbraw/zinc/59/89/56/569598956.db2.gz MXJVEJFKFXIAOV-DHZHZOJOSA-N 0 0 466.921 4.875 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000057335627 569599016 /nfs/dbraw/zinc/59/90/16/569599016.db2.gz PDUGOFKJKYCHCH-LLVKDONJSA-N 0 0 451.386 4.530 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=O)C(C)(C)Oc3ccc(Br)cc3)nn12 ZINC000057335652 569599060 /nfs/dbraw/zinc/59/90/60/569599060.db2.gz SVEFASBKWWFDKQ-UHFFFAOYSA-N 0 0 472.368 4.720 40 0 JJABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3O)oc2c(C)c1 ZINC000059294289 569602467 /nfs/dbraw/zinc/60/24/67/569602467.db2.gz FKJBEMXQYGVHON-UHFFFAOYSA-N 0 0 475.555 4.949 40 0 JJABRN O=C(CSc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1)c1ccc(O)cc1 ZINC000059417597 569602780 /nfs/dbraw/zinc/60/27/80/569602780.db2.gz JBVKQGMBGKBCCM-UHFFFAOYSA-N 0 0 456.570 4.778 40 0 JJABRN Cc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000059444091 569603900 /nfs/dbraw/zinc/60/39/00/569603900.db2.gz RMSIEJVIQNYLIR-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN CCC1=NN(C(=O)c2ccc(Br)cc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000059489019 569605562 /nfs/dbraw/zinc/60/55/62/569605562.db2.gz BAVKNWAEDYKSJA-SFHVURJKSA-N 0 0 452.146 4.669 40 0 JJABRN C[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489644 569605757 /nfs/dbraw/zinc/60/57/57/569605757.db2.gz PSWBTLWOAIORME-GFCCVEGCSA-N 0 0 476.630 4.673 40 0 JJABRN O=c1/c(=C\c2cc(Cl)ccc2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059513146 569606332 /nfs/dbraw/zinc/60/63/32/569606332.db2.gz MWMURRQKDFEABH-FJWZAKCXSA-N 0 0 477.010 4.739 40 0 JJABRN Cc1ccccc1CSc1nnc2n1c1cc(C(=O)NCC(C)C)ccc1c(=O)n2CC(C)C ZINC000032986247 569608759 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569628221 /nfs/dbraw/zinc/62/82/21/569628221.db2.gz OTELDHMFGXPQPG-HNNXBMFYSA-N 0 0 462.930 4.536 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000033582859 569628293 /nfs/dbraw/zinc/62/82/93/569628293.db2.gz ICJDJXGHLHQZPI-INIZCTEOSA-N 0 0 472.014 4.790 40 0 JJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3c(F)cc(F)cc3Br)o2)cc1 ZINC000033600492 569628554 /nfs/dbraw/zinc/62/85/54/569628554.db2.gz VNVMKIYKPVHNQP-UHFFFAOYSA-N 0 0 484.322 4.983 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000033622361 569628975 /nfs/dbraw/zinc/62/89/75/569628975.db2.gz ANWNOXQVZPLDBK-UHFFFAOYSA-N 0 0 468.600 4.568 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000033634076 569629336 /nfs/dbraw/zinc/62/93/36/569629336.db2.gz ZALZYPBJTZUZKC-UHFFFAOYSA-N 0 0 460.939 4.557 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)o1 ZINC000033635070 569629353 /nfs/dbraw/zinc/62/93/53/569629353.db2.gz PCVLZOQAFUQIPB-HAHDFKILSA-N 0 0 482.492 4.891 40 0 JJABRN COC(=O)C1=C(C)N=c2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2[C@H]1c1ccccc1 ZINC000033643163 569629449 /nfs/dbraw/zinc/62/94/49/569629449.db2.gz HYTXLABDWMYDKW-CMISJSSVSA-N 0 0 490.584 4.715 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)o1 ZINC000033649740 569629575 /nfs/dbraw/zinc/62/95/75/569629575.db2.gz XWIHBXKUAVHIKC-ODLFYWEKSA-N 0 0 484.867 4.531 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1ccc(F)cc1 ZINC000033654993 569629795 /nfs/dbraw/zinc/62/97/95/569629795.db2.gz KKHAVEOAQQZORY-UHFFFAOYSA-N 0 0 470.566 4.902 40 0 JJABRN CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000033660494 569630113 /nfs/dbraw/zinc/63/01/13/569630113.db2.gz XWOZJOIZIDONHL-LJQANCHMSA-N 0 0 478.062 4.527 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000033668034 569630507 /nfs/dbraw/zinc/63/05/07/569630507.db2.gz MCZRYCZIHIZLDC-UHFFFAOYSA-N 0 0 471.011 4.812 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000033708898 569631270 /nfs/dbraw/zinc/63/12/70/569631270.db2.gz JNQUXHOBRXMVPC-UHFFFAOYSA-N 0 0 451.331 4.812 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000033713877 569631474 /nfs/dbraw/zinc/63/14/74/569631474.db2.gz CLYHQSOZEUBBPH-UHFFFAOYSA-N 0 0 450.988 4.585 40 0 JJABRN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000033714219 569631488 /nfs/dbraw/zinc/63/14/88/569631488.db2.gz UWDIEVQBOPKKGP-GOSISDBHSA-N 0 0 473.392 4.642 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Cl)c1)c1ccccc1 ZINC000033722137 569632047 /nfs/dbraw/zinc/63/20/47/569632047.db2.gz KMGFFOAKGRAQLZ-HNNXBMFYSA-N 0 0 462.930 4.536 40 0 JJABRN CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C ZINC000033752207 569633688 /nfs/dbraw/zinc/63/36/88/569633688.db2.gz YXPQVRDVYNOAOT-GOSISDBHSA-N 0 0 459.413 4.997 40 0 JJABRN CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C ZINC000033752206 569633727 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COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)C(C)C)cc1 ZINC000034889931 569669294 /nfs/dbraw/zinc/66/92/94/569669294.db2.gz GFGPXINVELAWCX-QHCPKHFHSA-N 0 0 495.649 4.805 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000034898035 569669714 /nfs/dbraw/zinc/66/97/14/569669714.db2.gz HPXHJGXLCCTJRX-UHFFFAOYSA-N 0 0 450.988 4.585 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC[C@](O)(N(c3ccccc3)C(C)C)N2[C@H]1c1ccccc1 ZINC000035005986 569673670 /nfs/dbraw/zinc/67/36/70/569673670.db2.gz QHOIHUYGATYQCJ-DHLKQENFSA-N 0 0 451.592 4.544 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(Cl)cc1Cl ZINC000035079589 569674342 /nfs/dbraw/zinc/67/43/42/569674342.db2.gz OYDIZOZWPAMKFV-UHFFFAOYSA-N 0 0 477.797 4.839 40 0 JJABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000035104727 569674939 /nfs/dbraw/zinc/67/49/39/569674939.db2.gz XKZBYXFSQAWCHL-HIXWQLQUSA-N 0 0 466.987 4.575 40 0 JJABRN 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CCc1nn2c(nnc3c2ccn(CCc2ccccc2OC)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395898 569825485 /nfs/dbraw/zinc/82/54/85/569825485.db2.gz VHSNRMAYZSOVNJ-UHFFFAOYSA-N 0 0 459.937 4.573 40 0 JJABRN COCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccccc1 ZINC000040396471 569825711 /nfs/dbraw/zinc/82/57/11/569825711.db2.gz PUZIJLUPGPDZLD-UHFFFAOYSA-N 0 0 467.504 4.721 40 0 JJABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397519 569825741 /nfs/dbraw/zinc/82/57/41/569825741.db2.gz SPWOJLASSCKZCP-UHFFFAOYSA-N 0 0 478.339 4.964 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c1 ZINC000040399495 569826698 /nfs/dbraw/zinc/82/66/98/569826698.db2.gz RFOUCZCEJZUGPF-OAHLLOKOSA-N 0 0 472.332 4.502 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399471 569826729 /nfs/dbraw/zinc/82/67/29/569826729.db2.gz XXKODEXPCSNHTG-CQSZACIVSA-N 0 0 478.723 4.538 40 0 JJABRN 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ZINC000107658960 569856921 /nfs/dbraw/zinc/85/69/21/569856921.db2.gz BLEZSHPEWPTBAV-UHFFFAOYSA-N 0 0 485.734 4.649 40 0 JJABRN CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c2ccccc21 ZINC000107654889 569856950 /nfs/dbraw/zinc/85/69/50/569856950.db2.gz HHWVZXZYKPPLGU-JMIUGGIZSA-N 0 0 469.950 4.998 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1CC ZINC000107675987 569856968 /nfs/dbraw/zinc/85/69/68/569856968.db2.gz QLMSDGNHXCPKHZ-INIZCTEOSA-N 0 0 469.586 4.530 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000107734627 569857198 /nfs/dbraw/zinc/85/71/98/569857198.db2.gz KLXSDIIVBAVLPY-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000107748437 569857208 /nfs/dbraw/zinc/85/72/08/569857208.db2.gz GFJPEDPARAZOTJ-CQSZACIVSA-N 0 0 492.432 4.504 40 0 JJABRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3F)C2=O)CC1 ZINC000107794462 569857409 /nfs/dbraw/zinc/85/74/09/569857409.db2.gz CTCXGHAWQMFJMT-HYARGMPZSA-N 0 0 468.550 4.700 40 0 JJABRN O=c1/c(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)sc2nc3ccccc3n12 ZINC000107919310 569857920 /nfs/dbraw/zinc/85/79/20/569857920.db2.gz GCVWBUSDVVODFJ-MTJSOVHGSA-N 0 0 481.346 4.938 40 0 JJABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1CC ZINC000107914303 569857921 /nfs/dbraw/zinc/85/79/21/569857921.db2.gz ZNGDBDRKEVATNJ-SFHVURJKSA-N 0 0 454.596 4.554 40 0 JJABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000107940217 569858047 /nfs/dbraw/zinc/85/80/47/569858047.db2.gz USELAFTYHRONJE-UHFFFAOYSA-N 0 0 478.492 4.510 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000108047621 569858401 /nfs/dbraw/zinc/85/84/01/569858401.db2.gz MJLNJBKYAOLPMS-HSZRJFAPSA-N 0 0 463.559 4.780 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2ccc(OC)cc2)C(C)C)n1C ZINC000108044829 569858438 /nfs/dbraw/zinc/85/84/38/569858438.db2.gz XRCHYXHFWSNQKG-JOCHJYFZSA-N 0 0 495.649 4.552 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000108257025 569859303 /nfs/dbraw/zinc/85/93/03/569859303.db2.gz VIDKCXDKPLIRJB-QFIPXVFZSA-N 0 0 467.522 4.611 40 0 JJABRN COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2OC)cc1 ZINC000111454299 569860921 /nfs/dbraw/zinc/86/09/21/569860921.db2.gz WARLRWMOBIDLLW-MOSHPQCFSA-N 0 0 463.873 4.921 40 0 JJABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1C ZINC000111880605 569861022 /nfs/dbraw/zinc/86/10/22/569861022.db2.gz ORXITGCQSRQRBF-HXUWFJFHSA-N 0 0 458.514 4.631 40 0 JJABRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 ZINC000111991658 569861161 /nfs/dbraw/zinc/86/11/61/569861161.db2.gz XYPGDRHWSVLDMD-IRXDYDNUSA-N 0 0 477.319 4.548 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000113832592 569862091 /nfs/dbraw/zinc/86/20/91/569862091.db2.gz VCRJYRTWLMWNGB-RCCKNPSSSA-N 0 0 467.524 4.704 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2)cc1 ZINC000113936620 569862393 /nfs/dbraw/zinc/86/23/93/569862393.db2.gz PWMJWCJRKOKWCY-IBGZPJMESA-N 0 0 452.576 4.628 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000113937099 569862421 /nfs/dbraw/zinc/86/24/21/569862421.db2.gz JBMJWHMOZXSFCK-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000113937468 569862439 /nfs/dbraw/zinc/86/24/39/569862439.db2.gz GNAUPKBFVJNUAO-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1 ZINC000113938214 569862524 /nfs/dbraw/zinc/86/25/24/569862524.db2.gz NRTKOZRYCZGUTA-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000113938292 569862529 /nfs/dbraw/zinc/86/25/29/569862529.db2.gz GHUQYQAYNKETNS-UHFFFAOYSA-N 0 0 498.601 4.553 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000113940437 569862540 /nfs/dbraw/zinc/86/25/40/569862540.db2.gz 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CCc1ccc(N(CC(=O)n2cc(C(=O)OC)c3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000222586978 569886400 /nfs/dbraw/zinc/88/64/00/569886400.db2.gz ZCIDZUOQSBBVQU-UHFFFAOYSA-N 0 0 476.554 4.526 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000222589844 569886439 /nfs/dbraw/zinc/88/64/39/569886439.db2.gz BRCQVPYKSFTAQG-UHFFFAOYSA-N 0 0 460.665 4.797 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000222600051 569886668 /nfs/dbraw/zinc/88/66/68/569886668.db2.gz MPPWSKXOLPVULX-UHFFFAOYSA-N 0 0 474.932 4.709 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222602308 569886716 /nfs/dbraw/zinc/88/67/16/569886716.db2.gz JPBWIOSMNPBZGQ-CVDCTZTESA-N 0 0 489.454 4.901 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222602239 569886741 /nfs/dbraw/zinc/88/67/41/569886741.db2.gz JPBWIOSMNPBZGQ-XXBNENTESA-N 0 0 489.454 4.901 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)ccc1C ZINC000222633510 569887423 /nfs/dbraw/zinc/88/74/23/569887423.db2.gz FNJMXHJRGNRUHA-RUZDIDTESA-N 0 0 493.445 4.995 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCc1ccccc1 ZINC000222646874 569887728 /nfs/dbraw/zinc/88/77/28/569887728.db2.gz NVIXDBNWHBKPIS-XMMPIXPASA-N 0 0 479.418 4.768 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222647139 569887742 /nfs/dbraw/zinc/88/77/42/569887742.db2.gz GZIVIZQLAWYHSP-HSZRJFAPSA-N 0 0 472.601 4.888 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC ZINC000222656628 569887833 /nfs/dbraw/zinc/88/78/33/569887833.db2.gz AHENBAWYLKZHTH-IBGZPJMESA-N 0 0 467.393 4.713 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222661604 569887912 /nfs/dbraw/zinc/88/79/12/569887912.db2.gz MTLVOFOBWHKXSD-OAHLLOKOSA-N 0 0 481.818 4.813 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)c1 ZINC000222687189 569888541 /nfs/dbraw/zinc/88/85/41/569888541.db2.gz IVKOXSVWDZQXHL-UHFFFAOYSA-N 0 0 467.572 4.731 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222693192 569888724 /nfs/dbraw/zinc/88/87/24/569888724.db2.gz MGXFVOUOJTVPCZ-RUZDIDTESA-N 0 0 493.445 4.995 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)c1 ZINC000222693910 569888781 /nfs/dbraw/zinc/88/87/81/569888781.db2.gz PBFSYWCCUXEWLJ-UHFFFAOYSA-N 0 0 467.572 4.731 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222696023 569888813 /nfs/dbraw/zinc/88/88/13/569888813.db2.gz YSLXERWNRNMEAG-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1 ZINC000222704249 569889054 /nfs/dbraw/zinc/88/90/54/569889054.db2.gz XCAWSDJUTDZTIG-UHFFFAOYSA-N 0 0 483.571 4.513 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000222711373 569889256 /nfs/dbraw/zinc/88/92/56/569889256.db2.gz JPOQSVDCRUCLDC-SFHVURJKSA-N 0 0 492.947 4.709 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000222716236 569889409 /nfs/dbraw/zinc/88/94/09/569889409.db2.gz TXERHPAUZKUFPF-GOSISDBHSA-N 0 0 454.567 4.845 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222716633 569889420 /nfs/dbraw/zinc/88/94/20/569889420.db2.gz PBRZUVHXFGCXGF-CYBMUJFWSA-N 0 0 488.209 4.606 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)cc1OCC ZINC000222721983 569889528 /nfs/dbraw/zinc/88/95/28/569889528.db2.gz VHXSIWSIRVCNMW-MRXNPFEDSA-N 0 0 481.420 4.887 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222725660 569889634 /nfs/dbraw/zinc/88/96/34/569889634.db2.gz BLSTZYRJSNTQJT-FQEVSTJZSA-N 0 0 480.992 4.504 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000222731197 569889754 /nfs/dbraw/zinc/88/97/54/569889754.db2.gz RYVVIZHVNKMAJI-NSHDSACASA-N 0 0 464.176 4.842 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2C)cc1 ZINC000222732417 569889776 /nfs/dbraw/zinc/88/97/76/569889776.db2.gz ZMVNHSLJZRFWFI-UHFFFAOYSA-N 0 0 476.520 4.834 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735555 569889841 /nfs/dbraw/zinc/88/98/41/569889841.db2.gz CEJBKBMVWNJJCT-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222743912 569890071 /nfs/dbraw/zinc/89/00/71/569890071.db2.gz XECGODCWXLXSQY-MHZLTWQESA-N 0 0 476.592 4.789 40 0 JJABRN CN([C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1)S(C)(=O)=O ZINC000222747488 569890119 /nfs/dbraw/zinc/89/01/19/569890119.db2.gz BATNLQSRDUMVRA-XMMPIXPASA-N 0 0 493.629 4.808 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222750143 569890186 /nfs/dbraw/zinc/89/01/86/569890186.db2.gz FVQFRIAEVPMXOX-IBGZPJMESA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222750213 569890206 /nfs/dbraw/zinc/89/02/06/569890206.db2.gz FVQFRIAEVPMXOX-LJQANCHMSA-N 0 0 455.357 4.843 40 0 JJABRN Cc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1C ZINC000222765912 569890560 /nfs/dbraw/zinc/89/05/60/569890560.db2.gz AGIGCHFLRBXSHU-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN COc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222765997 569890591 /nfs/dbraw/zinc/89/05/91/569890591.db2.gz UHMNAQFDPLOIPN-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222778942 569890842 /nfs/dbraw/zinc/89/08/42/569890842.db2.gz MMMGRYOFGNRMEB-UHFFFAOYSA-N 0 0 486.593 4.595 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000222779681 569890854 /nfs/dbraw/zinc/89/08/54/569890854.db2.gz AAQJMRVOEDQSPH-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc4ccccc4c3)Oc3cc(C)ccc32)cc1 ZINC000222798788 569891400 /nfs/dbraw/zinc/89/14/00/569891400.db2.gz QUMLGGQTHIVDNL-MHZLTWQESA-N 0 0 486.593 4.729 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222803212 569891534 /nfs/dbraw/zinc/89/15/34/569891534.db2.gz SWSNVCDUQIWBKR-DEOSSOPVSA-N 0 0 456.652 4.877 40 0 JJABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1C ZINC000222805742 569891574 /nfs/dbraw/zinc/89/15/74/569891574.db2.gz BSHIQBUFKNAJAJ-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000222818327 569891868 /nfs/dbraw/zinc/89/18/68/569891868.db2.gz AOLQUFMRIUDXEV-INIZCTEOSA-N 0 0 488.993 4.957 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000222828145 569892069 /nfs/dbraw/zinc/89/20/69/569892069.db2.gz OTUPVKZZPDTPKH-JLPGSUDCSA-N 0 0 456.571 4.638 40 0 JJABRN CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1OCC ZINC000222834145 569892204 /nfs/dbraw/zinc/89/22/04/569892204.db2.gz SBTDFGLPGIHZQN-JWGURIENSA-N 0 0 464.587 4.941 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccccc2C)cc1 ZINC000222834011 569892239 /nfs/dbraw/zinc/89/22/39/569892239.db2.gz RRPXCGAATFBTJP-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000222839543 569892335 /nfs/dbraw/zinc/89/23/35/569892335.db2.gz CLWSHIBFBOQYOS-RUZDIDTESA-N 0 0 497.060 4.968 40 0 JJABRN Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 ZINC000222837982 569892354 /nfs/dbraw/zinc/89/23/54/569892354.db2.gz OYANGNNLTLDMCA-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN CC(C)Sc1nnc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 ZINC000222840001 569892363 /nfs/dbraw/zinc/89/23/63/569892363.db2.gz JDWSZOHINSLSLJ-UHFFFAOYSA-N 0 0 483.468 4.530 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222852122 569892743 /nfs/dbraw/zinc/89/27/43/569892743.db2.gz XYCXJDNZKUNLRU-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN O=C(NCc1cccc2ccccc21)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000222862558 569892990 /nfs/dbraw/zinc/89/29/90/569892990.db2.gz ZDYCPHVSHDVUKM-RUZDIDTESA-N 0 0 492.984 4.766 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222864058 569893052 /nfs/dbraw/zinc/89/30/52/569893052.db2.gz DLMXYYZFNVJPDH-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222873140 569893172 /nfs/dbraw/zinc/89/31/72/569893172.db2.gz WZPXFPDDNHBPJU-MHZLTWQESA-N 0 0 482.580 4.613 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222873071 569893191 /nfs/dbraw/zinc/89/31/91/569893191.db2.gz WZPXFPDDNHBPJU-HHHXNRCGSA-N 0 0 482.580 4.613 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc4ccccc43)Oc3cc(C)ccc32)cc1 ZINC000222874941 569893252 /nfs/dbraw/zinc/89/32/52/569893252.db2.gz VKXZGNMAUDLAPL-MHZLTWQESA-N 0 0 486.593 4.729 40 0 JJABRN O=C(NCc1cccc2ccccc21)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000222874754 569893270 /nfs/dbraw/zinc/89/32/70/569893270.db2.gz 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CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222932935 569894785 /nfs/dbraw/zinc/89/47/85/569894785.db2.gz ZSOKMWOKRYNDMN-JOCHJYFZSA-N 0 0 475.427 4.511 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222938338 569894995 /nfs/dbraw/zinc/89/49/95/569894995.db2.gz ZSTAJARZCQCJRA-HUUCEWRRSA-N 0 0 469.434 4.904 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222944985 569895128 /nfs/dbraw/zinc/89/51/28/569895128.db2.gz WEFPQKNTTMXFTH-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000222954255 569895352 /nfs/dbraw/zinc/89/53/52/569895352.db2.gz IGYFNYMPKPPSPY-DCFHFQCYSA-N 0 0 490.625 4.540 40 0 JJABRN CCCSc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000222967335 569895709 /nfs/dbraw/zinc/89/57/09/569895709.db2.gz AOWYTTNIDYFLDO-UHFFFAOYSA-N 0 0 497.067 4.836 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Br)cc1 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ZINC000223121766 569900103 /nfs/dbraw/zinc/90/01/03/569900103.db2.gz HJWQDTJWWLJNSU-RUZDIDTESA-N 0 0 464.606 4.835 40 0 JJABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223133627 569900592 /nfs/dbraw/zinc/90/05/92/569900592.db2.gz AVYCZXCBSGEZTR-XMMPIXPASA-N 0 0 493.003 4.981 40 0 JJABRN CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223135789 569900660 /nfs/dbraw/zinc/90/06/60/569900660.db2.gz QRZPJBAWZKMBEN-AREMUKBSSA-N 0 0 498.689 4.949 40 0 JJABRN CCCSc1nnc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)s1 ZINC000223137122 569900697 /nfs/dbraw/zinc/90/06/97/569900697.db2.gz FKINGVAHYSMKFP-UHFFFAOYSA-N 0 0 476.649 4.567 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000223145769 569901079 /nfs/dbraw/zinc/90/10/79/569901079.db2.gz ONAZLAMFKJEMAE-AREMUKBSSA-N 0 0 495.019 4.512 40 0 JJABRN COc1cccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223148917 569901177 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CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000223201850 569903281 /nfs/dbraw/zinc/90/32/81/569903281.db2.gz BLZHVGHDUFLQNP-QHCPKHFHSA-N 0 0 486.634 4.545 40 0 JJABRN C[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223202150 569903287 /nfs/dbraw/zinc/90/32/87/569903287.db2.gz QIWJHWSSBYRONG-LJQANCHMSA-N 0 0 495.620 4.618 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223203286 569903295 /nfs/dbraw/zinc/90/32/95/569903295.db2.gz TZCGGUYAEKYCHI-DLBZAZTESA-N 0 0 463.441 4.873 40 0 JJABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCC2 ZINC000223202205 569903330 /nfs/dbraw/zinc/90/33/30/569903330.db2.gz QIWJHWSSBYRONG-IBGZPJMESA-N 0 0 495.620 4.618 40 0 JJABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223202648 569903336 /nfs/dbraw/zinc/90/33/36/569903336.db2.gz CQHKMYZYHWEPAG-JWQCQUIFSA-N 0 0 497.064 4.998 40 0 JJABRN 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BNHBXXHAPOALGX-CVEARBPZSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 ZINC000223256252 569905139 /nfs/dbraw/zinc/90/51/39/569905139.db2.gz ICVKHIMXFPFZGY-NRFANRHFSA-N 0 0 475.427 4.858 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223259042 569905175 /nfs/dbraw/zinc/90/51/75/569905175.db2.gz ZDEWCIMKOFNLFV-HHHXNRCGSA-N 0 0 458.602 4.712 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223262523 569905295 /nfs/dbraw/zinc/90/52/95/569905295.db2.gz MLTARFJGCPQFGE-HXUWFJFHSA-N 0 0 484.383 4.660 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1OC ZINC000223271309 569905607 /nfs/dbraw/zinc/90/56/07/569905607.db2.gz QGAUQIWMYRUZSK-QHCPKHFHSA-N 0 0 480.992 4.504 40 0 JJABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000223272135 569905711 /nfs/dbraw/zinc/90/57/11/569905711.db2.gz ZSUOVVDZEPKJHY-HHHXNRCGSA-N 0 0 458.602 4.916 40 0 JJABRN 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ZINC000223285034 569906129 /nfs/dbraw/zinc/90/61/29/569906129.db2.gz MWKHSYJCDVZALQ-UHFFFAOYSA-N 0 0 497.636 4.694 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223285241 569906141 /nfs/dbraw/zinc/90/61/41/569906141.db2.gz MXOZRZVHJFABDC-IBGZPJMESA-N 0 0 460.640 4.894 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223309389 569906912 /nfs/dbraw/zinc/90/69/12/569906912.db2.gz RIBLOTIGOYOADH-YIXXDRMTSA-N 0 0 458.602 4.929 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1OC ZINC000223318045 569907307 /nfs/dbraw/zinc/90/73/07/569907307.db2.gz DKCKQJBRSOKEKX-HSZRJFAPSA-N 0 0 480.992 4.504 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(OC)cc(OC)c1 ZINC000223317662 569907323 /nfs/dbraw/zinc/90/73/23/569907323.db2.gz IBRFOLAVHGQPJD-INIZCTEOSA-N 0 0 497.419 4.723 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223317960 569907324 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569921561 /nfs/dbraw/zinc/92/15/61/569921561.db2.gz CYTYSQRVIIVGOO-UHFFFAOYSA-N 0 0 462.999 4.551 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223735242 569921583 /nfs/dbraw/zinc/92/15/83/569921583.db2.gz WLWKIPKWXWFRCI-FCHUYYIVSA-N 0 0 453.589 4.752 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223736096 569921596 /nfs/dbraw/zinc/92/15/96/569921596.db2.gz PKJZMABHUMQQSK-VXKWHMMOSA-N 0 0 455.967 4.921 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)cc1 ZINC000223739241 569921714 /nfs/dbraw/zinc/92/17/14/569921714.db2.gz CPIJKCGYKMQWEF-UHFFFAOYSA-N 0 0 467.031 4.875 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223745910 569921931 /nfs/dbraw/zinc/92/19/31/569921931.db2.gz VPUMFHPGAMDBMF-INIZCTEOSA-N 0 0 493.829 4.957 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223749869 569922102 /nfs/dbraw/zinc/92/21/02/569922102.db2.gz 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Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)cc1 ZINC000223766911 569922624 /nfs/dbraw/zinc/92/26/24/569922624.db2.gz JMBKMDLDLSLPQV-UHFFFAOYSA-N 0 0 452.576 4.728 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223768810 569922698 /nfs/dbraw/zinc/92/26/98/569922698.db2.gz OVPMULGJFSEUFP-AREMUKBSSA-N 0 0 494.632 4.844 40 0 JJABRN Cc1ccccc1CN(C(=O)CN1c2cccc3cccc(c23)C1=O)[C@H](C)C(=O)NC1CCCC1 ZINC000223774457 569922883 /nfs/dbraw/zinc/92/28/83/569922883.db2.gz GHBFQWFYHRAQRW-HXUWFJFHSA-N 0 0 469.585 4.585 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000223777267 569922972 /nfs/dbraw/zinc/92/29/72/569922972.db2.gz BPGBWDIICLNBGZ-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN Cc1ccccc1CN(C(=O)COc1ccc(Br)c(C)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223780108 569923098 /nfs/dbraw/zinc/92/30/98/569923098.db2.gz MVMNDYDPCPUGLZ-IBGZPJMESA-N 0 0 487.438 4.921 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)cc1 ZINC000223782358 569923148 /nfs/dbraw/zinc/92/31/48/569923148.db2.gz NGCLXFKLVISOQT-LOSJGSFVSA-N 0 0 484.581 4.845 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 ZINC000223782823 569923200 /nfs/dbraw/zinc/92/32/00/569923200.db2.gz VKNPKYMNCLMKIB-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000223800412 569923743 /nfs/dbraw/zinc/92/37/43/569923743.db2.gz JTQUXAAGEQJPNP-UHFFFAOYSA-N 0 0 497.429 4.939 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223802614 569923865 /nfs/dbraw/zinc/92/38/65/569923865.db2.gz TUYBLQSIQLGFQS-MRXNPFEDSA-N 0 0 479.390 4.644 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223815089 569924169 /nfs/dbraw/zinc/92/41/69/569924169.db2.gz MHEZNJSZMOQWES-DEOSSOPVSA-N 0 0 458.574 4.717 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223821890 569924340 /nfs/dbraw/zinc/92/43/40/569924340.db2.gz ZIHRUHFEOOKKKH-LJQANCHMSA-N 0 0 487.449 4.857 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223830373 569924574 /nfs/dbraw/zinc/92/45/74/569924574.db2.gz KXXQQUIPTSHERK-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223830239 569924576 /nfs/dbraw/zinc/92/45/76/569924576.db2.gz KZIPDJIJRVISEY-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223830295 569924577 /nfs/dbraw/zinc/92/45/77/569924577.db2.gz KZIPDJIJRVISEY-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223832884 569924699 /nfs/dbraw/zinc/92/46/99/569924699.db2.gz KCQOBZVJUKMJBQ-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000223840152 569924838 /nfs/dbraw/zinc/92/48/38/569924838.db2.gz WNUSEDLBZWYKSQ-HNNXBMFYSA-N 0 0 457.423 4.979 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Br)cc1 ZINC000223846216 569924977 /nfs/dbraw/zinc/92/49/77/569924977.db2.gz CHNURICNAXUQRR-MRXNPFEDSA-N 0 0 481.431 4.765 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1c(F)cccc1Cl ZINC000223846383 569925013 /nfs/dbraw/zinc/92/50/13/569925013.db2.gz YYZWVBKBVCCINW-HNNXBMFYSA-N 0 0 454.970 4.795 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223853266 569925152 /nfs/dbraw/zinc/92/51/52/569925152.db2.gz UIAUSOLWKYWUSQ-LJQANCHMSA-N 0 0 473.013 4.984 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223854257 569925200 /nfs/dbraw/zinc/92/52/00/569925200.db2.gz YSBMCFRAJPOJNS-INIZCTEOSA-N 0 0 493.829 4.957 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223863492 569925538 /nfs/dbraw/zinc/92/55/38/569925538.db2.gz UUANAZOEVHNTTG-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867483 569925690 /nfs/dbraw/zinc/92/56/90/569925690.db2.gz ZBBWLDYWSLIWPV-DQEYMECFSA-N 0 0 455.587 4.821 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223874700 569925901 /nfs/dbraw/zinc/92/59/01/569925901.db2.gz HWGCUGLHTMVXPC-QGZVFWFLSA-N 0 0 479.390 4.527 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223890072 569926435 /nfs/dbraw/zinc/92/64/35/569926435.db2.gz PSRBTWGZUAXSAS-DQEYMECFSA-N 0 0 454.603 4.570 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c4c(cccc42)CC3)c2ccc(F)cc2)cc1 ZINC000223905001 569926818 /nfs/dbraw/zinc/92/68/18/569926818.db2.gz SJEQJAHPRARRMM-UHFFFAOYSA-N 0 0 490.556 4.920 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1C ZINC000223905076 569926837 /nfs/dbraw/zinc/92/68/37/569926837.db2.gz USLXQVCBQZOJAV-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223907560 569926889 /nfs/dbraw/zinc/92/68/89/569926889.db2.gz BTVNJCVAVFPVMP-JWQCQUIFSA-N 0 0 455.587 4.821 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223912214 569927023 /nfs/dbraw/zinc/92/70/23/569927023.db2.gz SOLVUYWSQCCAHI-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)nc1 ZINC000223923309 569927445 /nfs/dbraw/zinc/92/74/45/569927445.db2.gz SNWIKTJSDVLVOP-KAYWLYCHSA-N 0 0 496.640 4.589 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223924667 569927475 /nfs/dbraw/zinc/92/74/75/569927475.db2.gz KSXNLYJLPYTJHQ-GOSISDBHSA-N 0 0 459.428 4.888 40 0 JJABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223928434 569927552 /nfs/dbraw/zinc/92/75/52/569927552.db2.gz RBRKDDQGNTXWLP-DNQXCXABSA-N 0 0 461.635 4.652 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1C ZINC000223927721 569927555 /nfs/dbraw/zinc/92/75/55/569927555.db2.gz LSYHHCUKZABSHR-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223928547 569927558 /nfs/dbraw/zinc/92/75/58/569927558.db2.gz RBRKDDQGNTXWLP-BJKOFHAPSA-N 0 0 461.635 4.652 40 0 JJABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223929592 569927605 /nfs/dbraw/zinc/92/76/05/569927605.db2.gz XKMLHSKFMNNGRI-DQEYMECFSA-N 0 0 461.635 4.534 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223933565 569927730 /nfs/dbraw/zinc/92/77/30/569927730.db2.gz VYMPCTIYUVUEBS-KRWDZBQOSA-N 0 0 463.441 4.793 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C(C)C ZINC000223930304 569927687 /nfs/dbraw/zinc/92/76/87/569927687.db2.gz ALYQXFDPQPPSSD-GOSISDBHSA-N 0 0 475.427 4.895 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942376 569927937 /nfs/dbraw/zinc/92/79/37/569927937.db2.gz MSFAJPBAKBNWLG-RRPNLBNLSA-N 0 0 481.625 4.886 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942481 569927962 /nfs/dbraw/zinc/92/79/62/569927962.db2.gz MSFAJPBAKBNWLG-SVBPBHIXSA-N 0 0 481.625 4.886 40 0 JJABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223945286 569928016 /nfs/dbraw/zinc/92/80/16/569928016.db2.gz UTCIOYVVRGFLAM-KAYWLYCHSA-N 0 0 497.624 4.592 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)cc1 ZINC000223944750 569928040 /nfs/dbraw/zinc/92/80/40/569928040.db2.gz DKFDPTUWOJYHCG-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223946805 569928050 /nfs/dbraw/zinc/92/80/50/569928050.db2.gz KGFSQVPCNCBRDR-DEOSSOPVSA-N 0 0 456.652 4.961 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 ZINC000223946607 569928051 /nfs/dbraw/zinc/92/80/51/569928051.db2.gz FXVPIKUGWQCICH-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccc(C)c2)cc1 ZINC000223945679 569928053 /nfs/dbraw/zinc/92/80/53/569928053.db2.gz MAFDRKZKFUJTBY-UHFFFAOYSA-N 0 0 476.520 4.834 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)c1C ZINC000223945603 569928069 /nfs/dbraw/zinc/92/80/69/569928069.db2.gz KEAAWOYDVZGMDQ-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c(C)c1 ZINC000223951018 569928230 /nfs/dbraw/zinc/92/82/30/569928230.db2.gz DTARHKDMLYHQMG-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)c1 ZINC000223951159 569928248 /nfs/dbraw/zinc/92/82/48/569928248.db2.gz MASOLEHMWUTVJC-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)c1 ZINC000223953316 569928327 /nfs/dbraw/zinc/92/83/27/569928327.db2.gz MUGLFRFOCGBUFE-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 ZINC000223962270 569928569 /nfs/dbraw/zinc/92/85/69/569928569.db2.gz 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CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 ZINC000224688930 569953658 /nfs/dbraw/zinc/95/36/58/569953658.db2.gz BBKCIBPKLLRYHO-UHFFFAOYSA-N 0 0 476.573 4.918 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1Cl ZINC000224694922 569953831 /nfs/dbraw/zinc/95/38/31/569953831.db2.gz JYRXRBVFRWRJCC-INIZCTEOSA-N 0 0 481.818 4.733 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000224698803 569954021 /nfs/dbraw/zinc/95/40/21/569954021.db2.gz RHEQIJRPLKSXPA-OAQYLSRUSA-N 0 0 466.622 4.811 40 0 JJABRN Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCCC1 ZINC000224701395 569954130 /nfs/dbraw/zinc/95/41/30/569954130.db2.gz FSFNVYIUPYLCOJ-FQEVSTJZSA-N 0 0 450.579 4.523 40 0 JJABRN Cc1cccc(OCCNC(=O)CCCN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000224706397 569954294 /nfs/dbraw/zinc/95/42/94/569954294.db2.gz YPXKRTBVQFHODT-UHFFFAOYSA-N 0 0 482.602 4.529 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000224722177 569954761 /nfs/dbraw/zinc/95/47/61/569954761.db2.gz ZGXBUVCCYSVXOH-IBGZPJMESA-N 0 0 487.438 4.921 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224724011 569954851 /nfs/dbraw/zinc/95/48/51/569954851.db2.gz QAJSKFAFKPIVMR-OAHLLOKOSA-N 0 0 451.792 4.587 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000224725521 569954890 /nfs/dbraw/zinc/95/48/90/569954890.db2.gz NOQUFAJYQUWMNQ-SFHVURJKSA-N 0 0 491.426 4.559 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000224726218 569954908 /nfs/dbraw/zinc/95/49/08/569954908.db2.gz CWQIDSHCVSFDSA-OAQYLSRUSA-N 0 0 466.622 4.811 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1Br ZINC000224730727 569955121 /nfs/dbraw/zinc/95/51/21/569955121.db2.gz OYZRZBOYPJGTQI-GOSISDBHSA-N 0 0 475.427 4.642 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000224730452 569955122 /nfs/dbraw/zinc/95/51/22/569955122.db2.gz VEYBCBMUWVAWEI-IBGZPJMESA-N 0 0 475.427 4.697 40 0 JJABRN Cc1cccc(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224733303 569955235 /nfs/dbraw/zinc/95/52/35/569955235.db2.gz CGBAUGYSXWKRQN-SFHVURJKSA-N 0 0 457.412 4.776 40 0 JJABRN Cc1ccccc1CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCC1 ZINC000224733183 569955237 /nfs/dbraw/zinc/95/52/37/569955237.db2.gz DTEKWXXBHDIEBS-SFHVURJKSA-N 0 0 457.412 4.776 40 0 JJABRN Cc1cccc(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224733352 569955249 /nfs/dbraw/zinc/95/52/49/569955249.db2.gz CGBAUGYSXWKRQN-GOSISDBHSA-N 0 0 457.412 4.776 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224736035 569955469 /nfs/dbraw/zinc/95/54/69/569955469.db2.gz HKOXMYMXRJFYDS-NRFANRHFSA-N 0 0 458.986 4.581 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000224735910 569955491 /nfs/dbraw/zinc/95/54/91/569955491.db2.gz GRZPOHFWIGFGII-QFIPXVFZSA-N 0 0 473.013 4.623 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000224735960 569955495 /nfs/dbraw/zinc/95/54/95/569955495.db2.gz GRZPOHFWIGFGII-JOCHJYFZSA-N 0 0 473.013 4.623 40 0 JJABRN COc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000224739504 569955592 /nfs/dbraw/zinc/95/55/92/569955592.db2.gz FRKNCFAJRAGPBT-UHFFFAOYSA-N 0 0 452.532 4.780 40 0 JJABRN Cc1ccc(CN(C(=O)CN2c3cccc4cccc(c34)C2=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224745013 569955753 /nfs/dbraw/zinc/95/57/53/569955753.db2.gz PMZPUBNSOIXHFT-NRFANRHFSA-N 0 0 483.612 4.975 40 0 JJABRN CCc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000224748604 569955885 /nfs/dbraw/zinc/95/58/85/569955885.db2.gz USYANBGFDPCJDW-UHFFFAOYSA-N 0 0 487.021 4.677 40 0 JJABRN CCc1ccc(N(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000224749084 569955944 /nfs/dbraw/zinc/95/59/44/569955944.db2.gz WZORVAUKYKPGDY-HXUWFJFHSA-N 0 0 450.604 4.749 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1 ZINC000224761090 569956484 /nfs/dbraw/zinc/95/64/84/569956484.db2.gz YVKSLYCDUYQVDQ-INIZCTEOSA-N 0 0 493.829 4.957 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224763248 569956588 /nfs/dbraw/zinc/95/65/88/569956588.db2.gz PCFWVANLPVDPSW-MHZLTWQESA-N 0 0 456.586 4.764 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000224764940 569956658 /nfs/dbraw/zinc/95/66/58/569956658.db2.gz LRCIKORZAPZNCW-UHFFFAOYSA-N 0 0 471.406 4.748 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000224766484 569956733 /nfs/dbraw/zinc/95/67/33/569956733.db2.gz GWPPEMBGPAPUFC-INIZCTEOSA-N 0 0 481.818 4.733 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(Br)c2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224768541 569956842 /nfs/dbraw/zinc/95/68/42/569956842.db2.gz QXNGVYMATACIMP-UHFFFAOYSA-N 0 0 489.391 4.531 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224769853 569956890 /nfs/dbraw/zinc/95/68/90/569956890.db2.gz DRBJAQCMLXFNDB-UHFFFAOYSA-N 0 0 478.492 4.787 40 0 JJABRN Cc1cc(Cl)ccc1N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000224769771 569956891 /nfs/dbraw/zinc/95/68/91/569956891.db2.gz SWPKHKFTVFSSEG-UHFFFAOYSA-N 0 0 474.985 4.726 40 0 JJABRN Cc1cc(Cl)ccc1N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)S(C)(=O)=O ZINC000224770047 569956897 /nfs/dbraw/zinc/95/68/97/569956897.db2.gz VDPFMEFDJSQBRM-UHFFFAOYSA-N 0 0 487.021 4.561 40 0 JJABRN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000224776247 569957093 /nfs/dbraw/zinc/95/70/93/569957093.db2.gz AFIOPAFIMIUTEW-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000224776687 569957108 /nfs/dbraw/zinc/95/71/08/569957108.db2.gz RWXIJVSTXNOGTP-GOSISDBHSA-N 0 0 487.021 4.984 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000224779509 569957224 /nfs/dbraw/zinc/95/72/24/569957224.db2.gz XNBXNAXGEATKPB-UHFFFAOYSA-N 0 0 474.985 4.726 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224780169 569957263 /nfs/dbraw/zinc/95/72/63/569957263.db2.gz FUSCWYNKYDDLPR-SFHVURJKSA-N 0 0 489.012 4.602 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224781883 569957330 /nfs/dbraw/zinc/95/73/30/569957330.db2.gz BFODVJHQQOIBLR-UHFFFAOYSA-N 0 0 488.993 4.739 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224784064 569957408 /nfs/dbraw/zinc/95/74/08/569957408.db2.gz BXQZZWUZWXNMLT-NDEPHWFRSA-N 0 0 470.613 4.937 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224786196 569957471 /nfs/dbraw/zinc/95/74/71/569957471.db2.gz MHUPIHGHGBIYJC-SFHVURJKSA-N 0 0 470.997 4.868 40 0 JJABRN COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224786343 569957477 /nfs/dbraw/zinc/95/74/77/569957477.db2.gz JPQRVAHKSBNNJI-SFHVURJKSA-N 0 0 487.021 4.969 40 0 JJABRN COc1ccc(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224785376 569957495 /nfs/dbraw/zinc/95/74/95/569957495.db2.gz DTOSOAJJLMNAOE-UHFFFAOYSA-N 0 0 462.999 4.545 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224787819 569957607 /nfs/dbraw/zinc/95/76/07/569957607.db2.gz DTHLSRJVQAXDAQ-MHZLTWQESA-N 0 0 458.602 4.711 40 0 JJABRN O=C(COc1ccccc1F)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224788084 569957616 /nfs/dbraw/zinc/95/76/16/569957616.db2.gz KYZNPHGTHUMKGZ-AREMUKBSSA-N 0 0 474.576 4.903 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(F)c2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224789783 569957708 /nfs/dbraw/zinc/95/77/08/569957708.db2.gz BGNMLTVGPZAJJJ-UHFFFAOYSA-N 0 0 462.930 4.561 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224794885 569957885 /nfs/dbraw/zinc/95/78/85/569957885.db2.gz WTUACNFWFRUHJX-VWLOTQADSA-N 0 0 474.601 4.547 40 0 JJABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)c(OC)c1 ZINC000224797984 569958043 /nfs/dbraw/zinc/95/80/43/569958043.db2.gz SKVGMHQTDGQRGH-RPBOFIJWSA-N 0 0 471.586 4.770 40 0 JJABRN CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224799011 569958097 /nfs/dbraw/zinc/95/80/97/569958097.db2.gz GXGLQURBVZJVNQ-UHFFFAOYSA-N 0 0 490.984 4.774 40 0 JJABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224798719 569958132 /nfs/dbraw/zinc/95/81/32/569958132.db2.gz QLJTVKYKHBMSMM-UHFFFAOYSA-N 0 0 462.587 4.643 40 0 JJABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c(OC)c1 ZINC000224800759 569958155 /nfs/dbraw/zinc/95/81/55/569958155.db2.gz STOGWZOTHJQJIE-RPBOFIJWSA-N 0 0 471.586 4.521 40 0 JJABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224811851 569958625 /nfs/dbraw/zinc/95/86/25/569958625.db2.gz AZQXWLYUIBJXGO-UHFFFAOYSA-N 0 0 458.967 4.812 40 0 JJABRN CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224821778 569959185 /nfs/dbraw/zinc/95/91/85/569959185.db2.gz JCAIALSZRWSCKB-UHFFFAOYSA-N 0 0 452.576 4.775 40 0 JJABRN CCOc1ccc(C(=O)NC2CCCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224831014 569959531 /nfs/dbraw/zinc/95/95/31/569959531.db2.gz XVOBOLGXSQHRQQ-UHFFFAOYSA-N 0 0 465.015 4.622 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)c1 ZINC000224834066 569959600 /nfs/dbraw/zinc/95/96/00/569959600.db2.gz VOKKDMXCAVZPIK-LOSJGSFVSA-N 0 0 471.586 4.770 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c1 ZINC000224833635 569959614 /nfs/dbraw/zinc/95/96/14/569959614.db2.gz AXAVWDFGIIDBHJ-RPBOFIJWSA-N 0 0 471.586 4.521 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccccc3C(C)C)S(C)(=O)=O)cc2)c1 ZINC000224840967 569959864 /nfs/dbraw/zinc/95/98/64/569959864.db2.gz GJLKNAMNTFFHEH-UHFFFAOYSA-N 0 0 480.630 4.893 40 0 JJABRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000224846032 569960106 /nfs/dbraw/zinc/96/01/06/569960106.db2.gz XXAXEALUBPAYBA-JOCHJYFZSA-N 0 0 481.420 4.960 40 0 JJABRN C[C@H](CNC(=O)CCCN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000224847027 569960236 /nfs/dbraw/zinc/96/02/36/569960236.db2.gz GYLBCBLVRCRGGT-OAHLLOKOSA-N 0 0 476.948 4.825 40 0 JJABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)c1 ZINC000224850349 569960275 /nfs/dbraw/zinc/96/02/75/569960275.db2.gz FKEKDXHELKJPNV-RPBOFIJWSA-N 0 0 471.586 4.521 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000224849254 569960312 /nfs/dbraw/zinc/96/03/12/569960312.db2.gz ZQYOKYYSAVZAEO-IBGZPJMESA-N 0 0 452.576 4.685 40 0 JJABRN Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224865244 569960801 /nfs/dbraw/zinc/96/08/01/569960801.db2.gz LXKJDUBQNCMBGF-SSKFGXFMSA-N 0 0 454.983 4.598 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccccc1Sc1ccccc1 ZINC000224876165 569961302 /nfs/dbraw/zinc/96/13/02/569961302.db2.gz DYFUQTJGMNNIPC-UHFFFAOYSA-N 0 0 498.670 4.717 40 0 JJABRN O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CCN(c2ccccc2F)CC1 ZINC000224879964 569961577 /nfs/dbraw/zinc/96/15/77/569961577.db2.gz ZVZAZCKGTRVCGU-UHFFFAOYSA-N 0 0 458.331 4.525 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(C)c(C)c2)cc1 ZINC000224880379 569961645 /nfs/dbraw/zinc/96/16/45/569961645.db2.gz OUKZJBSGDVNIAF-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000224889956 569962043 /nfs/dbraw/zinc/96/20/43/569962043.db2.gz IWBPJYLQUZMGID-INIZCTEOSA-N 0 0 464.893 4.730 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000224891215 569962050 /nfs/dbraw/zinc/96/20/50/569962050.db2.gz FZYXSQWWHYAACA-UHFFFAOYSA-N 0 0 484.418 4.789 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000224892277 569962116 /nfs/dbraw/zinc/96/21/16/569962116.db2.gz PPCYKLPILJFLPO-UHFFFAOYSA-N 0 0 462.493 4.602 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224901728 569962462 /nfs/dbraw/zinc/96/24/62/569962462.db2.gz ZVKYTDSEIXBHQQ-UHFFFAOYSA-N 0 0 463.603 4.738 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000224902048 569962498 /nfs/dbraw/zinc/96/24/98/569962498.db2.gz SHCXLIZDXPGFLE-QGZVFWFLSA-N 0 0 451.394 4.933 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C ZINC000224902949 569962598 /nfs/dbraw/zinc/96/25/98/569962598.db2.gz SGPKYMGTSFOLDA-DEOSSOPVSA-N 0 0 495.019 4.892 40 0 JJABRN Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 ZINC000224911360 569963039 /nfs/dbraw/zinc/96/30/39/569963039.db2.gz UXAYGCGINIKGIJ-UHFFFAOYSA-N 0 0 496.629 4.557 40 0 JJABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000224911856 569963108 /nfs/dbraw/zinc/96/31/08/569963108.db2.gz GWJOJFPFCUJIPF-DEOSSOPVSA-N 0 0 472.651 4.517 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccccc1Oc1ccccc1 ZINC000224913018 569963142 /nfs/dbraw/zinc/96/31/42/569963142.db2.gz MEHOPXRLUFHRDZ-UHFFFAOYSA-N 0 0 470.566 4.523 40 0 JJABRN 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ZINC000257262066 570127053 /nfs/dbraw/zinc/12/70/53/570127053.db2.gz LJXDPYUQLPUNFH-UHFFFAOYSA-N 0 0 483.612 4.947 40 0 JJABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)on1 ZINC000257262113 570127079 /nfs/dbraw/zinc/12/70/79/570127079.db2.gz LKCIMMDJGIYBOP-NRFANRHFSA-N 0 0 465.941 4.983 40 0 JJABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1 ZINC000409098058 570127319 /nfs/dbraw/zinc/12/73/19/570127319.db2.gz NELPUPGSLCBBAS-HYARGMPZSA-N 0 0 475.932 4.759 40 0 JJABRN Cc1cc(C)nc(NCCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)n1 ZINC000257262952 570127341 /nfs/dbraw/zinc/12/73/41/570127341.db2.gz LNTMXCNONHXCPS-JOCHJYFZSA-N 0 0 494.043 4.826 40 0 JJABRN Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)no1 ZINC000257263512 570127539 /nfs/dbraw/zinc/12/75/39/570127539.db2.gz LQGBIWJCYLNSKC-RDPSFJRHSA-N 0 0 481.980 4.595 40 0 JJABRN O=C(C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2Cl)C1)N1CCOCC1 ZINC000257264802 570127959 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490.069 4.738 40 0 JJABRN Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccc(Cn5ccnc5)c4)C3)n2)c1 ZINC000257295629 570137084 /nfs/dbraw/zinc/13/70/84/570137084.db2.gz QZEXNNWPKFNXCG-QHCPKHFHSA-N 0 0 453.546 4.842 40 0 JJABRN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1C ZINC000409124180 570137115 /nfs/dbraw/zinc/13/71/15/570137115.db2.gz JQZHMDQTUIFNSH-IBGZPJMESA-N 0 0 483.682 4.892 40 0 JJABRN COc1ccc(C[C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccc(Nc3ncccn3)c2)cc1 ZINC000257296277 570137291 /nfs/dbraw/zinc/13/72/91/570137291.db2.gz RCAQBQJUWAFUNR-VBOOUTDYSA-N 0 0 472.589 4.607 40 0 JJABRN O=C(c1ccccc1-c1ccccc1)N1CCOC[C@]2(CN(c3ccc(Cl)cc3)C(=O)O2)C1 ZINC000257297783 570137815 /nfs/dbraw/zinc/13/78/15/570137815.db2.gz RITSTJDBFLBCDH-AREMUKBSSA-N 0 0 462.933 4.875 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(C)cc3)C(C)C)n2CC)cc1 ZINC000409126050 570137929 /nfs/dbraw/zinc/13/79/29/570137929.db2.gz NRMXNNARZVVWJZ-HSZRJFAPSA-N 0 0 495.649 4.863 40 0 JJABRN CCOc1ccc2nc(NC(=O)CN3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccccc4)C3)sc2c1 ZINC000257300130 570138452 /nfs/dbraw/zinc/13/84/52/570138452.db2.gz RTAINVXYRGFIFV-JYFHCDHNSA-N 0 0 483.634 4.564 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000409128455 570139059 /nfs/dbraw/zinc/13/90/59/570139059.db2.gz OVXPBAOFYBEBLA-OAQYLSRUSA-N 0 0 493.629 4.666 40 0 JJABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1C ZINC000409130041 570139698 /nfs/dbraw/zinc/13/96/98/570139698.db2.gz ICABECMPTZRANQ-AWEZNQCLSA-N 0 0 468.859 4.510 40 0 JJABRN O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257304538 570139740 /nfs/dbraw/zinc/13/97/40/570139740.db2.gz SMCUCMCGPBBFJR-VWLOTQADSA-N 0 0 457.965 4.943 40 0 JJABRN O=C(Cn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21)NC1CCCC1 ZINC000409130619 570139886 /nfs/dbraw/zinc/13/98/86/570139886.db2.gz INHPHJDBVKEDAL-JLPGSUDCSA-N 0 0 473.598 4.979 40 0 JJABRN 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479.753 4.594 40 0 JJABRN CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000409243214 570182862 /nfs/dbraw/zinc/18/28/62/570182862.db2.gz QORSJZCFXZXTSO-KGENOOAVSA-N 0 0 480.977 4.872 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329046530 570182918 /nfs/dbraw/zinc/18/29/18/570182918.db2.gz UBSLGZHDDDDIKZ-HXUWFJFHSA-N 0 0 482.453 5.361 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329055520 570183175 /nfs/dbraw/zinc/18/31/75/570183175.db2.gz VPAXMKYBNOIRQE-GFCCVEGCSA-N 0 0 470.398 5.180 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329059710 570183260 /nfs/dbraw/zinc/18/32/60/570183260.db2.gz WJSVXICWYDVLSH-KRWDZBQOSA-N 0 0 451.880 5.383 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065056 570183616 /nfs/dbraw/zinc/18/36/16/570183616.db2.gz XNYUIHFLOHCFAZ-CYBMUJFWSA-N 0 0 450.436 4.988 40 0 JJABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(OC)cc2)C1=O ZINC000409245456 570183933 /nfs/dbraw/zinc/18/39/33/570183933.db2.gz TYMKJCUPTKYXJP-WOJGMQOQSA-N 0 0 491.363 4.531 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000409245864 570184101 /nfs/dbraw/zinc/18/41/01/570184101.db2.gz AANMRSBBNJGZSA-YBFXNURJSA-N 0 0 490.965 4.819 40 0 JJABRN Cc1ccc(CN2C(=O)N/C(=C/c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000409245772 570184120 /nfs/dbraw/zinc/18/41/20/570184120.db2.gz YXRZFWHMIIGQNY-MFKUBSTISA-N 0 0 478.552 4.990 40 0 JJABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O ZINC000409246556 570184478 /nfs/dbraw/zinc/18/44/78/570184478.db2.gz CTJGINSWEHCHST-LDADJPATSA-N 0 0 485.418 4.505 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)C1=O ZINC000409247630 570184854 /nfs/dbraw/zinc/18/48/54/570184854.db2.gz DXRDEJZOGTUTQU-VCHYOVAHSA-N 0 0 477.330 4.869 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409248282 570185052 /nfs/dbraw/zinc/18/50/52/570185052.db2.gz PCVMMFSWTSKWQD-IBGZPJMESA-N 0 0 466.603 4.868 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O ZINC000409251928 570186068 /nfs/dbraw/zinc/18/60/68/570186068.db2.gz REHPVVQDLKVQLA-RVZJCZPVSA-N 0 0 485.968 4.620 40 0 JJABRN CCn1c2cc(Br)c(NC(=O)Cc3cccc4ccccc43)cc2n(CC)c1=O ZINC000408526602 570186126 /nfs/dbraw/zinc/18/61/26/570186126.db2.gz BQUYXSFVFNZESG-UHFFFAOYSA-N 0 0 452.352 4.940 40 0 JJABRN COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cccc1OC ZINC000408526790 570186146 /nfs/dbraw/zinc/18/61/46/570186146.db2.gz CJRMNUBRDIDIQY-CAOOACKPSA-N 0 0 482.341 4.790 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3ccccc3OCC)n1)CCCC2 ZINC000408527468 570186432 /nfs/dbraw/zinc/18/64/32/570186432.db2.gz OAFAYRRAHZPQLZ-UHFFFAOYSA-N 0 0 486.619 4.718 40 0 JJABRN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000408529481 570187202 /nfs/dbraw/zinc/18/72/02/570187202.db2.gz 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570192819 /nfs/dbraw/zinc/19/28/19/570192819.db2.gz LOUSUWFJXFVUPA-MRDQGFSESA-N 0 0 477.586 4.834 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccccc3)c1)CCCC2 ZINC000408545910 570193075 /nfs/dbraw/zinc/19/30/75/570193075.db2.gz BISOFXPRQFJGMJ-UHFFFAOYSA-N 0 0 484.599 4.775 40 0 JJABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408547609 570193779 /nfs/dbraw/zinc/19/37/79/570193779.db2.gz JWEGOJRYVMFFBU-RUZDIDTESA-N 0 0 482.005 4.670 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408548787 570194288 /nfs/dbraw/zinc/19/42/88/570194288.db2.gz VCYKKAZVTLWVKO-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1C ZINC000408553964 570196088 /nfs/dbraw/zinc/19/60/88/570196088.db2.gz AIDURDFQDHBJCR-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408554550 570196338 /nfs/dbraw/zinc/19/63/38/570196338.db2.gz BWZWYKJBYJVJKD-UHFFFAOYSA-N 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CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1 ZINC000408557201 570198028 /nfs/dbraw/zinc/19/80/28/570198028.db2.gz MBPZDWIBQDLLED-RUZDIDTESA-N 0 0 492.641 4.715 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)cc1 ZINC000408557272 570198077 /nfs/dbraw/zinc/19/80/77/570198077.db2.gz GEKJQXGBABTRGO-HXUWFJFHSA-N 0 0 450.560 4.827 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Br)cc2C)cc(I)c1OC ZINC000408558022 570198682 /nfs/dbraw/zinc/19/86/82/570198682.db2.gz ROBYUXVCKIMQMI-UHFFFAOYSA-N 0 0 476.108 4.632 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1C ZINC000409310930 570199083 /nfs/dbraw/zinc/19/90/83/570199083.db2.gz DFIGSXZWZJDZAD-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000408558715 570199215 /nfs/dbraw/zinc/19/92/15/570199215.db2.gz KCPDWCFAUPHWOC-UHFFFAOYSA-N 0 0 495.384 4.741 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CCCCCC1 ZINC000408558987 570199406 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JOKUNUUXHXPJHH-IBGZPJMESA-N 0 0 470.566 4.606 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020105340 521023169 /nfs/dbraw/zinc/02/31/69/521023169.db2.gz FNUIGKRBLLXMBH-AREMUKBSSA-N 0 0 478.614 4.783 40 0 JJABRN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004631 521109058 /nfs/dbraw/zinc/10/90/58/521109058.db2.gz LSTCYUQHYVSOTG-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1C ZINC000016162886 521184948 /nfs/dbraw/zinc/18/49/48/521184948.db2.gz WBGHMXGDUZHSFN-UHFFFAOYSA-N 0 0 479.602 4.781 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1C ZINC000022540159 521193102 /nfs/dbraw/zinc/19/31/02/521193102.db2.gz HSROIEXJYRSTGA-NRFANRHFSA-N 0 0 472.651 4.597 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499607 521197035 /nfs/dbraw/zinc/19/70/35/521197035.db2.gz YPNNXPSDEPAAMQ-RUZDIDTESA-N 0 0 486.576 4.909 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431243 521217916 /nfs/dbraw/zinc/21/79/16/521217916.db2.gz BOQJQLCDMVZPAG-OAQYLSRUSA-N 0 0 496.629 4.865 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000020495295 521252472 /nfs/dbraw/zinc/25/24/72/521252472.db2.gz OKUVUTRYWCZXEJ-SFHVURJKSA-N 0 0 472.994 4.811 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020494821 521253738 /nfs/dbraw/zinc/25/37/38/521253738.db2.gz SCMDHAZQHUZUCA-NRFANRHFSA-N 0 0 496.629 4.865 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000030754976 521256550 /nfs/dbraw/zinc/25/65/50/521256550.db2.gz GVCLXPDKXSRUBP-KRWDZBQOSA-N 0 0 465.015 4.650 40 0 JJABRN CCOC(=O)[C@H](NC(=O)CC1c2ccccc2-c2ccccc21)[C@H](OC(=O)CC)c1ccccc1 ZINC000016609978 521261758 /nfs/dbraw/zinc/26/17/58/521261758.db2.gz CNZCUCLVRPOBBQ-VSGBNLITSA-N 0 0 471.553 4.931 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022525065 521350377 /nfs/dbraw/zinc/35/03/77/521350377.db2.gz KBNDBTCYRFZVBD-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000044884527 521350450 /nfs/dbraw/zinc/35/04/50/521350450.db2.gz BDCCYCAHIWHYKH-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2cccc(C)c2C)CC1 ZINC000013503406 521372733 /nfs/dbraw/zinc/37/27/33/521372733.db2.gz ZVRMXNGNUCWCAC-SANMLTNESA-N 0 0 469.637 4.895 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCc2ccccc21 ZINC000006077700 521373862 /nfs/dbraw/zinc/37/38/62/521373862.db2.gz LRKKQYRXLCAEHO-DEOSSOPVSA-N 0 0 456.594 4.819 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)ccc1Cl ZINC000044901003 521442655 /nfs/dbraw/zinc/44/26/55/521442655.db2.gz YYZKIWYBEPKEIR-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)ccc1Cl ZINC000044846932 521443358 /nfs/dbraw/zinc/44/33/58/521443358.db2.gz OCTQJJYJXBOPPC-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)ccc1Cl ZINC000020484806 521443981 /nfs/dbraw/zinc/44/39/81/521443981.db2.gz NNGVTNHIZGUETN-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000012479350 521480044 /nfs/dbraw/zinc/48/00/44/521480044.db2.gz FFGOQEZKIUPZIN-DEOSSOPVSA-N 0 0 475.545 4.688 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)C=C(NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)C2=O)cc1 ZINC000014943727 521483145 /nfs/dbraw/zinc/48/31/45/521483145.db2.gz JNRDJROOFBFIRB-QHCPKHFHSA-N 0 0 479.536 4.523 40 0 JJABRN CCOc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000012490284 521508755 /nfs/dbraw/zinc/50/87/55/521508755.db2.gz UVUQBYOVIHNELJ-DEOSSOPVSA-N 0 0 493.629 4.566 40 0 JJABRN CCOc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000012490279 521508815 /nfs/dbraw/zinc/50/88/15/521508815.db2.gz UVUQBYOVIHNELJ-XMMPIXPASA-N 0 0 493.629 4.566 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 ZINC000020452871 521514484 /nfs/dbraw/zinc/51/44/84/521514484.db2.gz OEJQMSMTYSGIPD-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S ZINC000016777970 521552533 /nfs/dbraw/zinc/55/25/33/521552533.db2.gz UJIOKOYCNRKYQX-UHFFFAOYSA-N 0 0 481.965 4.663 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044899975 521556496 /nfs/dbraw/zinc/55/64/96/521556496.db2.gz OLIFWTCHUWQXRX-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000012484117 521570564 /nfs/dbraw/zinc/57/05/64/521570564.db2.gz AMZKVZAZQAAYKB-DEOSSOPVSA-N 0 0 478.618 4.769 40 0 JJABRN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3C)C2)cc1 ZINC000016693581 521685341 /nfs/dbraw/zinc/68/53/41/521685341.db2.gz KMILGKKCLRDWDJ-NRFANRHFSA-N 0 0 453.589 4.810 40 0 JJABRN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2C[C@@]4(C)C[C@@H]2CC(C)(C)C4)cn3C2CC2)CC1 ZINC000013683862 521696476 /nfs/dbraw/zinc/69/64/76/521696476.db2.gz MQTIADBPPCCQMI-WRONEBCDSA-N 0 0 494.655 4.658 40 0 JJABRN COC(=O)c1c(C)nc2ccn(-c3nc4ccccc4s3)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819299 521758076 /nfs/dbraw/zinc/75/80/76/521758076.db2.gz QLWLZWBYPCFTSG-UHFFFAOYSA-N 0 0 457.511 4.766 40 0 JJABRN COC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(Br)cc2)sc2c1CCCC2 ZINC000036622886 521772350 /nfs/dbraw/zinc/77/23/50/521772350.db2.gz ZKEQLJVJVCVXIU-DHZHZOJOSA-N 0 0 479.421 4.702 40 0 JJABRN CCSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000020462101 521778468 /nfs/dbraw/zinc/77/84/68/521778468.db2.gz UMPVLYFJFJUPRU-JOCHJYFZSA-N 0 0 468.600 4.535 40 0 JJABRN CCSc1ccccc1NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020492356 521778998 /nfs/dbraw/zinc/77/89/98/521778998.db2.gz PMUSDMPOCBESQB-UHFFFAOYSA-N 0 0 495.670 4.557 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013506610 521848253 /nfs/dbraw/zinc/84/82/53/521848253.db2.gz CIRWZVFTDSQRHU-SANMLTNESA-N 0 0 491.563 4.544 40 0 JJABRN CCc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430641 521848451 /nfs/dbraw/zinc/84/84/51/521848451.db2.gz QNKJSVRLENUORG-UHFFFAOYSA-N 0 0 480.630 4.856 40 0 JJABRN CC[C@@H](C(=O)N[C@H](c1ccccc1)c1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044846400 521862764 /nfs/dbraw/zinc/86/27/64/521862764.db2.gz LNWUYKUGFYWUMU-LOSJGSFVSA-N 0 0 450.604 4.754 40 0 JJABRN COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/NC(=S)NC3=O)c2-c2ccccc2)cc1 ZINC000016194227 521931238 /nfs/dbraw/zinc/93/12/38/521931238.db2.gz KFCRDMPFZPMEEO-XQNSMLJCSA-N 0 0 479.561 4.943 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1 ZINC000012477187 522076278 /nfs/dbraw/zinc/07/62/78/522076278.db2.gz QRYHLKVXLPNWOA-RUZDIDTESA-N 0 0 491.613 4.696 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013669712 522223011 /nfs/dbraw/zinc/22/30/11/522223011.db2.gz XBRPULSSEMQFKF-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000013673250 522224318 /nfs/dbraw/zinc/22/43/18/522224318.db2.gz UWNLEHIXUGREHR-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CC[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000022518365 522530844 /nfs/dbraw/zinc/53/08/44/522530844.db2.gz KUQGGSXLGHZMRI-DEOSSOPVSA-N 0 0 499.608 4.528 40 0 JJABRN CC[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccccc1 ZINC000020487016 522531254 /nfs/dbraw/zinc/53/12/54/522531254.db2.gz IUNPZXHFJYASQH-QHCPKHFHSA-N 0 0 469.582 4.520 40 0 JJABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(OC)cc1 ZINC000020487215 522532092 /nfs/dbraw/zinc/53/20/92/522532092.db2.gz MACIOUNYTFQAID-QFIPXVFZSA-N 0 0 452.576 4.994 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n21)CC[C@@H](C)C3 ZINC000013499752 522538489 /nfs/dbraw/zinc/53/84/89/522538489.db2.gz WUXRTOYWQDRUKT-CYBMUJFWSA-N 0 0 479.631 4.960 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000022428584 522683728 /nfs/dbraw/zinc/68/37/28/522683728.db2.gz QCIRYLXLDILZSH-JOCHJYFZSA-N 0 0 487.419 4.912 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1)c1ccc(C)cc1 ZINC000020491162 522785287 /nfs/dbraw/zinc/78/52/87/522785287.db2.gz WQSYFWZQTRCVCX-HSZRJFAPSA-N 0 0 482.602 4.718 40 0 JJABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020484519 522878190 /nfs/dbraw/zinc/87/81/90/522878190.db2.gz AWIZFXJPYGIMTL-QHCPKHFHSA-N 0 0 482.602 4.819 40 0 JJABRN COC(=O)C1=C(C)N[C@@H]2SC(=Cc3cccs3)C(=O)N2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000022744580 522888086 /nfs/dbraw/zinc/88/80/86/522888086.db2.gz KPDQYTPVNDMTHQ-PAJUYHDRSA-N 0 0 486.615 4.535 40 0 JJABRN COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000016778790 522933723 /nfs/dbraw/zinc/93/37/23/522933723.db2.gz PUYACDFXDVGBEG-HSZRJFAPSA-N 0 0 485.964 4.726 40 0 JJABRN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000020390898 522935286 /nfs/dbraw/zinc/93/52/86/522935286.db2.gz LCAMLBZQFNLJDC-MWVDVNALSA-N 0 0 460.574 4.861 40 0 biogenic,in-vitro JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495610 522981671 /nfs/dbraw/zinc/98/16/71/522981671.db2.gz HGPXYYWLRHQBFC-RUZDIDTESA-N 0 0 486.551 4.757 40 0 JJABRN COc1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)c3ccccc3)CC1)oc1ccccc12 ZINC000013568131 523018077 /nfs/dbraw/zinc/01/80/77/523018077.db2.gz KADFTQAUFFNIGJ-UHFFFAOYSA-N 0 0 464.543 4.634 40 0 JJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000044949212 523054138 /nfs/dbraw/zinc/05/41/38/523054138.db2.gz VAOHTWRKGGAJIP-JOCHJYFZSA-N 0 0 482.602 4.819 40 0 JJABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000022610790 523078934 /nfs/dbraw/zinc/07/89/34/523078934.db2.gz HEZSIFGBGLPAOV-UHFFFAOYSA-N 0 0 452.301 4.719 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(I)ccc1Cl ZINC000020138567 523134563 /nfs/dbraw/zinc/13/45/63/523134563.db2.gz ZDCYMTVTGXIVIK-UHFFFAOYSA-N 0 0 483.689 4.958 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020481013 523222494 /nfs/dbraw/zinc/22/24/94/523222494.db2.gz NPDBZBACBYBZMR-UHFFFAOYSA-N 0 0 489.852 4.847 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Br)cc1 ZINC000014071315 523226616 /nfs/dbraw/zinc/22/66/16/523226616.db2.gz MTKWFSXQQCLZFQ-UHFFFAOYSA-N 0 0 459.369 4.661 40 0 JJABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(NC(C)=O)c1 ZINC000019929519 523243354 /nfs/dbraw/zinc/24/33/54/523243354.db2.gz HHYAAPXOKSRZOJ-UHFFFAOYSA-N 0 0 454.943 4.919 40 0 JJABRN COCc1nn2c(ncc(C(=O)Nc3cc(Cl)ccc3OC)c2C)c1-c1ccc(OC)cc1 ZINC000038829765 523244868 /nfs/dbraw/zinc/24/48/68/523244868.db2.gz JAIROCNKGQYRJE-UHFFFAOYSA-N 0 0 466.925 4.774 40 0 JJABRN COCc1nn2c(ncc3c2C[C@H](c2ccco2)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638405 523245777 /nfs/dbraw/zinc/24/57/77/523245777.db2.gz YOOHANBRTVSOAZ-AWEZNQCLSA-N 0 0 452.308 4.811 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(Br)cc1 ZINC000040372513 523247724 /nfs/dbraw/zinc/24/77/24/523247724.db2.gz WFOGBSVIFJNQAV-UHFFFAOYSA-N 0 0 486.757 4.914 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1ccc(Br)cc1 ZINC000040372533 523247892 /nfs/dbraw/zinc/24/78/92/523247892.db2.gz WHVHIGDVEBLYNM-UHFFFAOYSA-N 0 0 466.339 4.569 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000044843109 523276844 /nfs/dbraw/zinc/27/68/44/523276844.db2.gz DYOYGUYYIJJCPK-UHFFFAOYSA-N 0 0 461.587 4.992 40 0 JJABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)ccc21 ZINC000020484882 523277950 /nfs/dbraw/zinc/27/79/50/523277950.db2.gz WOFZMSSUUWHPHY-UHFFFAOYSA-N 0 0 463.559 4.751 40 0 JJABRN COc1ccc(/C=C2/S[C@@H](c3ccc(OC)cc3)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000017219239 523414699 /nfs/dbraw/zinc/41/46/99/523414699.db2.gz UOWWEDGQVOWKPM-WALVNQSHSA-N 0 0 460.555 4.593 40 0 JJABRN COCCCn1c(=O)c2c(nc1SCC(=O)Nc1cc(Cl)ccc1C)sc1c2CCC1 ZINC000012498436 523497658 /nfs/dbraw/zinc/49/76/58/523497658.db2.gz JNRDCCTURBWHHV-UHFFFAOYSA-N 0 0 478.039 4.676 40 0 JJABRN COCCCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006075533 523501815 /nfs/dbraw/zinc/50/18/15/523501815.db2.gz SIOHJTCTGLFEGB-UHFFFAOYSA-N 0 0 454.596 4.716 40 0 JJABRN COCCCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccncc1 ZINC000006904736 523502332 /nfs/dbraw/zinc/50/23/32/523502332.db2.gz YRHXTTPDDZTKSJ-UHFFFAOYSA-N 0 0 485.919 4.780 40 0 JJABRN COCCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006075528 523502348 /nfs/dbraw/zinc/50/23/48/523502348.db2.gz FURLNPKAZREFEZ-UHFFFAOYSA-N 0 0 452.624 4.688 40 0 JJABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)N4CCC(C)CC4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000020466229 523739759 /nfs/dbraw/zinc/73/97/59/523739759.db2.gz KBMOCQZCBIHWQM-AZCBIJCDSA-N 0 0 484.681 4.512 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1Br ZINC000022531401 523759524 /nfs/dbraw/zinc/75/95/24/523759524.db2.gz OGUYNCIBKIDOAO-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN CC[C@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020487904 523789291 /nfs/dbraw/zinc/78/92/91/523789291.db2.gz JYTMIGIPOBNXLB-FCHUYYIVSA-N 0 0 467.031 4.797 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000037021547 523804709 /nfs/dbraw/zinc/80/47/09/523804709.db2.gz JQXRZDIONKHCIG-CJFMBICVSA-N 0 0 493.629 4.669 40 0 JJABRN CN(C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000044880236 523815271 /nfs/dbraw/zinc/81/52/71/523815271.db2.gz IWRBYAMRBAVBCE-UHFFFAOYSA-N 0 0 455.407 4.980 40 0 JJABRN 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CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1 ZINC000006197838 524058341 /nfs/dbraw/zinc/05/83/41/524058341.db2.gz STFWKNCIHGAVDO-UHFFFAOYSA-N 0 0 474.582 4.684 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)cc2c1 ZINC000006135308 524058478 /nfs/dbraw/zinc/05/84/78/524058478.db2.gz AYKNATLFHMXIKB-SSOJOUAXSA-N 0 0 454.578 4.733 40 0 JJABRN COc1ccc(Cc2nn(CC(=O)Nc3cc(Cl)ccc3C)c(=S)n2-n2cccc2)cc1 ZINC000016807132 524166038 /nfs/dbraw/zinc/16/60/38/524166038.db2.gz HTUMIVBHEVDEJK-UHFFFAOYSA-N 0 0 467.982 4.727 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000037021528 524216994 /nfs/dbraw/zinc/21/69/94/524216994.db2.gz JOXJPDHLLDXKAQ-HZPDHXFCSA-N 0 0 467.031 4.678 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000022536521 524248988 /nfs/dbraw/zinc/24/89/88/524248988.db2.gz QDSUSVKMWKNOEE-OALUTQOASA-N 0 0 479.042 4.552 40 0 JJABRN 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524382290 /nfs/dbraw/zinc/38/22/90/524382290.db2.gz DVBKDVMNBHTTLD-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506439 524401765 /nfs/dbraw/zinc/40/17/65/524401765.db2.gz NUPIWMOJUBUKAC-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020460383 524427967 /nfs/dbraw/zinc/42/79/67/524427967.db2.gz ASADUXMXGKZHCO-UHFFFAOYSA-N 0 0 480.630 4.981 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000044900325 524428354 /nfs/dbraw/zinc/42/83/54/524428354.db2.gz NLHXARMEDBZDNZ-UHFFFAOYSA-N 0 0 496.673 4.588 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000022429350 524428611 /nfs/dbraw/zinc/42/86/11/524428611.db2.gz CNAXZMKBIOMQDT-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430903 524429043 /nfs/dbraw/zinc/42/90/43/524429043.db2.gz 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C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022606175 525221812 /nfs/dbraw/zinc/22/18/12/525221812.db2.gz ILOWCOVSYJCBAA-CVEARBPZSA-N 0 0 456.514 4.596 40 0 JJABRN Cc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2C)[C@@H]1c1ccccc1 ZINC000012463097 525262677 /nfs/dbraw/zinc/26/26/77/525262677.db2.gz YNVDLRAHUSDKND-KGWIZABPSA-N 0 0 470.569 4.621 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 ZINC000044948667 525268304 /nfs/dbraw/zinc/26/83/04/525268304.db2.gz YEAWGTKONZVTNV-RHSMWYFYSA-N 0 0 473.397 4.552 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2)cc1C ZINC000022537392 525301835 /nfs/dbraw/zinc/30/18/35/525301835.db2.gz RFFNAMGEQLFRIQ-IBGZPJMESA-N 0 0 470.566 4.808 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537084 525302660 /nfs/dbraw/zinc/30/26/60/525302660.db2.gz NUDSYYFKGGHQID-MRXNPFEDSA-N 0 0 476.957 4.845 40 0 JJABRN 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ZINC000013674928 525503197 /nfs/dbraw/zinc/50/31/97/525503197.db2.gz BFMIHFPUHGEABV-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cccc(C)c2C)cc1 ZINC000020493511 525507007 /nfs/dbraw/zinc/50/70/07/525507007.db2.gz PFCPUKBLJZSVGW-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccccc2F)cc1 ZINC000022323860 525507730 /nfs/dbraw/zinc/50/77/30/525507730.db2.gz YKJDFNRQUUYUME-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2Cl)cc1 ZINC000022430822 525509184 /nfs/dbraw/zinc/50/91/84/525509184.db2.gz JZZOCICNUHWWGZ-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccc(Cl)cc2)cc1 ZINC000020010618 525510009 /nfs/dbraw/zinc/51/00/09/525510009.db2.gz YJXPZXXIOKTDMK-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1c(Br)cc2c(c1Br)OC[C@](CO)(Sc1ccccc1)C2=O ZINC000016249885 525525388 /nfs/dbraw/zinc/52/53/88/525525388.db2.gz 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Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c2ccccc2)cc1 ZINC000020034883 525768950 /nfs/dbraw/zinc/76/89/50/525768950.db2.gz YXFZTOSLSFIGMI-MHZLTWQESA-N 0 0 476.642 4.751 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020046270 525770123 /nfs/dbraw/zinc/77/01/23/525770123.db2.gz FHJLIAKLTPDSOT-BWKNWUBXSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3cccs3)n2)C2CCCCC2)cc1 ZINC000012470533 525871762 /nfs/dbraw/zinc/87/17/62/525871762.db2.gz FNJDTWJKPHXWSS-HSZRJFAPSA-N 0 0 494.665 4.527 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428546 525889233 /nfs/dbraw/zinc/88/92/33/525889233.db2.gz JHXVHXNQCXGGGP-SFHVURJKSA-N 0 0 487.419 4.830 40 0 JJABRN C[C@H](C(=O)N1CCC(C)CC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466566 525957172 /nfs/dbraw/zinc/95/71/72/525957172.db2.gz CTAABJKAMFSTEH-CCIZZTQPSA-N 0 0 460.703 4.769 40 0 biogenic,in-vitro JJABRN Cc1ccc([C@H](NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044905103 525966283 /nfs/dbraw/zinc/96/62/83/525966283.db2.gz RYVKSFJQPYRTDX-SQJMNOBHSA-N 0 0 450.604 4.672 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccc(F)cc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466743 526033440 /nfs/dbraw/zinc/03/34/40/526033440.db2.gz GJXGBBHDZXUNIZ-DNFKRXILSA-N 0 0 472.645 4.832 40 0 biogenic,in-vitro JJABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012141 526056266 /nfs/dbraw/zinc/05/62/66/526056266.db2.gz KLYLTKDAXIEONR-LJQANCHMSA-N 0 0 486.634 4.924 40 0 JJABRN C[C@H](C(=O)NCc1ccco1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467344 526090183 /nfs/dbraw/zinc/09/01/83/526090183.db2.gz ICZMWROTBALGCY-LYIUJUFYSA-N 0 0 485.600 4.685 40 0 biogenic,in-vitro JJABRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)CC2)cc1 ZINC000022564449 526115296 /nfs/dbraw/zinc/11/52/96/526115296.db2.gz DOSHSFANJPVMNQ-UHFFFAOYSA-N 0 0 457.574 4.592 40 0 JJABRN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000038751839 526118516 /nfs/dbraw/zinc/11/85/16/526118516.db2.gz RBRASZXHHYEKQG-CLOONOSVSA-N 0 0 464.587 4.827 40 0 JJABRN COc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 ZINC000016789203 526179994 /nfs/dbraw/zinc/17/99/94/526179994.db2.gz VKYSHOIBKVBJJL-UHFFFAOYSA-N 0 0 454.939 4.979 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000020452799 526239262 /nfs/dbraw/zinc/23/92/62/526239262.db2.gz UECZTLVWIDRVAM-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN Cc1nn(Cc2ccc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)cc2)c(C)c1Cl ZINC000028306210 526288322 /nfs/dbraw/zinc/28/83/22/526288322.db2.gz CAPVPNHXHSABGZ-UHFFFAOYSA-N 0 0 457.405 4.813 40 0 JJABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(Cl)cc45)ccc32)c1-c1ccccc1 ZINC000040391009 526313561 /nfs/dbraw/zinc/31/35/61/526313561.db2.gz WBCJFTJEGKYORU-UHFFFAOYSA-N 0 0 454.921 4.792 40 0 JJABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868793 526372193 /nfs/dbraw/zinc/37/21/93/526372193.db2.gz YMLHUQWLTNHLOD-HNNXBMFYSA-N 0 0 493.503 4.505 40 0 JJABRN c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496293 526497624 /nfs/dbraw/zinc/49/76/24/526497624.db2.gz XNNQHMCBSFEMFQ-HSZRJFAPSA-N 0 0 459.623 4.700 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020451558 526537737 /nfs/dbraw/zinc/53/77/37/526537737.db2.gz RAAKGQGLAWZNAV-NDEPHWFRSA-N 0 0 490.669 4.890 40 0 JJABRN c1csc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000020098320 526587509 /nfs/dbraw/zinc/58/75/09/526587509.db2.gz IMPGZDABPXUFHX-OAQYLSRUSA-N 0 0 465.652 4.761 40 0 aggregator JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F ZINC000020010905 526693606 /nfs/dbraw/zinc/69/36/06/526693606.db2.gz CYBZVVZDAGMYLB-UHFFFAOYSA-N 0 0 487.366 4.689 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000016491305 526694288 /nfs/dbraw/zinc/69/42/88/526694288.db2.gz HIQQMTLOIIMZIA-UHFFFAOYSA-N 0 0 455.407 4.633 40 0 JJABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl ZINC000016479132 526697776 /nfs/dbraw/zinc/69/77/76/526697776.db2.gz RKXGELUBUKQYHN-UHFFFAOYSA-N 0 0 477.413 4.543 40 0 JJABRN O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044949439 526702430 /nfs/dbraw/zinc/70/24/30/526702430.db2.gz GHRBDLHCGVOHBD-JXMROGBWSA-N 0 0 496.032 4.612 40 0 JJABRN O=C(CN1C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000016776878 526721497 /nfs/dbraw/zinc/72/14/97/526721497.db2.gz MRDRTSALNIDSIP-UDWIEESQSA-N 0 0 476.941 4.926 40 0 JJABRN O=C(C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000008767266 526796679 /nfs/dbraw/zinc/79/66/79/526796679.db2.gz VXXMGMRCFSRMDA-WBADGQHESA-N 0 0 490.346 4.755 40 0 JJABRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000008739415 526797440 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ZINC000006289398 554527745 /nfs/dbraw/zinc/52/77/45/554527745.db2.gz OPMAWUKXXKGTMR-UHFFFAOYSA-N 0 0 481.533 4.776 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)c2C(N)=O)C1 ZINC000006298950 554529157 /nfs/dbraw/zinc/52/91/57/554529157.db2.gz VTUQDOVFDFFFBX-LLVKDONJSA-N 0 0 458.008 4.905 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccs3)S(=O)(=O)c3c4nsnc4ccc3C)c(=O)[nH]c2c1 ZINC000006409761 554535088 /nfs/dbraw/zinc/53/50/88/554535088.db2.gz UQYVWVILEHNGIH-UHFFFAOYSA-N 0 0 496.639 4.602 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)c(=O)[nH]c2c1C ZINC000006441852 554536186 /nfs/dbraw/zinc/53/61/86/554536186.db2.gz IJDBJUJRNCXJMZ-GKVSMKOHSA-N 0 0 454.578 4.787 40 0 JJABRN O=c1[nH]c2cc3c(cc2cc1CN(C(=S)Nc1ccc(F)cc1)C1CCCCC1)OCO3 ZINC000006445578 554539961 /nfs/dbraw/zinc/53/99/61/554539961.db2.gz WFSYKDMUWTXFQF-UHFFFAOYSA-N 0 0 453.539 4.928 40 0 JJABRN CCC(=O)Nc1cccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)c1 ZINC000006461946 554542727 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GTKYAGRGONRECK-UHFFFAOYSA-N 0 0 471.648 4.585 40 0 JJABRN CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000006878336 554559549 /nfs/dbraw/zinc/55/95/49/554559549.db2.gz HDBBFYMOOSPTEN-UHFFFAOYSA-N 0 0 466.394 4.956 40 0 JJABRN O=C(c1ccc2c(c1)OCO2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccc(C(F)(F)F)c3)ccc12 ZINC000008300249 554565639 /nfs/dbraw/zinc/56/56/39/554565639.db2.gz RMPMXOWRTKLZGQ-MAUKXSAKSA-N 0 0 482.458 4.522 40 0 biogenic,in-vitro JJABRN O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccc(C(F)(F)F)c3)ccc12 ZINC000008300250 554565674 /nfs/dbraw/zinc/56/56/74/554565674.db2.gz PWXNWBOYJBNWNG-MAUKXSAKSA-N 0 0 456.439 4.933 40 0 biogenic,in-vitro JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(C)cc2)C1=O ZINC000008741557 554644033 /nfs/dbraw/zinc/64/40/33/554644033.db2.gz NYMXESZBJXQADW-ZLNRFVROSA-N 0 0 490.581 4.901 40 0 JJABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1 ZINC000008810567 554691003 /nfs/dbraw/zinc/69/10/03/554691003.db2.gz MWPYMIMXBCKPTB-UHFFFAOYSA-N 0 0 497.331 4.972 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000008831232 554721564 /nfs/dbraw/zinc/72/15/64/554721564.db2.gz LMXSPKVIXHEGOQ-UHFFFAOYSA-N 0 0 463.538 4.784 40 0 JJABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000008831236 554721602 /nfs/dbraw/zinc/72/16/02/554721602.db2.gz DGUVDMDNDKDBCR-UHFFFAOYSA-N 0 0 463.538 4.782 40 0 JJABRN COc1ccccc1C(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000008831215 554721654 /nfs/dbraw/zinc/72/16/54/554721654.db2.gz DRHQJZZBQIDRKG-UHFFFAOYSA-N 0 0 459.575 4.988 40 0 JJABRN CCCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000008831697 554723325 /nfs/dbraw/zinc/72/33/25/554723325.db2.gz CCZNZRTYSSTYEQ-UHFFFAOYSA-N 0 0 473.042 4.696 40 0 JJABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Br)cc3)c2C(N)=O)C1 ZINC000008832444 554726808 /nfs/dbraw/zinc/72/68/08/554726808.db2.gz CEGLLOCXLCNIKI-LBPRGKRZSA-N 0 0 465.413 4.778 40 0 JJABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 ZINC000008832584 554727205 /nfs/dbraw/zinc/72/72/05/554727205.db2.gz RWCDOWJXIUNOAB-UHFFFAOYSA-N 0 0 463.965 4.953 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1Cl ZINC000008832758 554728148 /nfs/dbraw/zinc/72/81/48/554728148.db2.gz RCNCMFFHGKPLSC-UHFFFAOYSA-N 0 0 487.010 4.649 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)nn12 ZINC000008832814 554728393 /nfs/dbraw/zinc/72/83/93/554728393.db2.gz YSRYYHCKSIOQDC-VQHVLOKHSA-N 0 0 489.413 4.994 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(OCc2ccccc2)c1 ZINC000008832931 554728900 /nfs/dbraw/zinc/72/89/00/554728900.db2.gz NENUJSVEBVDUKA-UHFFFAOYSA-N 0 0 482.005 4.882 40 0 JJABRN CCc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000008832974 554729047 /nfs/dbraw/zinc/72/90/47/554729047.db2.gz AHPSWKDLIVYFGZ-UHFFFAOYSA-N 0 0 488.201 4.615 40 0 JJABRN O=C(NC(=S)Nc1ccccc1I)c1cccc(OCc2ccccc2)c1 ZINC000008832962 554729087 /nfs/dbraw/zinc/72/90/87/554729087.db2.gz IEHOSINONGSPTD-UHFFFAOYSA-N 0 0 488.350 4.997 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000008833043 554729433 /nfs/dbraw/zinc/72/94/33/554729433.db2.gz FCGOGLXTLDXMJS-UHFFFAOYSA-N 0 0 488.363 4.738 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000008833047 554729451 /nfs/dbraw/zinc/72/94/51/554729451.db2.gz ABEBCSWVEJPKKG-UHFFFAOYSA-N 0 0 488.363 4.738 40 0 JJABRN COc1cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc(OC)c1OC ZINC000008833318 554730793 /nfs/dbraw/zinc/73/07/93/554730793.db2.gz PALYJIQQOFANII-UHFFFAOYSA-N 0 0 493.541 4.661 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000008835697 554734997 /nfs/dbraw/zinc/73/49/97/554734997.db2.gz LZEGAPCDJSYRPR-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(I)cc3)cc2)CC1 ZINC000008835806 554735136 /nfs/dbraw/zinc/73/51/36/554735136.db2.gz GARLFAKOOWTOAX-UHFFFAOYSA-N 0 0 479.387 4.654 40 0 JJABRN CCN1c2ccc(S(=O)(=O)N(C(C)=O)c3ccc4oc(C)c(C(C)=O)c4c3)c3cccc(c23)C1=O ZINC000008870439 554765451 /nfs/dbraw/zinc/76/54/51/554765451.db2.gz QTDUCVKHGOADIL-UHFFFAOYSA-N 0 0 490.537 4.819 40 0 JJABRN CCN1c2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CCC5)c3cccc(c23)C1=O ZINC000008870471 554765665 /nfs/dbraw/zinc/76/56/65/554765665.db2.gz KXDUFJNWGMVNNZ-UHFFFAOYSA-N 0 0 460.511 4.886 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000008896510 554786376 /nfs/dbraw/zinc/78/63/76/554786376.db2.gz NBPUYTAJNYWDNV-LBPRGKRZSA-N 0 0 480.055 4.787 40 0 JJABRN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1F ZINC000008896925 554787048 /nfs/dbraw/zinc/78/70/48/554787048.db2.gz ZREZYAZHEMAWKN-UHFFFAOYSA-N 0 0 496.995 4.568 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1Cl ZINC000008902146 554796133 /nfs/dbraw/zinc/79/61/33/554796133.db2.gz RCGJIIRNOPTEPZ-UHFFFAOYSA-N 0 0 474.344 4.810 40 0 JJABRN CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OCC)c3)sc2c1 ZINC000008903320 554797481 /nfs/dbraw/zinc/79/74/81/554797481.db2.gz PZWPWAFXYZVLKR-UHFFFAOYSA-N 0 0 457.577 4.779 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3cccc(C)c3)o1)CCCC2 ZINC000008924420 554821596 /nfs/dbraw/zinc/82/15/96/554821596.db2.gz FMKPLHKPVNWZBC-UHFFFAOYSA-N 0 0 457.577 4.893 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000008994864 554854981 /nfs/dbraw/zinc/85/49/81/554854981.db2.gz QLNFZXIOWBUEST-SANMLTNESA-N 0 0 488.588 4.504 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCC2)cc1 ZINC000008995006 554855390 /nfs/dbraw/zinc/85/53/90/554855390.db2.gz XWDTYWYEXFRKPQ-HHHXNRCGSA-N 0 0 476.621 4.680 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008995025 554855426 /nfs/dbraw/zinc/85/54/26/554855426.db2.gz QUUYEXNWLUXWNU-HHHXNRCGSA-N 0 0 490.604 4.634 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cc(Cl)ccc1Cl ZINC000009055708 554873880 /nfs/dbraw/zinc/87/38/80/554873880.db2.gz DYPDAHSZTCMDBF-UHFFFAOYSA-N 0 0 469.280 4.590 40 0 JJABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(I)cc1 ZINC000009061638 554879250 /nfs/dbraw/zinc/87/92/50/554879250.db2.gz IEJNTAMNSCMNHX-UHFFFAOYSA-N 0 0 453.667 4.566 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009063774 554881706 /nfs/dbraw/zinc/88/17/06/554881706.db2.gz SPPJHIVJKMCOJN-UHFFFAOYSA-N 0 0 480.586 4.701 40 0 JJABRN CCc1ccccc1NC(=S)NC(=O)c1cc(Br)cc(Br)c1OC ZINC000009064639 554882863 /nfs/dbraw/zinc/88/28/63/554882863.db2.gz QAISTMHNPONYDD-UHFFFAOYSA-N 0 0 472.202 4.909 40 0 JJABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000009064769 554883623 /nfs/dbraw/zinc/88/36/23/554883623.db2.gz WEVHIUSVUCCZCQ-UHFFFAOYSA-N 0 0 465.316 4.568 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c(F)c1F ZINC000009064832 554883757 /nfs/dbraw/zinc/88/37/57/554883757.db2.gz KQDPAJALLOWZQW-UHFFFAOYSA-N 0 0 465.266 4.758 40 0 JJABRN COc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000009075592 554886702 /nfs/dbraw/zinc/88/67/02/554886702.db2.gz NXNRZMZYTUWXGY-CYXNTTPDSA-N 0 0 450.494 4.900 40 0 JJABRN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccn2)[C@@]12c1ccccc1NC2=O ZINC000009089999 554890949 /nfs/dbraw/zinc/89/09/49/554890949.db2.gz ZFCHLXCDLKDYCG-ZGQJUUMOSA-N 0 0 491.591 4.978 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000009191863 554964235 /nfs/dbraw/zinc/96/42/35/554964235.db2.gz OTSSZYWKUPHQGU-VYCLJVNGSA-N 0 0 452.595 4.627 40 0 JJABRN O=C(CSc1nnc(-c2ccc(I)cc2)o1)Nc1cccc(Cl)c1 ZINC000009200301 554972024 /nfs/dbraw/zinc/97/20/24/554972024.db2.gz DVOMWEMKHHSTLW-UHFFFAOYSA-N 0 0 471.707 4.725 40 0 JJABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215856 554983677 /nfs/dbraw/zinc/98/36/77/554983677.db2.gz FTTAMGFTVMVPRQ-YNJKOYDBSA-N 0 0 458.986 4.664 40 0 JJABRN CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009232342 555004597 /nfs/dbraw/zinc/00/45/97/555004597.db2.gz IGAXZLKMGYDTBM-QAPCUYQASA-N 0 0 458.352 4.742 40 0 JJABRN CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Br)c3)C2=O)c1 ZINC000009280817 555049502 /nfs/dbraw/zinc/04/95/02/555049502.db2.gz HNZPIYWRPAOGKF-ZLNRFVROSA-N 0 0 491.341 4.703 40 0 JJABRN CC(C)COC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000009301910 555074997 /nfs/dbraw/zinc/07/49/97/555074997.db2.gz JGZLOKHVEFRYGO-YKAGIRRDSA-N 0 0 464.971 4.677 40 0 JJABRN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4C=Cc5ccccc5[C@@H]34)C2O)cc1 ZINC000009348928 555115195 /nfs/dbraw/zinc/11/51/95/555115195.db2.gz MBMCJINPCOYADB-XPGKHFPBSA-N 0 0 496.950 4.941 40 0 JJABRN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)cc1 ZINC000009382174 555146533 /nfs/dbraw/zinc/14/65/33/555146533.db2.gz BDVQARAQLZJHQO-HXUWFJFHSA-N 0 0 457.552 4.640 40 0 JJABRN O=C(COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000009425931 555190832 /nfs/dbraw/zinc/19/08/32/555190832.db2.gz CDAUSRXLZACPNC-ZVLVQXPOSA-N 0 0 486.749 4.676 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(SC)cc3)[C@@H]2C1=O ZINC000009499834 555284496 /nfs/dbraw/zinc/28/44/96/555284496.db2.gz MCDHGROHRRBXPD-VXNXHJTFSA-N 0 0 460.555 4.858 40 0 JJABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1cccc(Br)c1 ZINC000009535934 555329664 /nfs/dbraw/zinc/32/96/64/555329664.db2.gz FOFPHXRLJSLGFY-GOSISDBHSA-N 0 0 491.386 4.757 40 0 JJABRN COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(Br)cc1 ZINC000009559346 555354093 /nfs/dbraw/zinc/35/40/93/555354093.db2.gz CIRJGZZOMXFOPR-RDTXWAMCSA-N 0 0 468.145 4.990 40 0 JJABRN COc1ccc(-c2ocnc2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013150554 555355946 /nfs/dbraw/zinc/35/59/46/555355946.db2.gz NGRYFJUARYBAHQ-UHFFFAOYSA-N 0 0 453.542 4.898 40 0 JJABRN COc1ccc(C(=O)n2nc(-c3ccccc3)nc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013387920 555393899 /nfs/dbraw/zinc/39/38/99/555393899.db2.gz QSGZBCHQDZEEPI-UHFFFAOYSA-N 0 0 472.570 4.990 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)sc1NC(=O)c1ccco1 ZINC000013388502 555394114 /nfs/dbraw/zinc/39/41/14/555394114.db2.gz MDWUFLVMTRKKGI-UHFFFAOYSA-N 0 0 452.410 4.960 40 0 JJABRN O=C(NC1CCCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc32)CC1 ZINC000013471129 555402476 /nfs/dbraw/zinc/40/24/76/555402476.db2.gz LIJQGGCOEZGCAD-UHFFFAOYSA-N 0 0 457.003 4.571 40 0 JJABRN CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(=O)c1ccccc1C ZINC000013471682 555402496 /nfs/dbraw/zinc/40/24/96/555402496.db2.gz QHVDGRJOWKKEIQ-KRWDZBQOSA-N 0 0 457.596 4.510 40 0 JJABRN CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(=O)c1cccc(C)c1 ZINC000013471686 555402516 /nfs/dbraw/zinc/40/25/16/555402516.db2.gz MUOZHNMMWBGHDP-SFHVURJKSA-N 0 0 457.596 4.510 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494537 555405005 /nfs/dbraw/zinc/40/50/05/555405005.db2.gz LNHIZRUTPAWACR-XMMPIXPASA-N 0 0 458.610 4.774 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495282 555407240 /nfs/dbraw/zinc/40/72/40/555407240.db2.gz HWEKMNBGZIQNDX-VWLOTQADSA-N 0 0 497.578 4.559 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495617 555408588 /nfs/dbraw/zinc/40/85/88/555408588.db2.gz IQOBKQJBHHROAQ-SANMLTNESA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495660 555408737 /nfs/dbraw/zinc/40/87/37/555408737.db2.gz OKSOYJWZIXXASQ-HSZRJFAPSA-N 0 0 472.549 4.519 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495650 555408807 /nfs/dbraw/zinc/40/88/07/555408807.db2.gz KGRKFYGUYNXAMP-VWLOTQADSA-N 0 0 482.588 4.926 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495882 555409807 /nfs/dbraw/zinc/40/98/07/555409807.db2.gz YQPJSRLSPYCFGV-AREMUKBSSA-N 0 0 496.615 4.969 40 0 JJABRN CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496426 555411749 /nfs/dbraw/zinc/41/17/49/555411749.db2.gz JOVHAWGRLORHBV-FQEVSTJZSA-N 0 0 468.030 4.603 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000013496430 555411767 /nfs/dbraw/zinc/41/17/67/555411767.db2.gz VAIGKUFTFRWBCY-NRFANRHFSA-N 0 0 482.057 4.993 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000013497579 555413974 /nfs/dbraw/zinc/41/39/74/555413974.db2.gz YHXSFBDWQCHBBD-XMMPIXPASA-N 0 0 480.586 4.812 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013497576 555414011 /nfs/dbraw/zinc/41/40/11/555414011.db2.gz NVBUDPSWCFSANT-DEOSSOPVSA-N 0 0 480.586 4.812 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013498369 555420110 /nfs/dbraw/zinc/42/01/10/555420110.db2.gz BSKDPCSRQNGYJS-RUZDIDTESA-N 0 0 476.598 4.911 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498483 555421318 /nfs/dbraw/zinc/42/13/18/555421318.db2.gz TWAYRPCPDWIIEY-DEOSSOPVSA-N 0 0 458.610 4.978 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498578 555422362 /nfs/dbraw/zinc/42/23/62/555422362.db2.gz UGCONAQBIGCMAP-SANMLTNESA-N 0 0 482.588 4.864 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499120 555428496 /nfs/dbraw/zinc/42/84/96/555428496.db2.gz VSCYNKAUNIAKQA-LADGPHEKSA-N 0 0 480.657 4.655 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499450 555431303 /nfs/dbraw/zinc/43/13/03/555431303.db2.gz RSYHNGGXDMIRBQ-UPVQGACJSA-N 0 0 480.657 4.799 40 0 JJABRN COc1ccc(OC)c(C(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@H](C)CC5)c1 ZINC000013499705 555434369 /nfs/dbraw/zinc/43/43/69/555434369.db2.gz BSXLEZUKGDDXND-GFCCVEGCSA-N 0 0 468.604 4.764 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(OC)cc(OC)c4)n21)CC[C@@H](C)C3 ZINC000013499833 555434918 /nfs/dbraw/zinc/43/49/18/555434918.db2.gz JRCFYPBBTWPLIB-CYBMUJFWSA-N 0 0 497.646 4.774 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4c5ccccc5C[C@@H]4C)n21)CCCC3 ZINC000013499914 555435443 /nfs/dbraw/zinc/43/54/43/555435443.db2.gz MGGNOOCYSXEJOY-AWEZNQCLSA-N 0 0 463.632 4.850 40 0 JJABRN CCOc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 ZINC000013499902 555435516 /nfs/dbraw/zinc/43/55/16/555435516.db2.gz SAAMYWSWVKJFBA-UHFFFAOYSA-N 0 0 467.620 4.910 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500424 555440154 /nfs/dbraw/zinc/44/01/54/555440154.db2.gz OZZUMOGXFHKJDN-AREMUKBSSA-N 0 0 482.588 4.864 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500456 555440576 /nfs/dbraw/zinc/44/05/76/555440576.db2.gz BCZLDYRFXPDUGH-RUZDIDTESA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500894 555445143 /nfs/dbraw/zinc/44/51/43/555445143.db2.gz KPTINNIGSLQSFT-LADGPHEKSA-N 0 0 496.656 4.581 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501106 555447333 /nfs/dbraw/zinc/44/73/33/555447333.db2.gz PPTPWRPATWURQK-XMMPIXPASA-N 0 0 474.584 4.906 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501104 555447365 /nfs/dbraw/zinc/44/73/65/555447365.db2.gz RRTRYDGLDLUVMG-XMMPIXPASA-N 0 0 456.594 4.767 40 0 JJABRN CC(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC000013501433 555449625 /nfs/dbraw/zinc/44/96/25/555449625.db2.gz CSGIMLPFYKIECN-VWLOTQADSA-N 0 0 496.970 4.892 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1 ZINC000013501466 555449860 /nfs/dbraw/zinc/44/98/60/555449860.db2.gz DXMINRQFODUFRD-SANMLTNESA-N 0 0 488.588 4.504 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013501452 555449891 /nfs/dbraw/zinc/44/98/91/555449891.db2.gz QYFJDAYFBRATJV-SANMLTNESA-N 0 0 490.579 4.937 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501760 555451233 /nfs/dbraw/zinc/45/12/33/555451233.db2.gz PJDOTXYBXOOQEO-DEOSSOPVSA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccccc2F)cc1 ZINC000013501834 555451728 /nfs/dbraw/zinc/45/17/28/555451728.db2.gz SOZPLQYBLCPGFY-QHCPKHFHSA-N 0 0 496.608 4.999 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2ccccn2)c1 ZINC000013502245 555453793 /nfs/dbraw/zinc/45/37/93/555453793.db2.gz IYPJVRMWZNKQRZ-HHHXNRCGSA-N 0 0 487.600 4.931 40 0 JJABRN COc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000013502327 555454417 /nfs/dbraw/zinc/45/44/17/555454417.db2.gz RWNIOKZACOKVPY-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COC(=O)c1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c1 ZINC000013502565 555455903 /nfs/dbraw/zinc/45/59/03/555455903.db2.gz ROWZUCRUTYYBRN-UHFFFAOYSA-N 0 0 493.614 4.613 40 0 JJABRN O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)c1ccc2c(c1)OCCO2 ZINC000013502579 555456083 /nfs/dbraw/zinc/45/60/83/555456083.db2.gz NAQKLRNMBZTCIS-UHFFFAOYSA-N 0 0 478.599 4.841 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505699 555467551 /nfs/dbraw/zinc/46/75/51/555467551.db2.gz MZQKPSPTSMOPKQ-AREMUKBSSA-N 0 0 492.551 4.674 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)no1 ZINC000013505669 555467599 /nfs/dbraw/zinc/46/75/99/555467599.db2.gz XDSDIJRUDQEPOA-AREMUKBSSA-N 0 0 492.551 4.674 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)no1 ZINC000013505723 555467863 /nfs/dbraw/zinc/46/78/63/555467863.db2.gz MCMDZATYNQGHLY-AREMUKBSSA-N 0 0 482.625 4.685 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000013505937 555468790 /nfs/dbraw/zinc/46/87/90/555468790.db2.gz XAQFYRCGXJBUDX-VWLOTQADSA-N 0 0 450.604 4.986 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013505984 555469023 /nfs/dbraw/zinc/46/90/23/555469023.db2.gz WAAYSKDGFIZILJ-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000013506053 555469594 /nfs/dbraw/zinc/46/95/94/555469594.db2.gz JOTAKPOZISKYPW-JOCHJYFZSA-N 0 0 485.993 4.558 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 ZINC000013506078 555469637 /nfs/dbraw/zinc/46/96/37/555469637.db2.gz KYUQWGLLAINHFJ-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506142 555470098 /nfs/dbraw/zinc/47/00/98/555470098.db2.gz CCDWTGMTLHSQTC-DEOSSOPVSA-N 0 0 495.670 4.935 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1F ZINC000013506147 555470105 /nfs/dbraw/zinc/47/01/05/555470105.db2.gz GWSOLCJIMLMKOY-HSZRJFAPSA-N 0 0 499.633 4.820 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1F ZINC000013506197 555470296 /nfs/dbraw/zinc/47/02/96/555470296.db2.gz UAKCKWFLNPGMMH-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013506188 555470319 /nfs/dbraw/zinc/47/03/19/555470319.db2.gz BXKMBEAAGFLIHB-SANMLTNESA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1cccs1 ZINC000013506214 555470327 /nfs/dbraw/zinc/47/03/27/555470327.db2.gz SVNPIEMAZWZFJX-DEOSSOPVSA-N 0 0 495.670 4.677 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)o1 ZINC000013506400 555471347 /nfs/dbraw/zinc/47/13/47/555471347.db2.gz YUNXNZIZHVJJGF-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506462 555471766 /nfs/dbraw/zinc/47/17/66/555471766.db2.gz SYTPDAJVCJUNTK-RUZDIDTESA-N 0 0 493.604 4.840 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1F)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506463 555471812 /nfs/dbraw/zinc/47/18/12/555471812.db2.gz SYTPDAJVCJUNTK-VWLOTQADSA-N 0 0 493.604 4.840 40 0 JJABRN O=C(NCC(=O)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccco1 ZINC000013506577 555472340 /nfs/dbraw/zinc/47/23/40/555472340.db2.gz DLWFSWXNRSDAPU-XMMPIXPASA-N 0 0 497.954 4.635 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507894 555477227 /nfs/dbraw/zinc/47/72/27/555477227.db2.gz TYAWRMTVIPGWRF-RUZDIDTESA-N 0 0 493.629 4.598 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)cc1 ZINC000013507904 555477237 /nfs/dbraw/zinc/47/72/37/555477237.db2.gz IIXIPOXBATXHSD-SANMLTNESA-N 0 0 473.573 4.541 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013507940 555477461 /nfs/dbraw/zinc/47/74/61/555477461.db2.gz IMZYKQJFQJFTPI-VWLOTQADSA-N 0 0 495.526 4.511 40 0 JJABRN CCCCc1ccc(-n2c(SCC(=O)NC3CC3)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013510012 555482045 /nfs/dbraw/zinc/48/20/45/555482045.db2.gz PROXMXQPCOBDRQ-UHFFFAOYSA-N 0 0 496.633 4.673 40 0 JJABRN COC(=O)c1ccc([C@@](F)(Br)[C@@](F)(Br)c2ccc(C(=O)OC)cc2)cc1 ZINC000013550558 555491600 /nfs/dbraw/zinc/49/16/00/555491600.db2.gz CJIOSOFCSYHVNR-HDICACEKSA-N 0 0 492.110 4.994 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](OC(=O)c2cc3sccc3n2C)c2ccc(C)cc2)cc1OC ZINC000013561526 555494672 /nfs/dbraw/zinc/49/46/72/555494672.db2.gz YVZHEROVAVFJLB-RUZDIDTESA-N 0 0 492.597 4.822 40 0 JJABRN Fc1cccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013561797 555495168 /nfs/dbraw/zinc/49/51/68/555495168.db2.gz UGXGVOOHSWXJHO-QFIPXVFZSA-N 0 0 474.506 4.858 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000013562381 555496800 /nfs/dbraw/zinc/49/68/00/555496800.db2.gz GUMILFUAKSSAND-UFYCRDLUSA-N 0 0 476.646 4.611 40 0 JJABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000013562587 555497146 /nfs/dbraw/zinc/49/71/46/555497146.db2.gz AVJQVXHSCVTFKP-ROUUACIJSA-N 0 0 496.633 4.574 40 0 JJABRN COc1cccc(N2CCN(c3c4c(nc5cc(-c6ccc(F)cc6)nn53)CCCC4)CC2)c1 ZINC000013562781 555497541 /nfs/dbraw/zinc/49/75/41/555497541.db2.gz HGTJGMXXHMEOKD-UHFFFAOYSA-N 0 0 457.553 4.749 40 0 JJABRN CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000013564619 555499438 /nfs/dbraw/zinc/49/94/38/555499438.db2.gz YODGWGNQFRKFON-UHFFFAOYSA-N 0 0 463.509 4.538 40 0 JJABRN CCSc1nnc([C@H]2CCCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565143 555501243 /nfs/dbraw/zinc/50/12/43/555501243.db2.gz VIKBHTJAKCRCMP-ZDUSSCGKSA-N 0 0 475.968 4.900 40 0 JJABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C ZINC000013565769 555502831 /nfs/dbraw/zinc/50/28/31/555502831.db2.gz VNFJODJUBGERLA-UHFFFAOYSA-N 0 0 454.640 4.868 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(C)(=O)=O ZINC000019856623 555516931 /nfs/dbraw/zinc/51/69/31/555516931.db2.gz WFBNPGJBHDZGRJ-UHFFFAOYSA-N 0 0 474.966 4.854 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000019856626 555516964 /nfs/dbraw/zinc/51/69/64/555516964.db2.gz QSKKEPASWQHTPC-UHFFFAOYSA-N 0 0 452.429 4.679 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000019856922 555517970 /nfs/dbraw/zinc/51/79/70/555517970.db2.gz BBHJVCOVWSHFBF-UHFFFAOYSA-N 0 0 462.615 4.915 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856976 555518236 /nfs/dbraw/zinc/51/82/36/555518236.db2.gz MABWYEKLUAKWMG-IBGZPJMESA-N 0 0 479.602 4.601 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581601 555519545 /nfs/dbraw/zinc/51/95/45/555519545.db2.gz PKKPMFAIWHKDKL-UHFFFAOYSA-N 0 0 456.486 4.531 40 0 JJABRN COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581711 555519743 /nfs/dbraw/zinc/51/97/43/555519743.db2.gz FEHCTVYDFMWZIU-UHFFFAOYSA-N 0 0 478.614 4.779 40 0 JJABRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013582423 555520186 /nfs/dbraw/zinc/52/01/86/555520186.db2.gz CWWKVNPKUFVXGT-BHIFYINESA-N 0 0 479.330 4.509 40 0 JJABRN CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584487 555522074 /nfs/dbraw/zinc/52/20/74/555522074.db2.gz IZSHLVAXOVTZBT-UHFFFAOYSA-N 0 0 467.410 4.629 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867962 555522327 /nfs/dbraw/zinc/52/23/27/555522327.db2.gz ZNUZPHMYTGGFDJ-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584943 555522909 /nfs/dbraw/zinc/52/29/09/555522909.db2.gz PWVLPLDTWCMMJX-UHFFFAOYSA-N 0 0 489.391 4.682 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)cc1 ZINC000013585117 555523115 /nfs/dbraw/zinc/52/31/15/555523115.db2.gz HYZYTCCVSGOPOV-UHFFFAOYSA-N 0 0 460.555 4.991 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000013585127 555523175 /nfs/dbraw/zinc/52/31/75/555523175.db2.gz UHEJFDPZNUSNID-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000019868995 555523630 /nfs/dbraw/zinc/52/36/30/555523630.db2.gz MZPKXPXTNKHYTH-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585355 555523735 /nfs/dbraw/zinc/52/37/35/555523735.db2.gz FPAXSQQAWMUPRE-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 ZINC000013585476 555523919 /nfs/dbraw/zinc/52/39/19/555523919.db2.gz YBBDWBLVJRNICM-UHFFFAOYSA-N 0 0 490.581 4.679 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000013585587 555523961 /nfs/dbraw/zinc/52/39/61/555523961.db2.gz FCOKNXZTAKIAQD-UHFFFAOYSA-N 0 0 485.005 4.701 40 0 JJABRN CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000013596177 555529138 /nfs/dbraw/zinc/52/91/38/555529138.db2.gz DKDJWYIQTCDQOW-UHFFFAOYSA-N 0 0 484.599 4.663 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000013612043 555534373 /nfs/dbraw/zinc/53/43/73/555534373.db2.gz COGLLNGUYVKEDD-UHFFFAOYSA-N 0 0 487.405 4.663 40 0 JJABRN C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000013612814 555535090 /nfs/dbraw/zinc/53/50/90/555535090.db2.gz WAYWOUHGUHFNJK-KBMIEXCESA-N 0 0 478.614 4.818 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000013631889 555541597 /nfs/dbraw/zinc/54/15/97/555541597.db2.gz CFYDQZKMENTSNM-KRWDZBQOSA-N 0 0 470.978 4.522 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1C ZINC000013632356 555542196 /nfs/dbraw/zinc/54/21/96/555542196.db2.gz KIROYFLRXQXEHB-DEOSSOPVSA-N 0 0 464.543 4.791 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000013632803 555542557 /nfs/dbraw/zinc/54/25/57/555542557.db2.gz WVYFNGZJOKRHNS-VWLOTQADSA-N 0 0 460.555 4.542 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000019927826 555542799 /nfs/dbraw/zinc/54/27/99/555542799.db2.gz LHOGVXVDSWZUCI-UHFFFAOYSA-N 0 0 457.275 4.984 40 0 JJABRN COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1C ZINC000013635781 555545085 /nfs/dbraw/zinc/54/50/85/555545085.db2.gz LWTMYGAKBZAYSM-UHFFFAOYSA-N 0 0 466.339 4.740 40 0 JJABRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1Br ZINC000019929095 555545316 /nfs/dbraw/zinc/54/53/16/555545316.db2.gz ZVDDLXBPMFHVSK-UHFFFAOYSA-N 0 0 454.733 4.795 40 0 JJABRN CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930331 555547472 /nfs/dbraw/zinc/54/74/72/555547472.db2.gz SKTCJMAYNKMSDT-UHFFFAOYSA-N 0 0 485.311 4.670 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019930980 555548298 /nfs/dbraw/zinc/54/82/98/555548298.db2.gz FRAIWFCSMCJMNK-HXOBKFHXSA-N 0 0 489.062 4.829 40 0 JJABRN O=C(Nc1cc(F)ccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931222 555548628 /nfs/dbraw/zinc/54/86/28/555548628.db2.gz LPFWDBVSUXIKPC-IBGZPJMESA-N 0 0 485.339 4.800 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(C)c1 ZINC000019931596 555549213 /nfs/dbraw/zinc/54/92/13/555549213.db2.gz YHAGDAREUZHCGJ-IBGZPJMESA-N 0 0 454.567 4.900 40 0 JJABRN CN(C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000019932397 555549678 /nfs/dbraw/zinc/54/96/78/555549678.db2.gz CQYXGWSFIQCUOR-UHFFFAOYSA-N 0 0 455.407 4.980 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013645909 555550483 /nfs/dbraw/zinc/55/04/83/555550483.db2.gz AGDDBYQGXCBSQI-UHFFFAOYSA-N 0 0 479.042 4.666 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019934120 555551263 /nfs/dbraw/zinc/55/12/63/555551263.db2.gz ANALRESXTISXFQ-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019934431 555551898 /nfs/dbraw/zinc/55/18/98/555551898.db2.gz OODWDYSQTTVRFE-DEOSSOPVSA-N 0 0 493.069 4.794 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000013648259 555552678 /nfs/dbraw/zinc/55/26/78/555552678.db2.gz BUQKIYYQFLBUQH-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935713 555552995 /nfs/dbraw/zinc/55/29/95/555552995.db2.gz MKMVZLIMKMTWPV-UHFFFAOYSA-N 0 0 486.952 4.747 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013649064 555553523 /nfs/dbraw/zinc/55/35/23/555553523.db2.gz CNXOEWSYGSFWLY-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(OC)c(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936081 555553756 /nfs/dbraw/zinc/55/37/56/555553756.db2.gz YAGSORWIFGCTGK-JOCHJYFZSA-N 0 0 488.993 4.748 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000019937984 555555214 /nfs/dbraw/zinc/55/52/14/555555214.db2.gz JIJMHVOQHKVJGN-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938037 555555487 /nfs/dbraw/zinc/55/54/87/555555487.db2.gz LJRMIYXXABGQOU-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000013668782 555558061 /nfs/dbraw/zinc/55/80/61/555558061.db2.gz DCRTWJQHXOMIFW-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 ZINC000013668965 555558367 /nfs/dbraw/zinc/55/83/67/555558367.db2.gz UAGMNUMFPCGBNW-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000013669331 555558992 /nfs/dbraw/zinc/55/89/92/555558992.db2.gz BXBQZHOHWSFWSV-UHFFFAOYSA-N 0 0 487.021 4.683 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013669263 555559007 /nfs/dbraw/zinc/55/90/07/555559007.db2.gz UPNKZXYOVXWERP-UHFFFAOYSA-N 0 0 485.046 4.707 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C)cc2C)cc1 ZINC000013669204 555559023 /nfs/dbraw/zinc/55/90/23/555559023.db2.gz KNJUJRSDOYOPJE-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)cc12 ZINC000019940866 555559488 /nfs/dbraw/zinc/55/94/88/555559488.db2.gz DTCBMVBRSBPUJO-HHHXNRCGSA-N 0 0 497.647 4.548 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)cc12 ZINC000019940867 555559508 /nfs/dbraw/zinc/55/95/08/555559508.db2.gz DTCBMVBRSBPUJO-MHZLTWQESA-N 0 0 497.647 4.548 40 0 JJABRN Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940940 555559509 /nfs/dbraw/zinc/55/95/09/555559509.db2.gz FARFBGPMILNJSH-HHHXNRCGSA-N 0 0 497.647 4.548 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000013670183 555560818 /nfs/dbraw/zinc/56/08/18/555560818.db2.gz RKNSPNICNSXKGN-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1C ZINC000013670973 555562089 /nfs/dbraw/zinc/56/20/89/555562089.db2.gz MRWFOUZYEVXDFE-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)C1 ZINC000013671608 555563238 /nfs/dbraw/zinc/56/32/38/555563238.db2.gz DECGODGHUVUZRD-OAHLLOKOSA-N 0 0 474.932 4.813 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1C ZINC000019946907 555563414 /nfs/dbraw/zinc/56/34/14/555563414.db2.gz NSTIBCDSABAVIT-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013672078 555563853 /nfs/dbraw/zinc/56/38/53/555563853.db2.gz QESWGPDTOIYFMP-SANMLTNESA-N 0 0 464.587 4.815 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013673530 555565234 /nfs/dbraw/zinc/56/52/34/555565234.db2.gz MVNZOBIPLHJXCZ-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000013674611 555566014 /nfs/dbraw/zinc/56/60/14/555566014.db2.gz PAKZFVKMZOPCLV-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000013674980 555566347 /nfs/dbraw/zinc/56/63/47/555566347.db2.gz UGKZDDRRBGTHRO-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013675800 555566883 /nfs/dbraw/zinc/56/68/83/555566883.db2.gz YPKBYHIFAYZANE-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1C ZINC000013676136 555567186 /nfs/dbraw/zinc/56/71/86/555567186.db2.gz MEMDAGSNWIIDDJ-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000013676210 555567240 /nfs/dbraw/zinc/56/72/40/555567240.db2.gz JRDHOGITDISLFO-UHFFFAOYSA-N 0 0 452.576 4.921 40 0 JJABRN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677465 555568334 /nfs/dbraw/zinc/56/83/34/555568334.db2.gz BEQXWJNBYIGQKE-WMVQRKQLSA-N 0 0 485.477 4.620 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000013677436 555568415 /nfs/dbraw/zinc/56/84/15/555568415.db2.gz XQABDZFEECAEHM-UHFFFAOYSA-N 0 0 481.064 4.890 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677694 555568625 /nfs/dbraw/zinc/56/86/25/555568625.db2.gz ZKUHERSXSZQYPI-GFCCVEGCSA-N 0 0 479.788 4.966 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)c1cccc(NS(=O)(=O)c3ccc(C)cc3)c1)CCCC2 ZINC000013678781 555570153 /nfs/dbraw/zinc/57/01/53/555570153.db2.gz CRQNADAFWZAZAQ-UHFFFAOYSA-N 0 0 484.599 4.775 40 0 JJABRN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1C ZINC000013679744 555571673 /nfs/dbraw/zinc/57/16/73/555571673.db2.gz HTDXJBWEIUWIKJ-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN CSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680252 555572682 /nfs/dbraw/zinc/57/26/82/555572682.db2.gz FDAAEOBHYYPFTK-AWEZNQCLSA-N 0 0 473.447 4.896 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c2C)cc1 ZINC000013680755 555573295 /nfs/dbraw/zinc/57/32/95/555573295.db2.gz DIAYANNSAWPYGM-UHFFFAOYSA-N 0 0 491.613 4.983 40 0 JJABRN O=C(Nc1ccc2ccccc2c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681404 555574401 /nfs/dbraw/zinc/57/44/01/555574401.db2.gz GWBTWGQSQLEJIM-RUZDIDTESA-N 0 0 458.539 4.576 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681811 555575305 /nfs/dbraw/zinc/57/53/05/555575305.db2.gz DWNCIIGZMOAGQY-DEOSSOPVSA-N 0 0 464.587 4.855 40 0 JJABRN CC(C)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681841 555575307 /nfs/dbraw/zinc/57/53/07/555575307.db2.gz WDXWZQHCQJHXNB-DEOSSOPVSA-N 0 0 450.560 4.546 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)S(C)(=O)=O)c1 ZINC000013682464 555575918 /nfs/dbraw/zinc/57/59/18/555575918.db2.gz JMWYUWHCBWPFGR-UHFFFAOYSA-N 0 0 498.048 4.577 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccccc2)sc2c3CCCC2)cc1 ZINC000019996679 555577073 /nfs/dbraw/zinc/57/70/73/555577073.db2.gz GCPCUUBQHWUSPH-UHFFFAOYSA-N 0 0 472.570 4.601 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)cc1 ZINC000009974170 555577619 /nfs/dbraw/zinc/57/76/19/555577619.db2.gz POBHHDTVTNQCQQ-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000020004401 555577707 /nfs/dbraw/zinc/57/77/07/555577707.db2.gz NRQQJDHKKSRSBO-XMMPIXPASA-N 0 0 450.604 4.757 40 0 JJABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(Br)c1 ZINC000013683930 555577876 /nfs/dbraw/zinc/57/78/76/555577876.db2.gz DUAUWHLOLNKMBP-UHFFFAOYSA-N 0 0 482.378 4.915 40 0 JJABRN CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2C[C@]4(C)C[C@H]2CC(C)(C)C4)cn3C2CC2)CC1 ZINC000013683866 555577885 /nfs/dbraw/zinc/57/78/85/555577885.db2.gz MQTIADBPPCCQMI-ACSYHNTCSA-N 0 0 494.655 4.658 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2cc(C)cc(C)c2C)cc1OC ZINC000013684580 555578533 /nfs/dbraw/zinc/57/85/33/555578533.db2.gz NVGGCVLMCCWFCF-UHFFFAOYSA-N 0 0 476.573 4.619 40 0 JJABRN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000020004697 555578639 /nfs/dbraw/zinc/57/86/39/555578639.db2.gz WLRAPXOPJBIECJ-QHCPKHFHSA-N 0 0 468.644 4.862 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)c(C)c1 ZINC000020004995 555579293 /nfs/dbraw/zinc/57/92/93/555579293.db2.gz CEQPVHYZDQIJRF-HXUWFJFHSA-N 0 0 476.520 4.557 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1C ZINC000009974539 555579395 /nfs/dbraw/zinc/57/93/95/555579395.db2.gz PGTXBJDFPCQVHV-CQSZACIVSA-N 0 0 490.931 4.715 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013685955 555579452 /nfs/dbraw/zinc/57/94/52/555579452.db2.gz WYKBQSTYXLKJNJ-QFIPXVFZSA-N 0 0 492.041 4.586 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687792 555581029 /nfs/dbraw/zinc/58/10/29/555581029.db2.gz BDIPJVSQGBFXHY-UHFFFAOYSA-N 0 0 470.978 4.956 40 0 JJABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687826 555581086 /nfs/dbraw/zinc/58/10/86/555581086.db2.gz OOZNTRXKCWJGNC-UHFFFAOYSA-N 0 0 455.894 4.975 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020007299 555581862 /nfs/dbraw/zinc/58/18/62/555581862.db2.gz VCMJCYCXTAOUID-XMMPIXPASA-N 0 0 480.630 4.875 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000013688609 555581931 /nfs/dbraw/zinc/58/19/31/555581931.db2.gz YCQHAFJLYYYTKH-UHFFFAOYSA-N 0 0 454.617 4.855 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007881 555582506 /nfs/dbraw/zinc/58/25/06/555582506.db2.gz FIMBYRYKDUHUHK-FQEVSTJZSA-N 0 0 467.349 4.661 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000020008865 555583629 /nfs/dbraw/zinc/58/36/29/555583629.db2.gz JNRFYGDZZALMGY-NRFANRHFSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000020008834 555583682 /nfs/dbraw/zinc/58/36/82/555583682.db2.gz ZXMHVRROSZFJGK-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000020009625 555585276 /nfs/dbraw/zinc/58/52/76/555585276.db2.gz ODPCNVYPYNVEFG-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000020009799 555585563 /nfs/dbraw/zinc/58/55/63/555585563.db2.gz ZGHMTBAIXWDLNZ-FQEVSTJZSA-N 0 0 491.034 4.599 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020010197 555586139 /nfs/dbraw/zinc/58/61/39/555586139.db2.gz BZRQXYSTTYSWKP-FQEVSTJZSA-N 0 0 468.644 4.519 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C2CCCCC2)cc1 ZINC000020010483 555586503 /nfs/dbraw/zinc/58/65/03/555586503.db2.gz ZVCUGYDQDQETPC-SFHVURJKSA-N 0 0 493.467 4.958 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020011038 555587008 /nfs/dbraw/zinc/58/70/08/555587008.db2.gz HISGPVNZLYJNAX-QGZVFWFLSA-N 0 0 464.628 4.748 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011847 555588142 /nfs/dbraw/zinc/58/81/42/555588142.db2.gz KXVNBOWCNQRAES-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc2F)cc1 ZINC000020012127 555588378 /nfs/dbraw/zinc/58/83/78/555588378.db2.gz WRPASNPDKIZWKZ-RUZDIDTESA-N 0 0 466.578 4.519 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2c(F)cccc2Cl)cc1 ZINC000020012230 555588410 /nfs/dbraw/zinc/58/84/10/555588410.db2.gz REPIETLBLBKSAC-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013709381 555588825 /nfs/dbraw/zinc/58/88/25/555588825.db2.gz ONPGEFPWOCUDKU-LJQANCHMSA-N 0 0 452.576 4.811 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020012768 555589115 /nfs/dbraw/zinc/58/91/15/555589115.db2.gz QYJZDWSJGAGCAZ-JOCHJYFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013457 555589361 /nfs/dbraw/zinc/58/93/61/555589361.db2.gz RBVOZNWPOQKFTA-OAQYLSRUSA-N 0 0 472.651 4.821 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2)cc1C ZINC000020013805 555589952 /nfs/dbraw/zinc/58/99/52/555589952.db2.gz RFQNTOOWEVTKRZ-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010002032 555590365 /nfs/dbraw/zinc/59/03/65/555590365.db2.gz BADCVYWGPXNDBU-DEDYPNTBSA-N 0 0 461.445 4.797 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C2CCCCC2)cc1 ZINC000020015498 555591730 /nfs/dbraw/zinc/59/17/30/555591730.db2.gz CVIWYWCTOLCDOM-RUZDIDTESA-N 0 0 470.635 4.603 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000020015759 555591995 /nfs/dbraw/zinc/59/19/95/555591995.db2.gz BGGXNSZUMGIGRH-HSZRJFAPSA-N 0 0 499.032 4.733 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714590 555592036 /nfs/dbraw/zinc/59/20/36/555592036.db2.gz MHKDMNSOPCFUKT-IBGZPJMESA-N 0 0 493.453 4.727 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714906 555592547 /nfs/dbraw/zinc/59/25/47/555592547.db2.gz UPOQFMXMSOINTE-JOCHJYFZSA-N 0 0 492.041 4.540 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716639 555593888 /nfs/dbraw/zinc/59/38/88/555593888.db2.gz DADXCHOWHGWLBN-GOSISDBHSA-N 0 0 473.820 4.903 40 0 JJABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013716574 555593899 /nfs/dbraw/zinc/59/38/99/555593899.db2.gz HQUHXNVSZCUEQF-LJQANCHMSA-N 0 0 492.663 4.604 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716487 555593911 /nfs/dbraw/zinc/59/39/11/555593911.db2.gz NEMYGBFXQIVKSK-NRFANRHFSA-N 0 0 487.062 4.690 40 0 JJABRN CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716785 555594386 /nfs/dbraw/zinc/59/43/86/555594386.db2.gz YWUIUKGGKILLFG-DEOSSOPVSA-N 0 0 450.604 4.754 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000020019211 555595294 /nfs/dbraw/zinc/59/52/94/555595294.db2.gz PQXMMCQEFFODFE-RTBURBONSA-N 0 0 484.643 4.704 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000020020170 555596584 /nfs/dbraw/zinc/59/65/84/555596584.db2.gz CBVWVJLTAUPNHW-UHFFFAOYSA-N 0 0 464.465 4.539 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020020255 555596852 /nfs/dbraw/zinc/59/68/52/555596852.db2.gz ZNLGPVXDPRKPIE-UHFFFAOYSA-N 0 0 482.455 4.971 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1ccc(F)c(F)c1 ZINC000020020899 555597853 /nfs/dbraw/zinc/59/78/53/555597853.db2.gz NSMAMLLHOAMXAX-UHFFFAOYSA-N 0 0 497.317 4.546 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020020732 555597877 /nfs/dbraw/zinc/59/78/77/555597877.db2.gz BFIXBLVXECVEDK-UHFFFAOYSA-N 0 0 486.418 4.802 40 0 JJABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020021052 555598166 /nfs/dbraw/zinc/59/81/66/555598166.db2.gz ILIGVKQCVHLYLS-UHFFFAOYSA-N 0 0 498.454 4.671 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020021636 555598722 /nfs/dbraw/zinc/59/87/22/555598722.db2.gz LGDHTTGMUPMGNI-QGZVFWFLSA-N 0 0 465.015 4.516 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000020023042 555600855 /nfs/dbraw/zinc/60/08/55/555600855.db2.gz RGLXKCSBYGKGRM-HNNXBMFYSA-N 0 0 483.055 4.539 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020023069 555600987 /nfs/dbraw/zinc/60/09/87/555600987.db2.gz JUFJXJPAVGRVAV-UHFFFAOYSA-N 0 0 494.894 4.736 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCCc3ccccc32)cc1)c1ccccc1 ZINC000020023836 555601716 /nfs/dbraw/zinc/60/17/16/555601716.db2.gz KVLOCBSJUZAKJJ-IBVKSMDESA-N 0 0 462.615 4.853 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000020023796 555601755 /nfs/dbraw/zinc/60/17/55/555601755.db2.gz GXLJUZQUYXWENP-WOJBJXKFSA-N 0 0 466.603 4.545 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000020024289 555602361 /nfs/dbraw/zinc/60/23/61/555602361.db2.gz CYRPFEFJMDHFJJ-IBGZPJMESA-N 0 0 452.576 4.614 40 0 JJABRN COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000010040554 555605407 /nfs/dbraw/zinc/60/54/07/555605407.db2.gz PWMIWHHBCRTMRS-ZDLGFXPLSA-N 0 0 477.856 4.641 40 0 JJABRN COc1cc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)cc(OC)c1OC ZINC000010042427 555606826 /nfs/dbraw/zinc/60/68/26/555606826.db2.gz FMYCEXLSCSLFBM-LNVKXUELSA-N 0 0 477.380 4.591 40 0 JJABRN CC(C)c1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000013749259 555608102 /nfs/dbraw/zinc/60/81/02/555608102.db2.gz WMXLXFQGTWIVQL-QWFCFKBJSA-N 0 0 458.451 4.917 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c1OC ZINC000013750883 555609589 /nfs/dbraw/zinc/60/95/89/555609589.db2.gz IJMYYCGLMIZEQX-OBDYRVMHSA-N 0 0 480.520 4.908 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000020036171 555610589 /nfs/dbraw/zinc/61/05/89/555610589.db2.gz BVTAKCWALMSBOC-JOCHJYFZSA-N 0 0 491.396 4.608 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1Cl ZINC000020036651 555610804 /nfs/dbraw/zinc/61/08/04/555610804.db2.gz QSLWFDAAEKWRIG-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020037894 555611831 /nfs/dbraw/zinc/61/18/31/555611831.db2.gz OBLMVCAMAYHNQV-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)c(OCC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013759245 555612283 /nfs/dbraw/zinc/61/22/83/555612283.db2.gz FRXKTFLXEFCHHX-ZNZIZOMTSA-N 0 0 488.540 4.631 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(Cl)c1 ZINC000020039583 555613018 /nfs/dbraw/zinc/61/30/18/555613018.db2.gz SKBMOPDNTMDHER-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000020040482 555613388 /nfs/dbraw/zinc/61/33/88/555613388.db2.gz FBVDAVCNFLKQSW-RUZDIDTESA-N 0 0 462.615 4.947 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000020040764 555613580 /nfs/dbraw/zinc/61/35/80/555613580.db2.gz KARBSDBWWHZFHF-IBGZPJMESA-N 0 0 470.566 4.524 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1OC ZINC000020041015 555613710 /nfs/dbraw/zinc/61/37/10/555613710.db2.gz BMVIVLYZNBBYDC-IVCQMTBJSA-N 0 0 466.559 4.562 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000020045670 555616580 /nfs/dbraw/zinc/61/65/80/555616580.db2.gz RLXVQPQUVCIDKV-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000013779127 555618185 /nfs/dbraw/zinc/61/81/85/555618185.db2.gz RUYGNGFUNFIVJN-QKDODKLFSA-N 0 0 486.568 4.921 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1OC ZINC000020049779 555619090 /nfs/dbraw/zinc/61/90/90/555619090.db2.gz AHBVSCUAKDWSPV-UHFFFAOYSA-N 0 0 493.006 4.889 40 0 JJABRN CC(C)C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000020050588 555619755 /nfs/dbraw/zinc/61/97/55/555619755.db2.gz ZBQUIPSEHIRACK-DEOSSOPVSA-N 0 0 454.567 4.925 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCCc1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000010110655 555620572 /nfs/dbraw/zinc/62/05/72/555620572.db2.gz WDCJUJKBZGLEMZ-UHFFFAOYSA-N 0 0 450.604 4.502 40 0 JJABRN Cc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110671 555620573 /nfs/dbraw/zinc/62/05/73/555620573.db2.gz UEQMKKYDHVWQFC-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010110653 555620615 /nfs/dbraw/zinc/62/06/15/555620615.db2.gz WVSFSJNLJVNVNL-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000010110725 555620802 /nfs/dbraw/zinc/62/08/02/555620802.db2.gz SZGNFQMRRQRALU-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000010110749 555620825 /nfs/dbraw/zinc/62/08/25/555620825.db2.gz CHWJHFOEFSTZOI-UHFFFAOYSA-N 0 0 456.995 4.836 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000010110894 555621146 /nfs/dbraw/zinc/62/11/46/555621146.db2.gz MWQAXXNNYJQQQU-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000010110980 555621436 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ZINC000010333487 555689138 /nfs/dbraw/zinc/68/91/38/555689138.db2.gz OFKBERVIRPXBJG-UHFFFAOYSA-N 0 0 479.602 4.839 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010333945 555689442 /nfs/dbraw/zinc/68/94/42/555689442.db2.gz RKPIXAAIYMDCOT-UHFFFAOYSA-N 0 0 462.930 4.706 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010335131 555690068 /nfs/dbraw/zinc/69/00/68/555690068.db2.gz MENKVEDJKCPFMK-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010338189 555692656 /nfs/dbraw/zinc/69/26/56/555692656.db2.gz VMABJNNLIZHDRB-UHFFFAOYSA-N 0 0 487.062 4.592 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000010338965 555693195 /nfs/dbraw/zinc/69/31/95/555693195.db2.gz DGNQINFVPQWHAK-UHFFFAOYSA-N 0 0 493.025 4.967 40 0 JJABRN CC(C)Oc1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010357127 555695583 /nfs/dbraw/zinc/69/55/83/555695583.db2.gz IIVIXJBBEZYLPZ-UHFFFAOYSA-N 0 0 456.539 4.831 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O ZINC000010358147 555695946 /nfs/dbraw/zinc/69/59/46/555695946.db2.gz WOUIGJVNPZHNGN-HNNXBMFYSA-N 0 0 475.463 4.506 40 0 JJABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(I)cc3)o2)cc1C ZINC000020196880 555696125 /nfs/dbraw/zinc/69/61/25/555696125.db2.gz RRPDTEHCWQPUJI-UHFFFAOYSA-N 0 0 479.343 4.613 40 0 JJABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(I)c3)o2)c1 ZINC000020197005 555696415 /nfs/dbraw/zinc/69/64/15/555696415.db2.gz ICDYGENCKGEBOF-UHFFFAOYSA-N 0 0 495.342 4.601 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000010364582 555697632 /nfs/dbraw/zinc/69/76/32/555697632.db2.gz CDNDQHISWCDRBA-UHFFFAOYSA-N 0 0 453.004 4.658 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010365400 555697901 /nfs/dbraw/zinc/69/79/01/555697901.db2.gz GBOOVRVCISVIOF-UHFFFAOYSA-N 0 0 497.592 4.574 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000010365772 555697907 /nfs/dbraw/zinc/69/79/07/555697907.db2.gz IZSMLTYEZNLXIO-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010365615 555697938 /nfs/dbraw/zinc/69/79/38/555697938.db2.gz XSXCMODSBQMARH-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN Cc1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010366720 555698175 /nfs/dbraw/zinc/69/81/75/555698175.db2.gz CONGFOYMUZXBJY-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)c2C)cc1 ZINC000010367207 555698232 /nfs/dbraw/zinc/69/82/32/555698232.db2.gz XVLBRPFQWMFMGF-UHFFFAOYSA-N 0 0 479.602 4.742 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1 ZINC000010370886 555699681 /nfs/dbraw/zinc/69/96/81/555699681.db2.gz FJJDLXZHMXJUHG-UHFFFAOYSA-N 0 0 450.604 4.656 40 0 JJABRN COc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1Cl ZINC000010372449 555700335 /nfs/dbraw/zinc/70/03/35/555700335.db2.gz PNJVTZHTRGRNFZ-UHFFFAOYSA-N 0 0 462.930 4.706 40 0 JJABRN Cc1cccc(CSCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000010372466 555700552 /nfs/dbraw/zinc/70/05/52/555700552.db2.gz FLQVEZXOJRLVHG-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000010388023 555704593 /nfs/dbraw/zinc/70/45/93/555704593.db2.gz OXOQDIKGEPUQQN-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000014152549 555708244 /nfs/dbraw/zinc/70/82/44/555708244.db2.gz QKJJDZUNPOFJHY-UHFFFAOYSA-N 0 0 465.362 4.789 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000014154721 555712254 /nfs/dbraw/zinc/71/22/54/555712254.db2.gz QWPAKJUSNAMPCE-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000010445681 555712970 /nfs/dbraw/zinc/71/29/70/555712970.db2.gz NYMWFPNURQMHTI-UHFFFAOYSA-N 0 0 484.549 4.529 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000010447748 555714224 /nfs/dbraw/zinc/71/42/24/555714224.db2.gz LPPSORWJMYWSFS-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014155727 555714367 /nfs/dbraw/zinc/71/43/67/555714367.db2.gz MXIXPIYBWPPARI-SANMLTNESA-N 0 0 477.586 4.836 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000010448584 555714429 /nfs/dbraw/zinc/71/44/29/555714429.db2.gz NHQKVPLQVTZDEU-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010448600 555714445 /nfs/dbraw/zinc/71/44/45/555714445.db2.gz WTIILWFSLNFHNQ-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010448780 555714770 /nfs/dbraw/zinc/71/47/70/555714770.db2.gz DOAIQKGKLQPOEO-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000010448950 555714799 /nfs/dbraw/zinc/71/47/99/555714799.db2.gz JJLPLUTXDCKWKC-UHFFFAOYSA-N 0 0 470.616 4.562 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCCc2ccccc21 ZINC000010449498 555715339 /nfs/dbraw/zinc/71/53/39/555715339.db2.gz SONFREGJDOMXCH-UHFFFAOYSA-N 0 0 474.504 4.880 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010449580 555715629 /nfs/dbraw/zinc/71/56/29/555715629.db2.gz NHABDZCRCCVLAD-UHFFFAOYSA-N 0 0 485.005 4.913 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000010449740 555715875 /nfs/dbraw/zinc/71/58/75/555715875.db2.gz CPWQVEPSZWSFDT-FQEVSTJZSA-N 0 0 464.587 4.567 40 0 JJABRN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010449830 555716187 /nfs/dbraw/zinc/71/61/87/555716187.db2.gz RHLYDKHUMTXUIF-MOPGFXCFSA-N 0 0 450.560 4.611 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc(OC)c1OC ZINC000014163813 555717099 /nfs/dbraw/zinc/71/70/99/555717099.db2.gz VWTUBAOJDATOLF-INIZCTEOSA-N 0 0 461.493 4.782 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl ZINC000020227880 555718351 /nfs/dbraw/zinc/71/83/51/555718351.db2.gz YJZFVJWQUNBKBU-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN Cc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020234220 555725930 /nfs/dbraw/zinc/72/59/30/555725930.db2.gz DUFJBOLKBAULJF-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000020237380 555731568 /nfs/dbraw/zinc/73/15/68/555731568.db2.gz AHVVUIORXYOICM-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000010691693 555732967 /nfs/dbraw/zinc/73/29/67/555732967.db2.gz JVNGVWKAXRPTLF-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000010692299 555733154 /nfs/dbraw/zinc/73/31/54/555733154.db2.gz ZCFWSMNFBNFTON-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccc(C)cc2)cc1OC ZINC000020239312 555733306 /nfs/dbraw/zinc/73/33/06/555733306.db2.gz INJWWESZUHAVCE-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1ccc(SCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020239403 555733659 /nfs/dbraw/zinc/73/36/59/555733659.db2.gz UZGOYPSVFLLYBB-UHFFFAOYSA-N 0 0 472.607 4.546 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(=O)(=O)N(C)C)c1 ZINC000020244751 555740686 /nfs/dbraw/zinc/74/06/86/555740686.db2.gz JDEONMIMUDLGJB-UHFFFAOYSA-N 0 0 483.659 4.847 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)Nc2ccccc2Sc2ccccc2)S(=O)(=O)N(C)C)c1 ZINC000020244869 555740967 /nfs/dbraw/zinc/74/09/67/555740967.db2.gz YUKJUOFJQISHDB-UHFFFAOYSA-N 0 0 469.632 4.706 40 0 JJABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020245710 555741480 /nfs/dbraw/zinc/74/14/80/555741480.db2.gz BAIOHNFWHLXRIK-UHFFFAOYSA-N 0 0 467.635 4.649 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c(C)c3)nn12 ZINC000014269128 555757995 /nfs/dbraw/zinc/75/79/95/555757995.db2.gz DYRBSALZDARLGL-UHFFFAOYSA-N 0 0 471.011 4.812 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c(F)c1F ZINC000014270071 555761164 /nfs/dbraw/zinc/76/11/64/555761164.db2.gz MPUIOGHTTQOUNO-UHFFFAOYSA-N 0 0 461.868 4.632 40 0 JJABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)n2)cc1 ZINC000014270069 555761167 /nfs/dbraw/zinc/76/11/67/555761167.db2.gz NFGPPZCVDSGKFE-UHFFFAOYSA-N 0 0 471.457 4.511 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000011132482 555762465 /nfs/dbraw/zinc/76/24/65/555762465.db2.gz GQISXBLUFGYLCP-UHFFFAOYSA-N 0 0 466.559 4.527 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 ZINC000014270943 555764362 /nfs/dbraw/zinc/76/43/62/555764362.db2.gz QQHWJGCGOHWBQD-UHFFFAOYSA-N 0 0 459.575 4.988 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1cccs1 ZINC000014271177 555765278 /nfs/dbraw/zinc/76/52/78/555765278.db2.gz YYDGHQCQKQQJJY-UHFFFAOYSA-N 0 0 469.588 4.923 40 0 JJABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 ZINC000014271280 555765751 /nfs/dbraw/zinc/76/57/51/555765751.db2.gz HMBWCYVMODKZBO-UHFFFAOYSA-N 0 0 457.449 4.507 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(C(C)C)cc4)cc3)nn12 ZINC000014271427 555766339 /nfs/dbraw/zinc/76/63/39/555766339.db2.gz XYLQRHCMMMXUOI-AWNIVKPZSA-N 0 0 462.604 4.811 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 ZINC000014271435 555766399 /nfs/dbraw/zinc/76/63/99/555766399.db2.gz VZHPSJXXBIYRDH-UHFFFAOYSA-N 0 0 470.583 4.955 40 0 JJABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000014271930 555768262 /nfs/dbraw/zinc/76/82/62/555768262.db2.gz ZQTFRZDWEHZVDA-UHFFFAOYSA-N 0 0 462.418 4.924 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1Cl ZINC000014272740 555770735 /nfs/dbraw/zinc/77/07/35/555770735.db2.gz DPXIEYDFNUJVGZ-UHFFFAOYSA-N 0 0 452.898 4.660 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000014272736 555770864 /nfs/dbraw/zinc/77/08/64/555770864.db2.gz KYIKUFWGXSUKQZ-UHFFFAOYSA-N 0 0 460.387 4.555 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 ZINC000014273452 555773286 /nfs/dbraw/zinc/77/32/86/555773286.db2.gz JZSJTVIANMKETE-UHFFFAOYSA-N 0 0 465.981 4.959 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000014273461 555773357 /nfs/dbraw/zinc/77/33/57/555773357.db2.gz KKUPVXPPVSPMTK-UHFFFAOYSA-N 0 0 464.791 4.804 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([C@H](C)CC)cc2)CC1 ZINC000014273536 555773633 /nfs/dbraw/zinc/77/36/33/555773633.db2.gz WWNJAPOBZGZRBU-GOSISDBHSA-N 0 0 458.002 4.930 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Br)cn1 ZINC000014274842 555778143 /nfs/dbraw/zinc/77/81/43/555778143.db2.gz XLXFJRGTLIVLLY-UHFFFAOYSA-N 0 0 495.196 4.895 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(F)c1F ZINC000014274856 555778155 /nfs/dbraw/zinc/77/81/55/555778155.db2.gz MQFGODQIYICIJG-UHFFFAOYSA-N 0 0 490.438 4.890 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)c(C)c1 ZINC000014275850 555782054 /nfs/dbraw/zinc/78/20/54/555782054.db2.gz NQUXIVOBCCUGJL-UHFFFAOYSA-N 0 0 486.645 4.939 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 ZINC000014276085 555782914 /nfs/dbraw/zinc/78/29/14/555782914.db2.gz WRDWSBCQECQYOU-UHFFFAOYSA-N 0 0 499.976 4.745 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 ZINC000014276776 555784526 /nfs/dbraw/zinc/78/45/26/555784526.db2.gz FVKXDLIZLBIGDS-UHFFFAOYSA-N 0 0 493.460 4.877 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc(F)c1 ZINC000014277096 555785061 /nfs/dbraw/zinc/78/50/61/555785061.db2.gz JYECEXBBQLWBRX-UHFFFAOYSA-N 0 0 483.012 4.928 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)c1 ZINC000020411608 555789300 /nfs/dbraw/zinc/78/93/00/555789300.db2.gz SMYNUANIVCOIJV-UHFFFAOYSA-N 0 0 493.991 4.880 40 0 JJABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccccc3I)sc2c1 ZINC000020411736 555789308 /nfs/dbraw/zinc/78/93/08/555789308.db2.gz IMHBPASRPJLTCG-UHFFFAOYSA-N 0 0 466.300 4.718 40 0 JJABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(I)c3)c2C(N)=O)C1 ZINC000014279094 555790235 /nfs/dbraw/zinc/79/02/35/555790235.db2.gz VEPPGBBTYPXROP-LBPRGKRZSA-N 0 0 482.387 4.855 40 0 JJABRN Cc1cc(I)ccc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000011613887 555790363 /nfs/dbraw/zinc/79/03/63/555790363.db2.gz YNUWXBCAMWFWIC-UHFFFAOYSA-N 0 0 480.323 4.946 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccccc3F)CC2)cc1 ZINC000014291269 555793133 /nfs/dbraw/zinc/79/31/33/555793133.db2.gz PBRPTEWQUUJJLV-UHFFFAOYSA-N 0 0 481.955 4.767 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1Cl ZINC000020528977 555793757 /nfs/dbraw/zinc/79/37/57/555793757.db2.gz TZEGMDPOIHMPBS-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000014396829 555802574 /nfs/dbraw/zinc/80/25/74/555802574.db2.gz DUYVTKZQXOAPOY-UHFFFAOYSA-N 0 0 452.857 4.683 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000014401034 555806449 /nfs/dbraw/zinc/80/64/49/555806449.db2.gz OUPGQGUMUFTACQ-HSZRJFAPSA-N 0 0 454.548 4.601 40 0 JJABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(CSc2ccccc2)cc1C)c1ccc2c(c1)OCO2 ZINC000014400888 555806619 /nfs/dbraw/zinc/80/66/19/555806619.db2.gz IVRRVMVRMRIFQN-UHFFFAOYSA-N 0 0 498.626 4.811 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(OC)cc3)cc2)cc1 ZINC000014401798 555806862 /nfs/dbraw/zinc/80/68/62/555806862.db2.gz GOAYMHHOUARIDB-DEOSSOPVSA-N 0 0 484.574 4.691 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1C ZINC000014411647 555810562 /nfs/dbraw/zinc/81/05/62/555810562.db2.gz SEENDKUPTMGBJK-SANMLTNESA-N 0 0 474.582 4.851 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000014411897 555810960 /nfs/dbraw/zinc/81/09/60/555810960.db2.gz NLKFPEWLBNYKMV-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000014412042 555811152 /nfs/dbraw/zinc/81/11/52/555811152.db2.gz ZJPWWCCKKXFJRL-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000014412879 555812007 /nfs/dbraw/zinc/81/20/07/555812007.db2.gz UPGNMTHFNXKSPP-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000014413186 555812301 /nfs/dbraw/zinc/81/23/01/555812301.db2.gz WBBDMFIIUYKNHO-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)sc2c1CCC2 ZINC000020571309 555823663 /nfs/dbraw/zinc/82/36/63/555823663.db2.gz WPMZZYIMXKVFAB-UHFFFAOYSA-N 0 0 484.599 4.775 40 0 JJABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000020572810 555824603 /nfs/dbraw/zinc/82/46/03/555824603.db2.gz RCICSBDIRBCJED-UHFFFAOYSA-N 0 0 472.519 4.750 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3OCC)o1)CCCC2 ZINC000021545593 555851256 /nfs/dbraw/zinc/85/12/56/555851256.db2.gz RASZKIDSDVYGTL-UHFFFAOYSA-N 0 0 487.603 4.983 40 0 JJABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)c1 ZINC000021579760 555852299 /nfs/dbraw/zinc/85/22/99/555852299.db2.gz FUHQCTIRDIVJJW-UHFFFAOYSA-N 0 0 493.991 4.962 40 0 JJABRN COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)cc4OC)c3)nc2c1 ZINC000021595822 555853832 /nfs/dbraw/zinc/85/38/32/555853832.db2.gz QLFQDNZFOFQVGN-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000015017230 555858401 /nfs/dbraw/zinc/85/84/01/555858401.db2.gz KXIYTCKJVXACKI-VPUSJEBWSA-N 0 0 459.977 4.928 40 0 JJABRN COc1ccc(CCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c(OC)c1 ZINC000015080531 555872405 /nfs/dbraw/zinc/87/24/05/555872405.db2.gz SYIJEBQEENWCGZ-UHFFFAOYSA-N 0 0 473.513 4.636 40 0 JJABRN CCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000022110468 555877654 /nfs/dbraw/zinc/87/76/54/555877654.db2.gz HECOWCVFMMXXKP-UHFFFAOYSA-N 0 0 467.364 4.736 40 0 JJABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1ccc(Cl)cc1 ZINC000022110591 555877665 /nfs/dbraw/zinc/87/76/65/555877665.db2.gz LTZWFRZXVQURML-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN CCOc1cc(CNn2c(=S)[nH]nc2-c2ccccc2OC)cc(Br)c1OC ZINC000022111147 555878611 /nfs/dbraw/zinc/87/86/11/555878611.db2.gz RRTHQURYOGBUSP-UHFFFAOYSA-N 0 0 465.373 4.530 40 0 JJABRN CCOC1(OCC)C(=O)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000022114878 555879143 /nfs/dbraw/zinc/87/91/43/555879143.db2.gz DDPQCTMIWNZXHV-UHFFFAOYSA-N 0 0 498.171 4.912 40 0 JJABRN C[C@@H](OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)c1ccccc1 ZINC000015222107 555885537 /nfs/dbraw/zinc/88/55/37/555885537.db2.gz RPSAGYPFQSRDOI-HOYKHHGWSA-N 0 0 456.498 4.682 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022231149 555889683 /nfs/dbraw/zinc/88/96/83/555889683.db2.gz AWNDFTVLLJRVNJ-UHFFFAOYSA-N 0 0 478.492 4.689 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 ZINC000022231620 555890245 /nfs/dbraw/zinc/89/02/45/555890245.db2.gz IUWFSTLJERNRLA-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN COc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OC(=O)c1ccco1 ZINC000015264358 555890954 /nfs/dbraw/zinc/89/09/54/555890954.db2.gz ZTIIMJDPPWPTFJ-WJDWOHSUSA-N 0 0 468.259 4.614 40 0 JJABRN CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccco4)c(OC)c3)C(=O)O2)cc1OCC ZINC000015262447 555890962 /nfs/dbraw/zinc/89/09/62/555890962.db2.gz HXPWIDWGTHNXDR-AQTBWJFISA-N 0 0 477.469 4.649 40 0 JJABRN Cc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232105 555891449 /nfs/dbraw/zinc/89/14/49/555891449.db2.gz IXEDMMKMYRIMKE-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000022232396 555891597 /nfs/dbraw/zinc/89/15/97/555891597.db2.gz VJQPXPSBXLHAAY-VWLOTQADSA-N 0 0 499.032 4.879 40 0 JJABRN CC(C)c1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232569 555891974 /nfs/dbraw/zinc/89/19/74/555891974.db2.gz UZXONZKDNRNLLO-UHFFFAOYSA-N 0 0 470.566 4.933 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000022232632 555892135 /nfs/dbraw/zinc/89/21/35/555892135.db2.gz NZFYEDZOIKHLNQ-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022232799 555892459 /nfs/dbraw/zinc/89/24/59/555892459.db2.gz WIZOXFXQPYMSCT-UHFFFAOYSA-N 0 0 470.566 4.735 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1C ZINC000022233031 555892698 /nfs/dbraw/zinc/89/26/98/555892698.db2.gz IGPCJHXCUPSNHW-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000022233025 555892721 /nfs/dbraw/zinc/89/27/21/555892721.db2.gz GKUVOSBNBYPYHZ-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCc2ccccc2Cl)cc1 ZINC000022232979 555892747 /nfs/dbraw/zinc/89/27/47/555892747.db2.gz JQGDRQYMPKQHEV-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233052 555893023 /nfs/dbraw/zinc/89/30/23/555893023.db2.gz IMDUVUUMFOPDFH-UHFFFAOYSA-N 0 0 472.994 4.886 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000022233586 555893636 /nfs/dbraw/zinc/89/36/36/555893636.db2.gz MQPLZJHXVDYLDH-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CCn1cc(C(=O)Nc2ccc(I)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236767 555894470 /nfs/dbraw/zinc/89/44/70/555894470.db2.gz FEDUZVQXOISALY-UHFFFAOYSA-N 0 0 486.231 4.897 40 0 JJABRN C[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)NCc1ccccc1 ZINC000015306264 555895110 /nfs/dbraw/zinc/89/51/10/555895110.db2.gz JWRXINMASKAPBP-BYXVTNLJSA-N 0 0 490.353 4.657 40 0 JJABRN O[C@H](CNc1ccc(Cc2ccc(NC[C@@H](O)COc3ccccc3)cc2)cc1)COc1ccccc1 ZINC000015318927 555897322 /nfs/dbraw/zinc/89/73/22/555897322.db2.gz VZGZPACNSRLDLH-FQLXRVMXSA-N 0 0 498.623 4.981 40 0 JJABRN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320797 555897895 /nfs/dbraw/zinc/89/78/95/555897895.db2.gz MBPPDBFIRVFCDQ-JOCHJYFZSA-N 0 0 495.004 4.665 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000022247950 555898340 /nfs/dbraw/zinc/89/83/40/555898340.db2.gz OIDCLGIGSAVWIP-DFBJGRDBSA-N 0 0 498.670 4.574 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1 ZINC000022247959 555898372 /nfs/dbraw/zinc/89/83/72/555898372.db2.gz OIDCLGIGSAVWIP-CLOONOSVSA-N 0 0 498.670 4.574 40 0 JJABRN CCOC(=O)[C@@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1C(=S)NCc1ccccc1 ZINC000015321262 555898500 /nfs/dbraw/zinc/89/85/00/555898500.db2.gz CXEWTAOHANOUFM-ROUUACIJSA-N 0 0 454.539 4.759 40 0 JJABRN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c2ccccc2)cc1 ZINC000015322045 555898776 /nfs/dbraw/zinc/89/87/76/555898776.db2.gz IOELGTYGVQCVTH-AREMUKBSSA-N 0 0 462.615 4.997 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000022248372 555898979 /nfs/dbraw/zinc/89/89/79/555898979.db2.gz ZWMZUZIAMLGRML-NRFANRHFSA-N 0 0 494.947 4.545 40 0 JJABRN O=C(Nc1ccccc1Br)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015350101 555899933 /nfs/dbraw/zinc/89/99/33/555899933.db2.gz HFHRRRUNMKZMKE-UHFFFAOYSA-N 0 0 457.777 4.529 40 0 JJABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000022251982 555900696 /nfs/dbraw/zinc/90/06/96/555900696.db2.gz TXGHMOPKGDKXHG-UHFFFAOYSA-N 0 0 481.785 4.702 40 0 JJABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O ZINC000022252239 555900907 /nfs/dbraw/zinc/90/09/07/555900907.db2.gz AKHVVCLEURBPGP-UHFFFAOYSA-N 0 0 486.615 4.893 40 0 JJABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000022252268 555900911 /nfs/dbraw/zinc/90/09/11/555900911.db2.gz AVGRTBZUMYCTCF-UHFFFAOYSA-N 0 0 470.547 4.534 40 0 JJABRN COc1cc(C(=O)Nc2cccc(Cl)c2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253436 555901803 /nfs/dbraw/zinc/90/18/03/555901803.db2.gz RJNFTQKZYYRURW-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1cc(C(=O)Nc2cccc(C)c2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254396 555902939 /nfs/dbraw/zinc/90/29/39/555902939.db2.gz LUZCITIMNHLSJE-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN COc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000022257084 555904919 /nfs/dbraw/zinc/90/49/19/555904919.db2.gz URNVCKFYJSFIEB-UHFFFAOYSA-N 0 0 473.595 4.724 40 0 JJABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258554 555906030 /nfs/dbraw/zinc/90/60/30/555906030.db2.gz YQRQDZCWFJKGAX-UHFFFAOYSA-N 0 0 455.894 4.975 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000022259503 555906265 /nfs/dbraw/zinc/90/62/65/555906265.db2.gz TZYWKSAEFLZVQJ-AWEZNQCLSA-N 0 0 460.905 4.707 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1C ZINC000022268276 555907029 /nfs/dbraw/zinc/90/70/29/555907029.db2.gz RGKCNQMJPQGKNY-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000022269556 555908583 /nfs/dbraw/zinc/90/85/83/555908583.db2.gz YTXISXKPNBIKPO-OAQYLSRUSA-N 0 0 493.412 4.920 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1OC ZINC000015438675 555908808 /nfs/dbraw/zinc/90/88/08/555908808.db2.gz HNTAVZQTLUCGIT-UHFFFAOYSA-N 0 0 474.966 4.729 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000015439154 555909219 /nfs/dbraw/zinc/90/92/19/555909219.db2.gz ONOZUCRQOHUSCX-UHFFFAOYSA-N 0 0 461.337 4.511 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)cc1 ZINC000015439208 555909245 /nfs/dbraw/zinc/90/92/45/555909245.db2.gz VFSRNTAFRIMCFZ-UHFFFAOYSA-N 0 0 462.527 4.910 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000022271469 555909266 /nfs/dbraw/zinc/90/92/66/555909266.db2.gz ZOSGHCZZFRJECA-JOCHJYFZSA-N 0 0 493.412 4.920 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000022271723 555910042 /nfs/dbraw/zinc/91/00/42/555910042.db2.gz PCPCZWMYFBQMHF-SANMLTNESA-N 0 0 480.630 4.956 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000022271731 555910109 /nfs/dbraw/zinc/91/01/09/555910109.db2.gz DSGUMVFZHJVJQM-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN Cc1cc(C)cc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274305 555910962 /nfs/dbraw/zinc/91/09/62/555910962.db2.gz MXWXACUQVSIDCB-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022274365 555911267 /nfs/dbraw/zinc/91/12/67/555911267.db2.gz LZEAKGTUUDIEME-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015511658 555912163 /nfs/dbraw/zinc/91/21/63/555912163.db2.gz YEUHATPIRYBLHC-UHFFFAOYSA-N 0 0 462.877 4.666 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2cccc(C)c2)cc1 ZINC000022275276 555912224 /nfs/dbraw/zinc/91/22/24/555912224.db2.gz FVDWPZXIRXBQAK-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022275109 555912231 /nfs/dbraw/zinc/91/22/31/555912231.db2.gz QJOJJDHIZXFQFH-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022275407 555912370 /nfs/dbraw/zinc/91/23/70/555912370.db2.gz QDUVWRRVTYZXDA-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275988 555913058 /nfs/dbraw/zinc/91/30/58/555913058.db2.gz JURDALSSYRGUOS-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276477 555913768 /nfs/dbraw/zinc/91/37/68/555913768.db2.gz CCMQHXDSKFNYSX-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276575 555914040 /nfs/dbraw/zinc/91/40/40/555914040.db2.gz BMIXITDPIDNKJA-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276625 555914075 /nfs/dbraw/zinc/91/40/75/555914075.db2.gz XNPUNGMVZNQSGE-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276778 555914345 /nfs/dbraw/zinc/91/43/45/555914345.db2.gz IJCSOOLDIQZLLO-UHFFFAOYSA-N 0 0 462.493 4.526 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277347 555914865 /nfs/dbraw/zinc/91/48/65/555914865.db2.gz SHPPGQZWGJSGFD-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000022277281 555914901 /nfs/dbraw/zinc/91/49/01/555914901.db2.gz YWCKOFWIRITXBB-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277358 555914910 /nfs/dbraw/zinc/91/49/10/555914910.db2.gz RUUIBNWAAWBLKO-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000022277848 555915481 /nfs/dbraw/zinc/91/54/81/555915481.db2.gz LVVMKXPQRYTTMS-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277923 555915677 /nfs/dbraw/zinc/91/56/77/555915677.db2.gz LEJZGMVHTRNWNT-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN CN(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022278665 555916513 /nfs/dbraw/zinc/91/65/13/555916513.db2.gz UXDFOJJBQMPELH-UHFFFAOYSA-N 0 0 463.386 4.847 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022278561 555916559 /nfs/dbraw/zinc/91/65/59/555916559.db2.gz CWJDWEIUWGIJEC-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022304178 555919102 /nfs/dbraw/zinc/91/91/02/555919102.db2.gz AYXIPSYMEONGCT-QHCPKHFHSA-N 0 0 454.979 4.729 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022303792 555919156 /nfs/dbraw/zinc/91/91/56/555919156.db2.gz JWWWZESKMGWBIV-JOCHJYFZSA-N 0 0 454.979 4.729 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000022361574 555925784 /nfs/dbraw/zinc/92/57/84/555925784.db2.gz KJVZEXAFQDENQO-HSZRJFAPSA-N 0 0 454.979 4.729 40 0 JJABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(Cl)c(Cl)cc1Cl ZINC000022365430 555926322 /nfs/dbraw/zinc/92/63/22/555926322.db2.gz AWRPXZGLAITQCR-QGZVFWFLSA-N 0 0 461.798 4.607 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022374009 555927164 /nfs/dbraw/zinc/92/71/64/555927164.db2.gz GDLFPVZPAJVJCD-QHCPKHFHSA-N 0 0 490.984 4.951 40 0 JJABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(/C=C/c4ccc(Cl)cc4)c23)cc1 ZINC000015672330 555929258 /nfs/dbraw/zinc/92/92/58/555929258.db2.gz RWUWFLLKYJSFIE-FESIQLCVSA-N 0 0 460.961 4.940 40 0 biogenic,in-vitro JJABRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1Cl ZINC000022530947 555931904 /nfs/dbraw/zinc/93/19/04/555931904.db2.gz GXRKQPFKBLASLW-UHFFFAOYSA-N 0 0 450.878 4.800 40 0 JJABRN Cc1nc(NC(=O)c2cc(Br)ccc2Cl)ccc1I ZINC000022531851 555932169 /nfs/dbraw/zinc/93/21/69/555932169.db2.gz PNTNIMHKGQTAOW-UHFFFAOYSA-N 0 0 451.489 4.663 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 ZINC000022565617 555936001 /nfs/dbraw/zinc/93/60/01/555936001.db2.gz GTBHSLFCKOZIIY-UHFFFAOYSA-N 0 0 458.591 4.702 40 0 JJABRN Cc1cc(NC(=O)COc2ccc(Br)cc2)c(C)cc1I ZINC000022567581 555936574 /nfs/dbraw/zinc/93/65/74/555936574.db2.gz CIFAPKXMPLJCBG-UHFFFAOYSA-N 0 0 460.109 4.688 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C=C4C)cc1 ZINC000022570693 555937414 /nfs/dbraw/zinc/93/74/14/555937414.db2.gz RXRUDFRREZXLEC-AREMUKBSSA-N 0 0 462.571 4.647 40 0 JJABRN Cc1ccc([C@H]2C(C(=O)N3CCN(c4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000022572746 555937736 /nfs/dbraw/zinc/93/77/36/555937736.db2.gz RSVRMBGLCOBQMZ-MHZLTWQESA-N 0 0 463.585 4.982 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c(I)cc1C ZINC000022711002 555945761 /nfs/dbraw/zinc/94/57/61/555945761.db2.gz KGDLNXRDIXCCCR-UHFFFAOYSA-N 0 0 474.751 4.697 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(NC(=O)c3ccc(OCC)cc3)c2)cc1 ZINC000022747650 555951669 /nfs/dbraw/zinc/95/16/69/555951669.db2.gz DTBADJOEZMTASZ-UHFFFAOYSA-N 0 0 489.572 4.825 40 0 JJABRN COc1cc(CN(C(=S)NC(=O)c2ccc(C(C)C)cc2)C2CCCCC2)ccc1OCC(N)=O ZINC000022758345 555954724 /nfs/dbraw/zinc/95/47/24/555954724.db2.gz OBSYFPMSZWLNSN-UHFFFAOYSA-N 0 0 497.661 4.532 40 0 JJABRN COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000012383363 555971513 /nfs/dbraw/zinc/97/15/13/555971513.db2.gz XEORBFKZSBAWIA-XFPJRNFQSA-N 0 0 467.315 4.913 40 0 JJABRN c1ccc(C(c2ccccc2)N2CCN([C@H](c3nnnn3C3CCCC3)c3ccccn3)CC2)cc1 ZINC000022921149 555975119 /nfs/dbraw/zinc/97/51/19/555975119.db2.gz SIWYSFHQVUAXRH-NDEPHWFRSA-N 0 0 479.632 4.680 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000015739584 555983730 /nfs/dbraw/zinc/98/37/30/555983730.db2.gz YTDWMPQZLVCQTH-UHFFFAOYSA-N 0 0 464.893 4.650 40 0 JJABRN COc1ccc(CNC(=O)CC[C@]23CC[C@](C)(O)C[C@H]2C(C)(C)C[C@@H]3NC(=O)CC(C)(C)C)cc1 ZINC000012531593 556001446 /nfs/dbraw/zinc/00/14/46/556001446.db2.gz XFULCQFGAXNMBO-ZVBGZEEKSA-N 0 0 486.697 4.980 40 0 biogenic,in-vitro JJABRN COc1ccc(CNC(=O)CC[C@]23CC[C@](C)(O)C[C@H]2C(C)(C)C[C@@H]3NC(=O)c2cccs2)cc1 ZINC000012531584 556001469 /nfs/dbraw/zinc/00/14/69/556001469.db2.gz IFUJEEPLDCGTGS-GOUQPXDXSA-N 0 0 498.689 4.919 40 0 biogenic,in-vitro JJABRN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)OCC(=O)NC(=O)NC5CCCCC5)(C4)C2)C3)cc1C ZINC000012541719 556016259 /nfs/dbraw/zinc/01/62/59/556016259.db2.gz IKRQGZJIWSJSJS-LHUUVIGISA-N 0 0 466.622 4.843 40 0 JJABRN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1OC ZINC000023292192 556038350 /nfs/dbraw/zinc/03/83/50/556038350.db2.gz HVQHJZYYDRVJNT-RUZDIDTESA-N 0 0 479.646 4.971 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)cc2c1 ZINC000012566888 556065331 /nfs/dbraw/zinc/06/53/31/556065331.db2.gz GYUMOZDZHSNXBP-CJAUYULYSA-N 0 0 454.578 4.787 40 0 JJABRN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3C)N(Cc3ccncc3)C2=S)cc1 ZINC000015932198 556070979 /nfs/dbraw/zinc/07/09/79/556070979.db2.gz RUFUTJSEANIBIL-JOCHJYFZSA-N 0 0 495.004 4.583 40 0 JJABRN c1ccc2c(c1)nnn2[C@@H](NC1CCCCC1)[C@H](NC1CCCCC1)n1nnc2ccccc21 ZINC000023469483 556073572 /nfs/dbraw/zinc/07/35/72/556073572.db2.gz BUSAACUHTXKBEK-CLJLJLNGSA-N 0 0 458.614 4.718 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015992174 556102546 /nfs/dbraw/zinc/10/25/46/556102546.db2.gz YESFDXZKQDBKMX-UHFFFAOYSA-N 0 0 461.798 4.995 40 0 JJABRN CCN(C(=O)CSc1nnc2scc(-c3cc(OC)ccc3OC)n12)c1ccccc1 ZINC000012878965 556122819 /nfs/dbraw/zinc/12/28/19/556122819.db2.gz SZMWXBZFDMQATO-UHFFFAOYSA-N 0 0 454.577 4.620 40 0 JJABRN COc1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3s2)cc1OC ZINC000016227219 556130226 /nfs/dbraw/zinc/13/02/26/556130226.db2.gz JCAFCSRSFUYHHC-UHFFFAOYSA-N 0 0 493.541 4.835 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1 ZINC000016321429 556135229 /nfs/dbraw/zinc/13/52/29/556135229.db2.gz FHHBIJKREOFQRZ-UHFFFAOYSA-N 0 0 471.707 4.765 40 0 JJABRN CCc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)c3c(c4ccccc4nc3C)C2=O)cc1 ZINC000024605425 556138515 /nfs/dbraw/zinc/13/85/15/556138515.db2.gz HPKRRHKYKDZQEX-UHFFFAOYSA-N 0 0 478.504 4.946 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013023480 556212667 /nfs/dbraw/zinc/21/26/67/556212667.db2.gz VKKXBPBXKKSDFH-XMMPIXPASA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013023641 556212921 /nfs/dbraw/zinc/21/29/21/556212921.db2.gz GLZHPXNHQNAZMO-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013023625 556212973 /nfs/dbraw/zinc/21/29/73/556212973.db2.gz AYJGJLIDJOHZQV-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013023634 556212990 /nfs/dbraw/zinc/21/29/90/556212990.db2.gz WUUFAWDDLWPESA-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024318 556214257 /nfs/dbraw/zinc/21/42/57/556214257.db2.gz CNYXOZRZHZKCFH-RUZDIDTESA-N 0 0 489.645 4.876 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024223 556214280 /nfs/dbraw/zinc/21/42/80/556214280.db2.gz BMLJGQIAWUSMPP-VWLOTQADSA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024238 556214285 /nfs/dbraw/zinc/21/42/85/556214285.db2.gz ATZGKICCAAKOTP-VWLOTQADSA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024545 556214570 /nfs/dbraw/zinc/21/45/70/556214570.db2.gz FEFRCWKCPWFDFK-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024711 556214825 /nfs/dbraw/zinc/21/48/25/556214825.db2.gz NXHNHFLPQYHXQM-AREMUKBSSA-N 0 0 487.579 4.645 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025595 556216304 /nfs/dbraw/zinc/21/63/04/556216304.db2.gz NGOZJLPUSCBGNV-QFIPXVFZSA-N 0 0 466.559 4.965 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1OC ZINC000013025762 556216653 /nfs/dbraw/zinc/21/66/53/556216653.db2.gz NBZFNCGJUKQVFI-DEOSSOPVSA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc(OC)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025774 556216682 /nfs/dbraw/zinc/21/66/82/556216682.db2.gz CTXACWQQVUUGIL-DEOSSOPVSA-N 0 0 466.509 4.883 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013025868 556216945 /nfs/dbraw/zinc/21/69/45/556216945.db2.gz HJVJKULLMXNXRM-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1OC ZINC000013025933 556217221 /nfs/dbraw/zinc/21/72/21/556217221.db2.gz KQASAHIRBDEMLO-RUZDIDTESA-N 0 0 476.573 4.782 40 0 JJABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc(OC)c1OC ZINC000013026164 556217879 /nfs/dbraw/zinc/21/78/79/556217879.db2.gz NLPUGKAGCLHHPM-DEOSSOPVSA-N 0 0 496.535 4.891 40 0 JJABRN COc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000013026419 556218456 /nfs/dbraw/zinc/21/84/56/556218456.db2.gz INMLILRRMXJTAC-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000013026506 556218713 /nfs/dbraw/zinc/21/87/13/556218713.db2.gz KPRIASWNTAJFTE-RUZDIDTESA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000013026516 556218745 /nfs/dbraw/zinc/21/87/45/556218745.db2.gz UVASKOVHAQOHEK-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000013026514 556218764 /nfs/dbraw/zinc/21/87/64/556218764.db2.gz UVASKOVHAQOHEK-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013026565 556218960 /nfs/dbraw/zinc/21/89/60/556218960.db2.gz RGZAPCVSHOODMM-DEOSSOPVSA-N 0 0 476.529 4.522 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026561 556219014 /nfs/dbraw/zinc/21/90/14/556219014.db2.gz XIBYFBDVGDRCEE-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc5ccccc5s4)n21)CCCC3 ZINC000013028062 556221391 /nfs/dbraw/zinc/22/13/91/556221391.db2.gz PVNJVURUGPAXNS-UHFFFAOYSA-N 0 0 466.617 4.867 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013029487 556223946 /nfs/dbraw/zinc/22/39/46/556223946.db2.gz UTMSTJPQJGTVPV-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 ZINC000013031315 556227417 /nfs/dbraw/zinc/22/74/17/556227417.db2.gz KOPQGJLWLKTLRG-RUZDIDTESA-N 0 0 493.995 4.610 40 0 JJABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031499 556228274 /nfs/dbraw/zinc/22/82/74/556228274.db2.gz OMRYWOQRWMJALO-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013031866 556229657 /nfs/dbraw/zinc/22/96/57/556229657.db2.gz ZAMBJZJZZPXSMH-DEOSSOPVSA-N 0 0 493.011 4.503 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032201 556230528 /nfs/dbraw/zinc/23/05/28/556230528.db2.gz LFNLONJZCIZIAR-VWLOTQADSA-N 0 0 473.577 4.720 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013032100 556230577 /nfs/dbraw/zinc/23/05/77/556230577.db2.gz GYABFNKTJAQECQ-XMMPIXPASA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)C1CCCCC1 ZINC000013032545 556231473 /nfs/dbraw/zinc/23/14/73/556231473.db2.gz AHFWKNSFTURRRZ-HSZRJFAPSA-N 0 0 467.639 4.700 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032675 556231725 /nfs/dbraw/zinc/23/17/25/556231725.db2.gz QBKWQDZUCLOLQY-XMMPIXPASA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013032668 556231757 /nfs/dbraw/zinc/23/17/57/556231757.db2.gz ZQYQPYIPMZCDLK-DEOSSOPVSA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013032662 556231811 /nfs/dbraw/zinc/23/18/11/556231811.db2.gz WOWVFTRLGXDVIA-XMMPIXPASA-N 0 0 491.617 4.581 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCCc2ccccc21 ZINC000026109875 556242249 /nfs/dbraw/zinc/24/22/49/556242249.db2.gz BMHMVKLFFWOYJW-QGZVFWFLSA-N 0 0 467.418 4.515 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCCc2ccccc21 ZINC000026109882 556242252 /nfs/dbraw/zinc/24/22/52/556242252.db2.gz BMHMVKLFFWOYJW-KRWDZBQOSA-N 0 0 467.418 4.515 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCc2ccccc21 ZINC000026110344 556242543 /nfs/dbraw/zinc/24/25/43/556242543.db2.gz CPWWWLNCVPTINN-GOSISDBHSA-N 0 0 467.418 4.515 40 0 JJABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)ccc1Cl ZINC000026119166 556248336 /nfs/dbraw/zinc/24/83/36/556248336.db2.gz IKBMYZBLINLZCA-UHFFFAOYSA-N 0 0 497.038 4.521 40 0 JJABRN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000017724667 556264861 /nfs/dbraw/zinc/26/48/61/556264861.db2.gz SOXDNXJXFYXTBP-TXTBHERKSA-N 0 0 481.589 4.629 40 0 biogenic,in-vitro JJABRN COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)c2)c1 ZINC000017988763 556274356 /nfs/dbraw/zinc/27/43/56/556274356.db2.gz FJIVEZPNDDKCRW-XZZVZQAVSA-N 0 0 497.547 4.808 40 0 JJABRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000018046831 556279920 /nfs/dbraw/zinc/27/99/20/556279920.db2.gz SAUGHSSSYMBPSC-SDHOMARFSA-N 0 0 492.959 4.794 40 0 JJABRN CC(C)(C)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)CCC4CCCC4)C2)[nH]c3=O)cc1 ZINC000013083415 556279932 /nfs/dbraw/zinc/27/99/32/556279932.db2.gz ZMQLGNXLYFCWBJ-OAQYLSRUSA-N 0 0 490.652 4.949 40 0 JJABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)C2)cc1 ZINC000013083648 556280314 /nfs/dbraw/zinc/28/03/14/556280314.db2.gz GNEKCMMUKBDTGD-MRXNPFEDSA-N 0 0 497.386 4.610 40 0 JJABRN Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)C2)c1 ZINC000013083625 556280414 /nfs/dbraw/zinc/28/04/14/556280414.db2.gz RQGVJYVBQLKAJW-INIZCTEOSA-N 0 0 497.386 4.610 40 0 JJABRN CCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083596 556280496 /nfs/dbraw/zinc/28/04/96/556280496.db2.gz MWUITIBXIAFBMQ-CQSZACIVSA-N 0 0 477.396 4.568 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018130560 556292212 /nfs/dbraw/zinc/29/22/12/556292212.db2.gz MUXSDIFQXNKICF-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018130155 556292227 /nfs/dbraw/zinc/29/22/27/556292227.db2.gz ZYUISDLOMKBHPH-VABKMULXSA-N 0 0 493.357 4.817 40 0 JJABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018169372 556297716 /nfs/dbraw/zinc/29/77/16/556297716.db2.gz SLSDYWCIKPKNLR-FKBYEOEOSA-N 0 0 463.331 4.809 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)F ZINC000027902392 556309545 /nfs/dbraw/zinc/30/95/45/556309545.db2.gz HENDEURZHJTGTQ-KRWDZBQOSA-N 0 0 483.220 4.895 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)c(Cl)c3N2)cc1 ZINC000018209562 556310428 /nfs/dbraw/zinc/31/04/28/556310428.db2.gz FQZXRFMWGJMNGA-CABCVRRESA-N 0 0 451.836 4.853 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)c1)c1ccc(F)cc1 ZINC000018244579 556314689 /nfs/dbraw/zinc/31/46/89/556314689.db2.gz PIZLGFNLLCQXQH-KSNOWIBYSA-N 0 0 485.511 4.939 40 0 JJABRN CCCN(c1ccc2sc(C(=O)NCCCOC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209239 556320129 /nfs/dbraw/zinc/32/01/29/556320129.db2.gz HUHFTOKZUXECJE-UHFFFAOYSA-N 0 0 460.621 4.581 40 0 JJABRN CCCN(c1ccc2sc(C(=O)NCCCOCC)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209346 556320837 /nfs/dbraw/zinc/32/08/37/556320837.db2.gz WQURGAOIZJIUTK-UHFFFAOYSA-N 0 0 474.648 4.971 40 0 JJABRN COCCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 ZINC000028362754 556332364 /nfs/dbraw/zinc/33/23/64/556332364.db2.gz HYNFSSQEVUWPLO-UHFFFAOYSA-N 0 0 481.803 4.738 40 0 JJABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccccc3)Cc3cccnc3)cc2c1 ZINC000019220715 556334576 /nfs/dbraw/zinc/33/45/76/556334576.db2.gz QZRMNVBSLFOSOU-SANMLTNESA-N 0 0 493.615 4.765 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-n2cccc2)n1Cc1ccccc1 ZINC000028534768 556334787 /nfs/dbraw/zinc/33/47/87/556334787.db2.gz NGWHTLYTMBQALI-UHFFFAOYSA-N 0 0 453.955 4.510 40 0 JJABRN COc1cccc(-n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc2-n2cccc2)c1 ZINC000028534818 556335334 /nfs/dbraw/zinc/33/53/34/556335334.db2.gz XRHHTUDFDOBUIS-UHFFFAOYSA-N 0 0 473.480 4.816 40 0 JJABRN Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000019234238 556336786 /nfs/dbraw/zinc/33/67/86/556336786.db2.gz MMALDWPLSKBBSR-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN CCn1c2nnc(CSc3nc4ccccc4n3-c3ccccc3)n2c2ccccc2c1=O ZINC000029304184 556350242 /nfs/dbraw/zinc/35/02/42/556350242.db2.gz ZSMCFYKIEHQQLS-UHFFFAOYSA-N 0 0 452.543 4.695 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000019522999 556351201 /nfs/dbraw/zinc/35/12/01/556351201.db2.gz DMBFFBNAAFUDMY-UHFFFAOYSA-N 0 0 483.012 4.500 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000030751160 556371260 /nfs/dbraw/zinc/37/12/60/556371260.db2.gz AVPDZTLDZIDDFP-QFIPXVFZSA-N 0 0 499.460 4.811 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000030753804 556372334 /nfs/dbraw/zinc/37/23/34/556372334.db2.gz GKDSNRBBGQYMMV-UHFFFAOYSA-N 0 0 468.644 4.879 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1OC ZINC000030754639 556372467 /nfs/dbraw/zinc/37/24/67/556372467.db2.gz TYCLPBREBVHUMD-UHFFFAOYSA-N 0 0 474.966 4.729 40 0 JJABRN C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000030754401 556372549 /nfs/dbraw/zinc/37/25/49/556372549.db2.gz RBRASZXHHYEKQG-KBMIEXCESA-N 0 0 464.587 4.827 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1I ZINC000030755917 556373251 /nfs/dbraw/zinc/37/32/51/556373251.db2.gz QQBCRGMUGQVPSV-OAQYLSRUSA-N 0 0 493.366 4.676 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000030847307 556375781 /nfs/dbraw/zinc/37/57/81/556375781.db2.gz LQGCFBLGLKAFOK-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000030850788 556377319 /nfs/dbraw/zinc/37/73/19/556377319.db2.gz HIEITLWPMQELKP-QHCPKHFHSA-N 0 0 468.575 4.909 40 0 JJABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000030851196 556377445 /nfs/dbraw/zinc/37/74/45/556377445.db2.gz OOTHYKCNWOYIDI-UHFFFAOYSA-N 0 0 493.629 4.710 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030854142 556378991 /nfs/dbraw/zinc/37/89/91/556378991.db2.gz WZVOMPVPKZTJHJ-ZEQRLZLVSA-N 0 0 454.567 4.585 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000030855910 556379864 /nfs/dbraw/zinc/37/98/64/556379864.db2.gz JGPKEUUSZHXLKS-OAHLLOKOSA-N 0 0 473.422 4.816 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2Cl)cc1 ZINC000030856372 556380058 /nfs/dbraw/zinc/38/00/58/556380058.db2.gz OWPPGBDDISMQCS-UHFFFAOYSA-N 0 0 483.977 4.828 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(C)cc2)cc1 ZINC000030857449 556380551 /nfs/dbraw/zinc/38/05/51/556380551.db2.gz RUIKTXZUGHPOMT-UHFFFAOYSA-N 0 0 496.629 4.693 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000030859094 556380844 /nfs/dbraw/zinc/38/08/44/556380844.db2.gz NUUVJVAHALLREF-SANMLTNESA-N 0 0 478.614 4.698 40 0 JJABRN COc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c(OC)c1OC ZINC000030864583 556382948 /nfs/dbraw/zinc/38/29/48/556382948.db2.gz OCEVEBUZDIRZSG-UHFFFAOYSA-N 0 0 453.560 4.814 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c(OC)c1 ZINC000019816950 556383433 /nfs/dbraw/zinc/38/34/33/556383433.db2.gz XBRZPDSXAZMGRH-QGZVFWFLSA-N 0 0 460.559 4.655 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)c(OC)c1 ZINC000019816905 556383447 /nfs/dbraw/zinc/38/34/47/556383447.db2.gz PVKOJDZFUNERFG-KRWDZBQOSA-N 0 0 460.559 4.655 40 0 JJABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000030870731 556385215 /nfs/dbraw/zinc/38/52/15/556385215.db2.gz UWWRHDBBBVDUHX-UHFFFAOYSA-N 0 0 477.435 4.561 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000030871809 556385473 /nfs/dbraw/zinc/38/54/73/556385473.db2.gz PWKYRHOFJJVCNA-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000019818428 556385774 /nfs/dbraw/zinc/38/57/74/556385774.db2.gz LQLMPJINUDQTPQ-CLJLJLNGSA-N 0 0 499.567 4.980 40 0 JJABRN COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)c3nc4ccccc4n32)cc1 ZINC000019819404 556388123 /nfs/dbraw/zinc/38/81/23/556388123.db2.gz JYVPOPLDWZBRHY-VWLOTQADSA-N 0 0 479.540 4.685 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000019820128 556388769 /nfs/dbraw/zinc/38/87/69/556388769.db2.gz ADRBFTZCYWKDRS-LOSJGSFVSA-N 0 0 453.542 4.914 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CC(=O)c2ccc(Cl)cc2)c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000019820278 556389445 /nfs/dbraw/zinc/38/94/45/556389445.db2.gz QHJFHBRIHCKWOM-DNQXCXABSA-N 0 0 487.943 4.688 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000019820417 556389707 /nfs/dbraw/zinc/38/97/07/556389707.db2.gz MIIFSIGFPGMIFK-LOSJGSFVSA-N 0 0 453.542 4.969 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000019820481 556389922 /nfs/dbraw/zinc/38/99/22/556389922.db2.gz FIRZGVUTXAEXHF-BJKOFHAPSA-N 0 0 457.505 4.799 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 ZINC000019820559 556390009 /nfs/dbraw/zinc/39/00/09/556390009.db2.gz IFRSXLBQVYEWIB-CLJLJLNGSA-N 0 0 483.568 4.793 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000019820599 556390270 /nfs/dbraw/zinc/39/02/70/556390270.db2.gz FVHRQBBDCDSJHE-DNQXCXABSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1OCC ZINC000019820698 556390449 /nfs/dbraw/zinc/39/04/49/556390449.db2.gz JLZCLCKPXATOFP-IZZNHLLZSA-N 0 0 483.568 4.793 40 0 JJABRN C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](O)(C(C)C)CC[C@@]21C ZINC000031157388 556392739 /nfs/dbraw/zinc/39/27/39/556392739.db2.gz NUXKLJINNAOFAH-UZEMRZBHSA-N 0 0 456.579 4.949 40 0 biogenic,in-vitro JJABRN Cc1ccc(C2=NN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101177 556416778 /nfs/dbraw/zinc/41/67/78/556416778.db2.gz CNDMHUYZWCZUEM-BUXKBTBVSA-N 0 0 461.267 4.957 40 0 JJABRN O=C(c1ccccc1Br)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101405 556417035 /nfs/dbraw/zinc/41/70/35/556417035.db2.gz DYYFKUPOPIAUAS-INIZCTEOSA-N 0 0 492.089 4.713 40 0 JJABRN Cc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032107034 556418452 /nfs/dbraw/zinc/41/84/52/556418452.db2.gz UFYNAGPAPGPVCB-UHFFFAOYSA-N 0 0 477.413 4.809 40 0 JJABRN Cc1cc(I)ccc1NC(=S)NC(=O)COc1ccc2ccccc2c1 ZINC000032109305 556418739 /nfs/dbraw/zinc/41/87/39/556418739.db2.gz CXTDYKSEAVTSGO-UHFFFAOYSA-N 0 0 476.339 4.645 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000032125080 556428722 /nfs/dbraw/zinc/42/87/22/556428722.db2.gz KALKVPOIKOWYQD-UHFFFAOYSA-N 0 0 462.413 4.821 40 0 JJABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000032126614 556430473 /nfs/dbraw/zinc/43/04/73/556430473.db2.gz AETLXQBQBNHXCG-UHFFFAOYSA-N 0 0 481.537 4.738 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 ZINC000032126759 556430926 /nfs/dbraw/zinc/43/09/26/556430926.db2.gz VELFORQXUJHSSW-UHFFFAOYSA-N 0 0 456.984 4.558 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000032127996 556432815 /nfs/dbraw/zinc/43/28/15/556432815.db2.gz FXEWEWUKJNWTEY-UHFFFAOYSA-N 0 0 464.330 4.974 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032639713 556459169 /nfs/dbraw/zinc/45/91/69/556459169.db2.gz FODVNFWUJJKZDB-DLBZAZTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3cc(Cl)cc(Cl)c3)[C@H]2C1 ZINC000032639711 556459264 /nfs/dbraw/zinc/45/92/64/556459264.db2.gz FODVNFWUJJKZDB-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640512 556462862 /nfs/dbraw/zinc/46/28/62/556462862.db2.gz AAIUURPHUQFSHG-MOPGFXCFSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000032640518 556462897 /nfs/dbraw/zinc/46/28/97/556462897.db2.gz AHANNOGRVVRKFR-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 ZINC000032640526 556463093 /nfs/dbraw/zinc/46/30/93/556463093.db2.gz BSIYOSRZOLSQIP-RDJZCZTQSA-N 0 0 463.358 4.547 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640522 556463121 /nfs/dbraw/zinc/46/31/21/556463121.db2.gz UJTCGLHXCSJNIT-HKUYNNGSSA-N 0 0 455.432 4.885 40 0 JJABRN COc1cccc2[nH]c(C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514288960 560033652 /nfs/dbraw/zinc/03/36/52/560033652.db2.gz LQOLRRKJAFYGDI-IRXDYDNUSA-N 0 0 461.484 4.746 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)N(C)Cc1ccccc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898921 560049619 /nfs/dbraw/zinc/04/96/19/560049619.db2.gz BIJGCZZUJZMGCP-RKASRHCWSA-N 0 0 490.688 4.832 40 0 biogenic,in-vitro JJABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1 ZINC000067896801 560050321 /nfs/dbraw/zinc/05/03/21/560050321.db2.gz MIAQNIJCFYNBSS-ISKFKSNPSA-N 0 0 490.522 4.685 40 0 biogenic,in-vitro JJABRN O=C1[C@@H]2C[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111844 560060984 /nfs/dbraw/zinc/06/09/84/560060984.db2.gz DKZIJNXIWBLGFS-UNMCSNQZSA-N 0 0 453.464 4.669 40 0 biogenic,in-vitro JJABRN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442801 560079563 /nfs/dbraw/zinc/07/95/63/560079563.db2.gz VLCYNQMLUUMSLH-FUDKSRODSA-N 0 0 466.607 4.507 40 0 biogenic,in-vitro JJABRN Brc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccs1)=N2 ZINC000008645441 562948419 /nfs/dbraw/zinc/94/84/19/562948419.db2.gz HIGYGOCPODSZKY-UHFFFAOYSA-N 0 0 467.392 4.781 40 0 JJABRN Cc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000008666383 562948814 /nfs/dbraw/zinc/94/88/14/562948814.db2.gz YDSACXQZQSDTAX-UHFFFAOYSA-N 0 0 499.523 4.571 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000008680660 562951003 /nfs/dbraw/zinc/95/10/03/562951003.db2.gz RRQRFWPAHXDDNU-AREMUKBSSA-N 0 0 474.561 4.535 40 0 JJABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(N5CCCC5)CCC[C@H]23)OCO4)cc(OC)c1OC ZINC000054959700 569590365 /nfs/dbraw/zinc/59/03/65/569590365.db2.gz PQIBCMUEYYLERP-UFKXBGGNSA-N 0 0 453.535 4.558 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000057313485 569596708 /nfs/dbraw/zinc/59/67/08/569596708.db2.gz TZOKRVWNBNZWLK-UHFFFAOYSA-N 0 0 451.611 4.839 40 0 JJABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000057313873 569596800 /nfs/dbraw/zinc/59/68/00/569596800.db2.gz XDVICKNJENIKNW-UHFFFAOYSA-N 0 0 487.614 4.984 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(OC)c1 ZINC000057315592 569597093 /nfs/dbraw/zinc/59/70/93/569597093.db2.gz MTCYDZSKEIFNSY-UHFFFAOYSA-N 0 0 481.965 4.526 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)cc(C)c1I ZINC000057315857 569597300 /nfs/dbraw/zinc/59/73/00/569597300.db2.gz ZMNZSJUHGBJLOH-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000057316253 569597554 /nfs/dbraw/zinc/59/75/54/569597554.db2.gz BYJMIBAEQDLXNF-UHFFFAOYSA-N 0 0 493.460 4.815 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 ZINC000057316255 569597618 /nfs/dbraw/zinc/59/76/18/569597618.db2.gz LODSCFNAXJSUGF-UHFFFAOYSA-N 0 0 477.402 4.849 40 0 JJABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000057316398 569597772 /nfs/dbraw/zinc/59/77/72/569597772.db2.gz CPFAGPQYGSOHKM-UHFFFAOYSA-N 0 0 496.677 4.543 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000057316450 569597808 /nfs/dbraw/zinc/59/78/08/569597808.db2.gz HNNMMDXZRMTPQA-UHFFFAOYSA-N 0 0 474.630 4.661 40 0 JJABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 ZINC000057316393 569597815 /nfs/dbraw/zinc/59/78/15/569597815.db2.gz YBIMIJXLSLISQE-UHFFFAOYSA-N 0 0 496.677 4.543 40 0 JJABRN COc1ccc(C=CC(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000057316493 569597922 /nfs/dbraw/zinc/59/79/22/569597922.db2.gz YHNPHFFEFOJOIW-YIXHJXPBSA-N 0 0 471.376 4.922 40 0 JJABRN CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057316703 569597998 /nfs/dbraw/zinc/59/79/98/569597998.db2.gz YGPIGHYNYCTMII-UHFFFAOYSA-N 0 0 473.923 4.857 40 0 JJABRN CCCCn1nnc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 ZINC000057316635 569598014 /nfs/dbraw/zinc/59/80/14/569598014.db2.gz DXRGBCUWQAUMRX-FNORWQNLSA-N 0 0 465.366 4.566 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000057317122 569598338 /nfs/dbraw/zinc/59/83/38/569598338.db2.gz PYLVRTXUGYAXAS-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)CC2)cc1 ZINC000057317190 569598468 /nfs/dbraw/zinc/59/84/68/569598468.db2.gz ZIPOJUGMGQFDKW-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000057335591 569598991 /nfs/dbraw/zinc/59/89/91/569598991.db2.gz CROLELBKGPOPSF-UHFFFAOYSA-N 0 0 451.324 4.979 40 0 JJABRN COc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)nc2c(OC)c1 ZINC000059294229 569602472 /nfs/dbraw/zinc/60/24/72/569602472.db2.gz PKOZYSFOHCFUSH-PKNBQFBNSA-N 0 0 465.556 5.100 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c(OC)c1 ZINC000059294456 569602503 /nfs/dbraw/zinc/60/25/03/569602503.db2.gz YJWTTXGZXBZYEE-UHFFFAOYSA-N 0 0 469.950 4.736 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059435648 569603771 /nfs/dbraw/zinc/60/37/71/569603771.db2.gz QKSFHNYEFCWPPP-UHFFFAOYSA-N 0 0 493.810 4.932 40 0 JJABRN COc1ccc(C(=O)Cc2cc3cc(Br)cc(Br)c3oc2=O)cc1 ZINC000059474328 569604557 /nfs/dbraw/zinc/60/45/57/569604557.db2.gz VOJIINPXAJWUGE-UHFFFAOYSA-N 0 0 452.098 4.752 40 0 JJABRN CCC1=NN(C(=O)c2ccc(I)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000059489016 569605548 /nfs/dbraw/zinc/60/55/48/569605548.db2.gz FPDPCERMSKIAOV-GOSISDBHSA-N 0 0 499.146 4.511 40 0 JJABRN O=C(CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)NCc1ccco1 ZINC000059489651 569605775 /nfs/dbraw/zinc/60/57/75/569605775.db2.gz LRNUIMPZXSJEQB-UHFFFAOYSA-N 0 0 494.019 4.752 40 0 JJABRN Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(I)cc2)c1 ZINC000059502313 569606220 /nfs/dbraw/zinc/60/62/20/569606220.db2.gz RUKOHTAMDGGHLR-UHFFFAOYSA-N 0 0 496.304 4.500 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000059515900 569606452 /nfs/dbraw/zinc/60/64/52/569606452.db2.gz GDFQWNKZGFEPJC-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000059559082 569606781 /nfs/dbraw/zinc/60/67/81/569606781.db2.gz JCJDCBXINZYCRM-UHFFFAOYSA-N 0 0 492.620 4.673 40 0 JJABRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1C ZINC000059678040 569607431 /nfs/dbraw/zinc/60/74/31/569607431.db2.gz VSDMVPSRSJVYIL-QTTRZTASSA-N 0 0 482.580 4.775 40 0 JJABRN CCCn1c2nnc(SCc3c(F)cccc3Cl)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000032986042 569608679 /nfs/dbraw/zinc/60/86/79/569608679.db2.gz IWWWESUOXSMKDW-UHFFFAOYSA-N 0 0 487.988 4.677 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3C)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000032986110 569608804 /nfs/dbraw/zinc/60/88/04/569608804.db2.gz CXRVZQPOLUUWKI-UHFFFAOYSA-N 0 0 475.618 4.727 40 0 JJABRN COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)c(OC)c2)n1 ZINC000062715700 569614409 /nfs/dbraw/zinc/61/44/09/569614409.db2.gz KICFQVQWRMKWQP-VQHVLOKHSA-N 0 0 490.940 4.891 40 0 JJABRN O=C(CSc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)Nc1ccc(Cl)cc1 ZINC000033255025 569621932 /nfs/dbraw/zinc/62/19/32/569621932.db2.gz AIVQXUHYWXCMOD-UHFFFAOYSA-N 0 0 489.988 4.671 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 ZINC000033364480 569625127 /nfs/dbraw/zinc/62/51/27/569625127.db2.gz FJDPQDPGLWVABG-NRFANRHFSA-N 0 0 486.041 4.943 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)c(Cl)c1)c1ccccc1 ZINC000033392920 569625606 /nfs/dbraw/zinc/62/56/06/569625606.db2.gz NLJKCSSDDVBFPU-QGZVFWFLSA-N 0 0 465.015 4.597 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(c(C(F)(F)F)n1)CCC3)CCCC2 ZINC000033423850 569626212 /nfs/dbraw/zinc/62/62/12/569626212.db2.gz NBJJMGGDZGEDIZ-UHFFFAOYSA-N 0 0 485.553 4.832 40 0 JJABRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OC ZINC000033525759 569627277 /nfs/dbraw/zinc/62/72/77/569627277.db2.gz HAPRYVXWDRUEQP-CFFVULROSA-N 0 0 476.501 4.826 40 0 JJABRN 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ZINC000222575908 569886124 /nfs/dbraw/zinc/88/61/24/569886124.db2.gz OQGNJVPPZHFPJH-UHFFFAOYSA-N 0 0 496.972 4.925 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222577160 569886171 /nfs/dbraw/zinc/88/61/71/569886171.db2.gz YJGAJCJBAAKCRA-UHFFFAOYSA-N 0 0 476.554 4.580 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222591184 569886485 /nfs/dbraw/zinc/88/64/85/569886485.db2.gz KETDXTYALBGOLA-QHCPKHFHSA-N 0 0 456.920 4.547 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1ccccc1 ZINC000222595839 569886634 /nfs/dbraw/zinc/88/66/34/569886634.db2.gz ULCAYECIEDLPSW-XMMPIXPASA-N 0 0 479.418 4.768 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222605350 569886820 /nfs/dbraw/zinc/88/68/20/569886820.db2.gz JDTPGYCPYVYTEZ-IBGZPJMESA-N 0 0 455.357 4.843 40 0 JJABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000222628450 569887312 /nfs/dbraw/zinc/88/73/12/569887312.db2.gz NXDBBQZXOSSJBG-FQEVSTJZSA-N 0 0 496.629 4.778 40 0 JJABRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222634738 569887443 /nfs/dbraw/zinc/88/74/43/569887443.db2.gz PVVLEDKTUQDUIH-SFHVURJKSA-N 0 0 483.373 4.620 40 0 JJABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222634636 569887477 /nfs/dbraw/zinc/88/74/77/569887477.db2.gz DCNKGUPJAQYCHF-QGZVFWFLSA-N 0 0 483.373 4.620 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222638464 569887514 /nfs/dbraw/zinc/88/75/14/569887514.db2.gz FJASNFZQMNCBHK-UHFFFAOYSA-N 0 0 490.581 4.699 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(C)c1 ZINC000222642771 569887597 /nfs/dbraw/zinc/88/75/97/569887597.db2.gz RVZAZXDVAFEATG-XMMPIXPASA-N 0 0 479.418 4.686 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000222643162 569887613 /nfs/dbraw/zinc/88/76/13/569887613.db2.gz 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ZINC000222708552 569889199 /nfs/dbraw/zinc/88/91/99/569889199.db2.gz XTTBZWFGXFKXKP-INIZCTEOSA-N 0 0 486.977 4.711 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222713100 569889361 /nfs/dbraw/zinc/88/93/61/569889361.db2.gz VMLGGHZFKQNGGV-MHZLTWQESA-N 0 0 492.591 4.625 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222718245 569889473 /nfs/dbraw/zinc/88/94/73/569889473.db2.gz OGULXJVBMVWTGF-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000222729867 569889711 /nfs/dbraw/zinc/88/97/11/569889711.db2.gz XNNONNUTLHLRKR-IBGZPJMESA-N 0 0 480.992 4.633 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000222738975 569889972 /nfs/dbraw/zinc/88/99/72/569889972.db2.gz NJIZHVJNQJNMOM-JOCHJYFZSA-N 0 0 489.374 4.897 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 ZINC000222750005 569890220 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462.546 4.799 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000222764817 569890481 /nfs/dbraw/zinc/89/04/81/569890481.db2.gz RQGGMGCIQOSTIB-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222769304 569890624 /nfs/dbraw/zinc/89/06/24/569890624.db2.gz BWINCXRZLZQVRA-UHFFFAOYSA-N 0 0 492.572 4.889 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222771270 569890694 /nfs/dbraw/zinc/89/06/94/569890694.db2.gz QBSBWCVFAIAEHL-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000222775052 569890769 /nfs/dbraw/zinc/89/07/69/569890769.db2.gz BYNOFPDWDZXMDD-UHFFFAOYSA-N 0 0 456.995 4.988 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 ZINC000222776460 569890844 /nfs/dbraw/zinc/89/08/44/569890844.db2.gz BLEINCZCRYMYED-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222782699 569890952 /nfs/dbraw/zinc/89/09/52/569890952.db2.gz HVKBWNMSUHIRDS-HHHXNRCGSA-N 0 0 476.592 4.789 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222786591 569891033 /nfs/dbraw/zinc/89/10/33/569891033.db2.gz NXPRTGBKCZOURH-QFIPXVFZSA-N 0 0 489.374 4.897 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222786886 569891068 /nfs/dbraw/zinc/89/10/68/569891068.db2.gz YXLUYSRPAAJAQG-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 ZINC000222789306 569891099 /nfs/dbraw/zinc/89/10/99/569891099.db2.gz FRSRKZXLTBWZFF-HSZRJFAPSA-N 0 0 471.384 4.758 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222789868 569891113 /nfs/dbraw/zinc/89/11/13/569891113.db2.gz LJXVTNWFLYSTGJ-AREMUKBSSA-N 0 0 464.556 4.920 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccccc1Oc1ccccc1 ZINC000222790679 569891134 /nfs/dbraw/zinc/89/11/34/569891134.db2.gz PSYFMFIGJXCUNI-UHFFFAOYSA-N 0 0 460.555 4.715 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222791712 569891203 /nfs/dbraw/zinc/89/12/03/569891203.db2.gz FWPMQFXUMZHXNB-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000222803424 569891535 /nfs/dbraw/zinc/89/15/35/569891535.db2.gz ULTUFBCQGGKBNC-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222806364 569891565 /nfs/dbraw/zinc/89/15/65/569891565.db2.gz POMOWSYQKPGKIP-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000222810536 569891665 /nfs/dbraw/zinc/89/16/65/569891665.db2.gz IUTVZJSHYIEHQY-HNNXBMFYSA-N 0 0 481.818 4.813 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSCc2ccccc2)cc1 ZINC000222812384 569891727 /nfs/dbraw/zinc/89/17/27/569891727.db2.gz WAMIBNIPLZNUHI-JWGURIENSA-N 0 0 452.601 4.577 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1)c1ccccc1F ZINC000222812582 569891760 /nfs/dbraw/zinc/89/17/60/569891760.db2.gz WDTYMIDYAJTORD-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN Cc1ccc(CN(C)C(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000222822900 569891979 /nfs/dbraw/zinc/89/19/79/569891979.db2.gz YINVVEFHKJFXFY-UHFFFAOYSA-N 0 0 450.604 4.850 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000222831989 569892147 /nfs/dbraw/zinc/89/21/47/569892147.db2.gz OEZBEDGSSNZZLK-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222834802 569892213 /nfs/dbraw/zinc/89/22/13/569892213.db2.gz VFHFRUZSQZEHQR-QHCPKHFHSA-N 0 0 489.374 4.897 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222836632 569892268 /nfs/dbraw/zinc/89/22/68/569892268.db2.gz UZAUTQVLRMNJDE-DEOSSOPVSA-N 0 0 454.611 4.704 40 0 JJABRN CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000222837227 569892271 /nfs/dbraw/zinc/89/22/71/569892271.db2.gz NJYITAYLFISYFB-UHFFFAOYSA-N 0 0 497.375 4.971 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000222840243 569892387 /nfs/dbraw/zinc/89/23/87/569892387.db2.gz NTUSARCUJJFMRS-UHFFFAOYSA-N 0 0 460.555 4.715 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848668 569892579 /nfs/dbraw/zinc/89/25/79/569892579.db2.gz VNZBCVOYHXHDAC-SFHVURJKSA-N 0 0 465.421 4.885 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000222848234 569892582 /nfs/dbraw/zinc/89/25/82/569892582.db2.gz GVLBVJWMVUGVKW-UHFFFAOYSA-N 0 0 492.572 4.889 40 0 JJABRN C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848162 569892585 /nfs/dbraw/zinc/89/25/85/569892585.db2.gz WMAWEJXJGNAZOA-KRWDZBQOSA-N 0 0 456.373 4.665 40 0 JJABRN C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848235 569892594 /nfs/dbraw/zinc/89/25/94/569892594.db2.gz WMAWEJXJGNAZOA-QGZVFWFLSA-N 0 0 456.373 4.665 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222849123 569892626 /nfs/dbraw/zinc/89/26/26/569892626.db2.gz YNXIZIXBMNHYGW-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCc2cc(Br)ccc21 ZINC000222851317 569892707 /nfs/dbraw/zinc/89/27/07/569892707.db2.gz MECXJKCJRZISLG-UHFFFAOYSA-N 0 0 491.451 4.582 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222851786 569892732 /nfs/dbraw/zinc/89/27/32/569892732.db2.gz BOIBWJSQAKEDPI-XMMPIXPASA-N 0 0 456.652 4.877 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222852181 569892758 /nfs/dbraw/zinc/89/27/58/569892758.db2.gz XYCXJDNZKUNLRU-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000222852011 569892777 /nfs/dbraw/zinc/89/27/77/569892777.db2.gz VXEORZAUFVUJEE-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222864124 569893036 /nfs/dbraw/zinc/89/30/36/569893036.db2.gz DLMXYYZFNVJPDH-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1C(=O)N1CCCCC1 ZINC000222868091 569893116 /nfs/dbraw/zinc/89/31/16/569893116.db2.gz HFEDUCHCPMWFOZ-UHFFFAOYSA-N 0 0 454.617 4.666 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 ZINC000222874398 569893246 /nfs/dbraw/zinc/89/32/46/569893246.db2.gz MDAYWTSBVXOMLG-AREMUKBSSA-N 0 0 476.642 4.705 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222879858 569893422 /nfs/dbraw/zinc/89/34/22/569893422.db2.gz HNYRDYOMKYMOAA-LJQANCHMSA-N 0 0 498.982 4.643 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222885236 569893579 /nfs/dbraw/zinc/89/35/79/569893579.db2.gz VARPLUVNGAIYFU-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1Br ZINC000222890576 569893716 /nfs/dbraw/zinc/89/37/16/569893716.db2.gz LIMAMIQDAKOILG-INIZCTEOSA-N 0 0 479.390 4.607 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)ccc1Br ZINC000222890629 569893748 /nfs/dbraw/zinc/89/37/48/569893748.db2.gz LIMAMIQDAKOILG-MRXNPFEDSA-N 0 0 479.390 4.607 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000222893649 569893769 /nfs/dbraw/zinc/89/37/69/569893769.db2.gz ZPJGOGCKSMHGAH-HXUWFJFHSA-N 0 0 460.599 4.739 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000222913067 569894214 /nfs/dbraw/zinc/89/42/14/569894214.db2.gz YNYFBSOEBSWCIR-FQEVSTJZSA-N 0 0 478.614 4.647 40 0 JJABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222915535 569894325 /nfs/dbraw/zinc/89/43/25/569894325.db2.gz OBSRVRQYHAWPEV-NRFANRHFSA-N 0 0 492.641 4.955 40 0 JJABRN C[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222919486 569894372 /nfs/dbraw/zinc/89/43/72/569894372.db2.gz XEBZJUUEVFLXNO-AWEZNQCLSA-N 0 0 455.407 4.516 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222920532 569894389 /nfs/dbraw/zinc/89/43/89/569894389.db2.gz SVAHQTFWGUVXEB-CQSZACIVSA-N 0 0 488.959 4.881 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000222926824 569894561 /nfs/dbraw/zinc/89/45/61/569894561.db2.gz MOPUIFIXBYXLSG-GOSISDBHSA-N 0 0 461.002 4.623 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Cc1ccccc1 ZINC000222929580 569894667 /nfs/dbraw/zinc/89/46/67/569894667.db2.gz SPJDFKIAKRVPNA-UHFFFAOYSA-N 0 0 452.620 4.555 40 0 JJABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000222931018 569894731 /nfs/dbraw/zinc/89/47/31/569894731.db2.gz RAURHCBLWYOQCW-IBGZPJMESA-N 0 0 466.578 4.777 40 0 JJABRN O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2O1 ZINC000222935711 569894842 /nfs/dbraw/zinc/89/48/42/569894842.db2.gz XAOHVQKGHHCPDA-NDEPHWFRSA-N 0 0 476.576 4.972 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222934743 569894875 /nfs/dbraw/zinc/89/48/75/569894875.db2.gz VRKBLYDVVGCKMU-HXUWFJFHSA-N 0 0 495.845 4.856 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222940119 569895023 /nfs/dbraw/zinc/89/50/23/569895023.db2.gz CEMCWXMOEDYNSQ-OAHLLOKOSA-N 0 0 479.404 4.987 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2C)cc1 ZINC000222975464 569895878 /nfs/dbraw/zinc/89/58/78/569895878.db2.gz VFBUZHWIIJELBU-UHFFFAOYSA-N 0 0 462.622 4.709 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000222981357 569896035 /nfs/dbraw/zinc/89/60/35/569896035.db2.gz QBJCRKHELALBCP-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222983034 569896078 /nfs/dbraw/zinc/89/60/78/569896078.db2.gz MITAEYUDVWRQCL-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222986145 569896183 /nfs/dbraw/zinc/89/61/83/569896183.db2.gz FHNHCDSMKGKPJM-AWEZNQCLSA-N 0 0 469.832 4.748 40 0 JJABRN O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)c1ccc(Cl)cc1 ZINC000222985618 569896207 /nfs/dbraw/zinc/89/62/07/569896207.db2.gz NAGSYDBUUVXDTA-UHFFFAOYSA-N 0 0 483.398 4.546 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(C)cc1 ZINC000222987859 569896305 /nfs/dbraw/zinc/89/63/05/569896305.db2.gz FHAZGBLASJDLJK-KRWDZBQOSA-N 0 0 463.441 4.793 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222990680 569896353 /nfs/dbraw/zinc/89/63/53/569896353.db2.gz JTOXZIBVBTXEKL-HHHXNRCGSA-N 0 0 488.628 4.795 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222997105 569896519 /nfs/dbraw/zinc/89/65/19/569896519.db2.gz RTVLTQWDSPJQKV-HXUWFJFHSA-N 0 0 464.993 4.667 40 0 JJABRN COc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223016170 569896896 /nfs/dbraw/zinc/89/68/96/569896896.db2.gz JVUPMAGUFMNPKC-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000223017605 569896910 /nfs/dbraw/zinc/89/69/10/569896910.db2.gz RWADWTFTSHMVRB-MUUNZHRXSA-N 0 0 488.628 4.659 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Br)cc1 ZINC000223017011 569896918 /nfs/dbraw/zinc/89/69/18/569896918.db2.gz CBYZUBHAFGOOAH-FQEVSTJZSA-N 0 0 463.441 4.544 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223021878 569897002 /nfs/dbraw/zinc/89/70/02/569897002.db2.gz XGAIGLWMVTWPMR-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223023222 569897047 /nfs/dbraw/zinc/89/70/47/569897047.db2.gz NRDSTKJEFNLTKM-SANMLTNESA-N 0 0 492.591 4.625 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223027059 569897145 /nfs/dbraw/zinc/89/71/45/569897145.db2.gz MVMWUOJCAVSDPJ-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223029501 569897227 /nfs/dbraw/zinc/89/72/27/569897227.db2.gz VTTBXMQSRFRODK-UXHICEINSA-N 0 0 476.371 4.862 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223030097 569897247 /nfs/dbraw/zinc/89/72/47/569897247.db2.gz LMSXKLFSQXLYHM-VQTJNVASSA-N 0 0 476.371 4.862 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C(C)C ZINC000223031266 569897304 /nfs/dbraw/zinc/89/73/04/569897304.db2.gz PREFDYXHTQEKGR-QGZVFWFLSA-N 0 0 461.400 4.505 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C(C)C ZINC000223031327 569897312 /nfs/dbraw/zinc/89/73/12/569897312.db2.gz PREFDYXHTQEKGR-KRWDZBQOSA-N 0 0 461.400 4.505 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223035940 569897458 /nfs/dbraw/zinc/89/74/58/569897458.db2.gz ZOALVYGNRHSVLV-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223037922 569897468 /nfs/dbraw/zinc/89/74/68/569897468.db2.gz PMHDDIQGJFLXNI-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223046616 569897688 /nfs/dbraw/zinc/89/76/88/569897688.db2.gz HMKBLSCMUFALJO-OAQYLSRUSA-N 0 0 475.427 4.813 40 0 JJABRN COc1cccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223049123 569897744 /nfs/dbraw/zinc/89/77/44/569897744.db2.gz FRYHFCAGBHMYAE-SFHVURJKSA-N 0 0 461.002 4.676 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223057594 569898021 /nfs/dbraw/zinc/89/80/21/569898021.db2.gz FPGFHCMZKKLEPE-LJQANCHMSA-N 0 0 454.611 4.704 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000223060173 569898085 /nfs/dbraw/zinc/89/80/85/569898085.db2.gz RMWGTXFAVDNKPZ-YZVOILCLSA-N 0 0 451.958 4.903 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000223060228 569898122 /nfs/dbraw/zinc/89/81/22/569898122.db2.gz RMWGTXFAVDNKPZ-DOXZYTNZSA-N 0 0 451.958 4.903 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061832 569898173 /nfs/dbraw/zinc/89/81/73/569898173.db2.gz RMLMYTKGBHHSAY-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000223063353 569898260 /nfs/dbraw/zinc/89/82/60/569898260.db2.gz DYYJHINUPFUNCL-FQEVSTJZSA-N 0 0 463.441 4.544 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223063301 569898264 /nfs/dbraw/zinc/89/82/64/569898264.db2.gz JERBTSQRSUTUSJ-JOCHJYFZSA-N 0 0 461.027 4.884 40 0 JJABRN CC[C@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223065478 569898324 /nfs/dbraw/zinc/89/83/24/569898324.db2.gz VQKHKQWMQHPPTB-VWLOTQADSA-N 0 0 456.652 4.996 40 0 JJABRN 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CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223177675 569902196 /nfs/dbraw/zinc/90/21/96/569902196.db2.gz FRKMNAPCLRQKEN-RBUKOAKNSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223179440 569902284 /nfs/dbraw/zinc/90/22/84/569902284.db2.gz CLLGJNJVULPYFN-CYBMUJFWSA-N 0 0 483.468 4.529 40 0 JJABRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000223185717 569902688 /nfs/dbraw/zinc/90/26/88/569902688.db2.gz ITKHVNSANGBRGU-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000223188873 569902721 /nfs/dbraw/zinc/90/27/21/569902721.db2.gz USEWKEICJPJSCF-IBGZPJMESA-N 0 0 478.636 4.592 40 0 JJABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223195743 569902984 /nfs/dbraw/zinc/90/29/84/569902984.db2.gz VIXIREMBDGTWIR-KRWDZBQOSA-N 0 0 461.027 4.740 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223198312 569903075 /nfs/dbraw/zinc/90/30/75/569903075.db2.gz XKBRCLOSDFBBHW-HHHXNRCGSA-N 0 0 476.592 4.933 40 0 JJABRN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)ccc1Cl ZINC000223198103 569903111 /nfs/dbraw/zinc/90/31/11/569903111.db2.gz BUNJOKUPJAZLMF-DQEYMECFSA-N 0 0 496.080 4.529 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1 ZINC000223197985 569903142 /nfs/dbraw/zinc/90/31/42/569903142.db2.gz YESQPCWFJLXQMY-SANMLTNESA-N 0 0 462.565 4.891 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223199296 569903174 /nfs/dbraw/zinc/90/31/74/569903174.db2.gz JXHBIWIMNBMATM-DEOSSOPVSA-N 0 0 476.548 4.611 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223201025 569903261 /nfs/dbraw/zinc/90/32/61/569903261.db2.gz FRDSBZGQUAVRAA-RBUKOAKNSA-N 0 0 459.428 4.940 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223203343 569903289 /nfs/dbraw/zinc/90/32/89/569903289.db2.gz TZCGGUYAEKYCHI-SJORKVTESA-N 0 0 463.441 4.873 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc2c(c1)CCC2 ZINC000223202896 569903292 /nfs/dbraw/zinc/90/32/92/569903292.db2.gz QCUODEXQGWFCPI-HRAATJIYSA-N 0 0 495.472 4.901 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223208024 569903479 /nfs/dbraw/zinc/90/34/79/569903479.db2.gz WQBPNDFUCVTPGR-NDEPHWFRSA-N 0 0 490.619 4.940 40 0 JJABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223207808 569903489 /nfs/dbraw/zinc/90/34/89/569903489.db2.gz BNEKMUYHCMDXNC-HHHXNRCGSA-N 0 0 476.592 4.551 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223207552 569903520 /nfs/dbraw/zinc/90/35/20/569903520.db2.gz GTBRDSBMOGRTKO-NDEPHWFRSA-N 0 0 481.571 4.720 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223209395 569903543 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COc1cccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223405890 569910110 /nfs/dbraw/zinc/91/01/10/569910110.db2.gz UZIRZNGNIVTNKZ-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223406273 569910127 /nfs/dbraw/zinc/91/01/27/569910127.db2.gz RDILNPYTSAILLN-DQEYMECFSA-N 0 0 468.582 4.832 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)cc1OC ZINC000223406449 569910167 /nfs/dbraw/zinc/91/01/67/569910167.db2.gz ICZSSNWSOSXRLJ-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000223408187 569910262 /nfs/dbraw/zinc/91/02/62/569910262.db2.gz YHKQTVQLYCOOSZ-DEOSSOPVSA-N 0 0 468.956 4.634 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c2ccccc2)cc1 ZINC000223408815 569910283 /nfs/dbraw/zinc/91/02/83/569910283.db2.gz NHQOMOUILDMEMS-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223413469 569910486 /nfs/dbraw/zinc/91/04/86/569910486.db2.gz WFPLTUBOGDCRIN-FQEVSTJZSA-N 0 0 469.434 4.789 40 0 JJABRN CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223421275 569910721 /nfs/dbraw/zinc/91/07/21/569910721.db2.gz VWXLEKTZFMVNSR-KRWDZBQOSA-N 0 0 479.027 4.659 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223421338 569910725 /nfs/dbraw/zinc/91/07/25/569910725.db2.gz VWXLEKTZFMVNSR-QGZVFWFLSA-N 0 0 479.027 4.659 40 0 JJABRN COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000223434412 569911286 /nfs/dbraw/zinc/91/12/86/569911286.db2.gz IBJRKADUBIGNJX-SANMLTNESA-N 0 0 480.992 4.642 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223435864 569911323 /nfs/dbraw/zinc/91/13/23/569911323.db2.gz IGBXOEXGUFWCIH-VPUSJEBWSA-N 0 0 493.003 4.784 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223435975 569911328 /nfs/dbraw/zinc/91/13/28/569911328.db2.gz MPYXLGZACIIZPN-HXUWFJFHSA-N 0 0 479.390 4.689 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223434706 569911348 /nfs/dbraw/zinc/91/13/48/569911348.db2.gz VDRLTJFUYWOWAM-HSZRJFAPSA-N 0 0 458.574 4.715 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223435715 569911354 /nfs/dbraw/zinc/91/13/54/569911354.db2.gz IGBXOEXGUFWCIH-AHKZPQOWSA-N 0 0 493.003 4.784 40 0 JJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223435551 569911358 /nfs/dbraw/zinc/91/13/58/569911358.db2.gz WHTIMQQSZAPTQT-DQEYMECFSA-N 0 0 455.587 4.508 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)c(C)c1 ZINC000223438233 569911439 /nfs/dbraw/zinc/91/14/39/569911439.db2.gz ZHDVFBWHYAIOJW-SANMLTNESA-N 0 0 462.565 4.598 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cc(C)ccc1C ZINC000223442181 569911552 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KNVHGEOGWHDLMU-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1Cc1ccncc1 ZINC000223525475 569914545 /nfs/dbraw/zinc/91/45/45/569914545.db2.gz XWGHNNOABRCPHH-DQEYMECFSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1Cc1cccnc1 ZINC000223525166 569914550 /nfs/dbraw/zinc/91/45/50/569914550.db2.gz GMRWGDGBLCLBGB-LOSJGSFVSA-N 0 0 454.603 4.511 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223526785 569914570 /nfs/dbraw/zinc/91/45/70/569914570.db2.gz DHLXDRQWRYLYGA-MRXNPFEDSA-N 0 0 476.957 4.560 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCC1CCCCC1 ZINC000223532367 569914811 /nfs/dbraw/zinc/91/48/11/569914811.db2.gz CGUWOCXPZVIXJC-UHFFFAOYSA-N 0 0 455.407 4.885 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3cccc4ccccc43)c2)cc1 ZINC000223534388 569914912 /nfs/dbraw/zinc/91/49/12/569914912.db2.gz GGZDLRMWESSEOH-UHFFFAOYSA-N 0 0 460.555 4.758 40 0 JJABRN 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RZSIKIHRGIIAIL-UHFFFAOYSA-N 0 0 452.576 4.592 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223555488 569915837 /nfs/dbraw/zinc/91/58/37/569915837.db2.gz WHAFVCPXTHXQKX-MHZLTWQESA-N 0 0 474.601 4.789 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223557107 569915913 /nfs/dbraw/zinc/91/59/13/569915913.db2.gz PIGUGFVINFENEN-UHFFFAOYSA-N 0 0 471.022 4.765 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCc2ccccn2)c2ccccc2)cc1 ZINC000223560620 569916086 /nfs/dbraw/zinc/91/60/86/569916086.db2.gz AKXZAVDHEWUNII-LJAQVGFWSA-N 0 0 479.580 4.719 40 0 JJABRN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223561048 569916099 /nfs/dbraw/zinc/91/60/99/569916099.db2.gz CCUILUADOKIRGJ-MUUNZHRXSA-N 0 0 474.601 4.551 40 0 JJABRN COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223563247 569916169 /nfs/dbraw/zinc/91/61/69/569916169.db2.gz YPCKMEIKXSPCIT-MUUNZHRXSA-N 0 0 474.601 4.551 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc2Cl)cc1 ZINC000223562172 569916210 /nfs/dbraw/zinc/91/62/10/569916210.db2.gz VWGZCFOYEYVEGY-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223576015 569916613 /nfs/dbraw/zinc/91/66/13/569916613.db2.gz CJVBCZJBJGJOMG-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000223583730 569916873 /nfs/dbraw/zinc/91/68/73/569916873.db2.gz WOKMSBBAHJGLIJ-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000223587572 569917024 /nfs/dbraw/zinc/91/70/24/569917024.db2.gz UDDDMFKTXQPCRT-UHFFFAOYSA-N 0 0 474.582 4.539 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223591531 569917145 /nfs/dbraw/zinc/91/71/45/569917145.db2.gz UMXIOJSNVSADRC-DEOSSOPVSA-N 0 0 497.408 4.907 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000223595786 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ZINC000223800304 569923769 /nfs/dbraw/zinc/92/37/69/569923769.db2.gz VKGRFYJGRUQYIY-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOc1ccccc1CCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223801651 569923815 /nfs/dbraw/zinc/92/38/15/569923815.db2.gz RJFKVNJWFWMLMT-PYCFMQQDSA-N 0 0 494.613 4.684 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805393 569923906 /nfs/dbraw/zinc/92/39/06/569923906.db2.gz FEDLVSYWQZUDSO-LJQANCHMSA-N 0 0 487.438 4.921 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223809660 569924053 /nfs/dbraw/zinc/92/40/53/569924053.db2.gz WUADSQBUQVRHME-HSZRJFAPSA-N 0 0 460.615 4.791 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223821834 569924291 /nfs/dbraw/zinc/92/42/91/569924291.db2.gz ZIHRUHFEOOKKKH-IBGZPJMESA-N 0 0 487.449 4.857 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O ZINC000223824349 569924372 /nfs/dbraw/zinc/92/43/72/569924372.db2.gz RGXLVYDLQBQUSN-UHFFFAOYSA-N 0 0 467.031 4.513 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223824028 569924394 /nfs/dbraw/zinc/92/43/94/569924394.db2.gz GBIHFZKJCALAAD-UHFFFAOYSA-N 0 0 486.556 4.570 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223836263 569924718 /nfs/dbraw/zinc/92/47/18/569924718.db2.gz NDJASKLDVIYYRC-OAHLLOKOSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)s2)cc1 ZINC000223835536 569924733 /nfs/dbraw/zinc/92/47/33/569924733.db2.gz ZTMFPJSAIZQJJA-UHFFFAOYSA-N 0 0 478.599 4.732 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223837744 569924798 /nfs/dbraw/zinc/92/47/98/569924798.db2.gz ZKUROJBLBJVAML-FQEVSTJZSA-N 0 0 450.604 4.884 40 0 JJABRN CCOc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223840104 569924829 /nfs/dbraw/zinc/92/48/29/569924829.db2.gz UMBQYEDXORILMP-LJQANCHMSA-N 0 0 487.021 4.854 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867425 569925638 /nfs/dbraw/zinc/92/56/38/569925638.db2.gz ZBBWLDYWSLIWPV-LOSJGSFVSA-N 0 0 455.587 4.821 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223869144 569925731 /nfs/dbraw/zinc/92/57/31/569925731.db2.gz JLNRLVCMAVWJSI-GOSISDBHSA-N 0 0 458.599 4.544 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223880287 569926026 /nfs/dbraw/zinc/92/60/26/569926026.db2.gz MNDLLNYDXUZVIY-LJQANCHMSA-N 0 0 475.564 4.663 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 ZINC000223885115 569926259 /nfs/dbraw/zinc/92/62/59/569926259.db2.gz CCYAZCUUJAVIBS-UHFFFAOYSA-N 0 0 464.631 4.941 40 0 JJABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)nc1 ZINC000223887046 569926312 /nfs/dbraw/zinc/92/63/12/569926312.db2.gz XUJZMHCVGIKSSV-RPBOFIJWSA-N 0 0 454.603 4.819 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223891867 569926443 /nfs/dbraw/zinc/92/64/43/569926443.db2.gz KXXNYOCNKRUPSP-LJQANCHMSA-N 0 0 454.586 4.978 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223900089 569926673 /nfs/dbraw/zinc/92/66/73/569926673.db2.gz UBGBJAQMATVYPN-IBGZPJMESA-N 0 0 454.586 4.978 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223901485 569926733 /nfs/dbraw/zinc/92/67/33/569926733.db2.gz KSGVQRXVEAXGSS-IBGZPJMESA-N 0 0 464.603 4.752 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000223903455 569926783 /nfs/dbraw/zinc/92/67/83/569926783.db2.gz GGUBVKFQFMOSFE-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000223907115 569926860 /nfs/dbraw/zinc/92/68/60/569926860.db2.gz CXPKVFSFMRLECS-UHFFFAOYSA-N 0 0 450.604 4.636 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223910329 569926980 /nfs/dbraw/zinc/92/69/80/569926980.db2.gz IMBYEGIHRXNHJA-KRWDZBQOSA-N 0 0 451.394 4.851 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223912312 569927046 /nfs/dbraw/zinc/92/70/46/569927046.db2.gz VGGVGMXCFREQSN-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN Cc1cccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223914067 569927086 /nfs/dbraw/zinc/92/70/86/569927086.db2.gz NROCFIXJDKBMOX-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223917860 569927211 /nfs/dbraw/zinc/92/72/11/569927211.db2.gz RBSGXAKKYOLELF-GOSISDBHSA-N 0 0 491.426 4.560 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(N2CCOCC2)cc1 ZINC000223920251 569927344 /nfs/dbraw/zinc/92/73/44/569927344.db2.gz WKXUPLQYWCLXMQ-SFTDATJTSA-N 0 0 457.024 4.810 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223921443 569927374 /nfs/dbraw/zinc/92/73/74/569927374.db2.gz BUJLDQTVWKRQKR-SFHVURJKSA-N 0 0 475.427 4.895 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)cc1C ZINC000223921898 569927379 /nfs/dbraw/zinc/92/73/79/569927379.db2.gz RYPAFLOUCOMJOE-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1F ZINC000223929034 569927630 /nfs/dbraw/zinc/92/76/30/569927630.db2.gz ORGBZQNDXYDFSJ-INIZCTEOSA-N 0 0 481.431 4.765 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 ZINC000223933775 569927720 /nfs/dbraw/zinc/92/77/20/569927720.db2.gz VTDKCWQIOKCJLD-QGZVFWFLSA-N 0 0 463.441 4.626 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223937652 569927822 /nfs/dbraw/zinc/92/78/22/569927822.db2.gz JWCBAILENSGTCP-HNNXBMFYSA-N 0 0 467.368 4.987 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)c1 ZINC000223942026 569927911 /nfs/dbraw/zinc/92/79/11/569927911.db2.gz LZVIYDCHZHLIPZ-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223945449 569928096 /nfs/dbraw/zinc/92/80/96/569928096.db2.gz UTCIOYVVRGFLAM-SVBPBHIXSA-N 0 0 497.624 4.592 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000223948829 569928133 /nfs/dbraw/zinc/92/81/33/569928133.db2.gz KUNAJFVCMAOECC-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954735 569928296 /nfs/dbraw/zinc/92/82/96/569928296.db2.gz IXFPPCAMTIPZIX-KAYWLYCHSA-N 0 0 481.625 4.886 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954781 569928298 /nfs/dbraw/zinc/92/82/98/569928298.db2.gz IXFPPCAMTIPZIX-SVBPBHIXSA-N 0 0 481.625 4.886 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000223964992 569928718 /nfs/dbraw/zinc/92/87/18/569928718.db2.gz SXJCAVSSRKNEMX-WXVAWEFUSA-N 0 0 458.602 4.793 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223966413 569928752 /nfs/dbraw/zinc/92/87/52/569928752.db2.gz SGBSVTZMBFOGQU-IBGZPJMESA-N 0 0 475.427 4.697 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223967682 569928799 /nfs/dbraw/zinc/92/87/99/569928799.db2.gz HZQAWOXLURAUTE-JWQCQUIFSA-N 0 0 468.586 4.711 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1F ZINC000223973878 569929089 /nfs/dbraw/zinc/92/90/89/569929089.db2.gz OLYMRHFQJUEXID-INIZCTEOSA-N 0 0 481.431 4.765 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223978546 569929246 /nfs/dbraw/zinc/92/92/46/569929246.db2.gz JSPFMWRNBJHREE-XMMPIXPASA-N 0 0 454.611 4.723 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000223981125 569929324 /nfs/dbraw/zinc/92/93/24/569929324.db2.gz PMOZJCNHYREFOQ-UHFFFAOYSA-N 0 0 450.438 4.767 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000223990722 569929720 /nfs/dbraw/zinc/92/97/20/569929720.db2.gz UMCLJWOPYRZLSP-DEOSSOPVSA-N 0 0 456.652 4.961 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223991902 569929731 /nfs/dbraw/zinc/92/97/31/569929731.db2.gz JAKFDJUKXDHOKG-DEOSSOPVSA-N 0 0 472.651 4.661 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccnc1 ZINC000224004789 569930164 /nfs/dbraw/zinc/93/01/64/569930164.db2.gz AFUJSPWBRCGMSP-JWQCQUIFSA-N 0 0 469.570 4.790 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000224005293 569930202 /nfs/dbraw/zinc/93/02/02/569930202.db2.gz WAAHLUXPIBHMAE-OAHLLOKOSA-N 0 0 469.434 4.789 40 0 JJABRN S=C(NCC1(c2ccccc2)CCOCC1)Nc1ncc(Br)cc1Br ZINC000224009997 569930288 /nfs/dbraw/zinc/93/02/88/569930288.db2.gz RAOSXXHQIHECIL-UHFFFAOYSA-N 0 0 485.245 4.641 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000224014105 569930497 /nfs/dbraw/zinc/93/04/97/569930497.db2.gz JGYJHHUDSDEXER-AREMUKBSSA-N 0 0 488.628 4.803 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F ZINC000224016894 569930646 /nfs/dbraw/zinc/93/06/46/569930646.db2.gz RSXVQRDOFZXFLX-JIPXPUAJSA-N 0 0 476.592 4.932 40 0 JJABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000224019313 569930724 /nfs/dbraw/zinc/93/07/24/569930724.db2.gz UIGVOQHQCNKNRY-SFHVURJKSA-N 0 0 460.665 4.883 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224036275 569931375 /nfs/dbraw/zinc/93/13/75/569931375.db2.gz LEKHBQRDUJCAPP-LOSJGSFVSA-N 0 0 498.564 4.565 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224036758 569931402 /nfs/dbraw/zinc/93/14/02/569931402.db2.gz QPGDEDAXBHNPHV-FQEVSTJZSA-N 0 0 452.595 4.674 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224038318 569931465 /nfs/dbraw/zinc/93/14/65/569931465.db2.gz JVFZKJQWSDOGIM-SFHVURJKSA-N 0 0 458.599 4.544 40 0 JJABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1Cl ZINC000224046503 569931620 /nfs/dbraw/zinc/93/16/20/569931620.db2.gz AXBYRCAHCVIADV-VXKWHMMOSA-N 0 0 456.999 4.584 40 0 JJABRN CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 ZINC000224047458 569931671 /nfs/dbraw/zinc/93/16/71/569931671.db2.gz KRPOCWIICVMUHI-CYBMUJFWSA-N 0 0 483.468 4.530 40 0 JJABRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1Cl ZINC000224048690 569931753 /nfs/dbraw/zinc/93/17/53/569931753.db2.gz AAABOIRAHNZSGP-PKTZIBPZSA-N 0 0 471.026 4.893 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)cc(C)c2)c2ccc(C)c(C)c2)cc1 ZINC000224060460 569931977 /nfs/dbraw/zinc/93/19/77/569931977.db2.gz SYYWGHZGNRPWHV-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)cc(C)c2)c2ccccc2Cl)cc1 ZINC000224060712 569931993 /nfs/dbraw/zinc/93/19/93/569931993.db2.gz NXPXKBBAAYBQQT-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 ZINC000224066830 569932223 /nfs/dbraw/zinc/93/22/23/569932223.db2.gz ZKCUVOUMUCKGFS-HHHXNRCGSA-N 0 0 474.601 4.549 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC ZINC000224067006 569932227 /nfs/dbraw/zinc/93/22/27/569932227.db2.gz HYWREROIFMWZIH-VWLOTQADSA-N 0 0 474.601 4.549 40 0 JJABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000224067395 569932249 /nfs/dbraw/zinc/93/22/49/569932249.db2.gz UKMREYZYGVLGBO-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1 ZINC000224068452 569932319 /nfs/dbraw/zinc/93/23/19/569932319.db2.gz CMUJHQDKJZYDGL-XMMPIXPASA-N 0 0 484.593 4.914 40 0 JJABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OCCOC)c(Cl)c1 ZINC000224073042 569932414 /nfs/dbraw/zinc/93/24/14/569932414.db2.gz NRAWBMRTAHCGJT-FCHUYYIVSA-N 0 0 456.999 4.759 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc(C)c1Br ZINC000224076091 569932537 /nfs/dbraw/zinc/93/25/37/569932537.db2.gz BRBCOISSSGXZPQ-QGZVFWFLSA-N 0 0 493.417 4.916 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2C)cc1 ZINC000224085627 569932805 /nfs/dbraw/zinc/93/28/05/569932805.db2.gz DHUKBKYYRHUTNN-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000224090181 569932966 /nfs/dbraw/zinc/93/29/66/569932966.db2.gz VIZQBFLCZNDZBE-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN Cc1cc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224089936 569932969 /nfs/dbraw/zinc/93/29/69/569932969.db2.gz RIYUSLQBCRCXDY-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000224089914 569932986 /nfs/dbraw/zinc/93/29/86/569932986.db2.gz JXKOZNJNWBEUQQ-MRXNPFEDSA-N 0 0 453.435 4.823 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224102123 569933269 /nfs/dbraw/zinc/93/32/69/569933269.db2.gz OGYBPSGPAJTHNF-MHZLTWQESA-N 0 0 458.602 4.712 40 0 JJABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000224105126 569933288 /nfs/dbraw/zinc/93/32/88/569933288.db2.gz NVCBVBVVQNDDCK-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000224105137 569933299 /nfs/dbraw/zinc/93/32/99/569933299.db2.gz GSOIZVWJFZYFTK-UHFFFAOYSA-N 0 0 479.042 4.621 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1F ZINC000224108107 569933465 /nfs/dbraw/zinc/93/34/65/569933465.db2.gz GIMVQIFQCFHLQN-RUZDIDTESA-N 0 0 462.565 4.679 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000224109232 569933540 /nfs/dbraw/zinc/93/35/40/569933540.db2.gz BTBKKQQYPMPSMJ-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1ccc(C)c(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224112588 569933604 /nfs/dbraw/zinc/93/36/04/569933604.db2.gz IZDKDNCDXDJPLV-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000224120590 569933836 /nfs/dbraw/zinc/93/38/36/569933836.db2.gz SEAKYMYBSUPMLO-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224121387 569933844 /nfs/dbraw/zinc/93/38/44/569933844.db2.gz OOJQFABRSOADJE-OAHLLOKOSA-N 0 0 465.819 4.977 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)cc1OCC ZINC000224136362 569934219 /nfs/dbraw/zinc/93/42/19/569934219.db2.gz FLAROZFLYWMAFU-QFIPXVFZSA-N 0 0 468.638 4.915 40 0 JJABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000224144329 569934388 /nfs/dbraw/zinc/93/43/88/569934388.db2.gz KLIOXBMVFFQSRA-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224150270 569934551 /nfs/dbraw/zinc/93/45/51/569934551.db2.gz FMHPPNBFPSNCDG-SFHVURJKSA-N 0 0 459.428 4.940 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000224155420 569934799 /nfs/dbraw/zinc/93/47/99/569934799.db2.gz 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QVPTVLKAGNZUDL-UHFFFAOYSA-N 0 0 481.774 4.928 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 ZINC000225540679 570003881 /nfs/dbraw/zinc/00/38/81/570003881.db2.gz FMEIMAPMYOHWTM-XMMPIXPASA-N 0 0 495.417 4.522 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000225539858 570003883 /nfs/dbraw/zinc/00/38/83/570003883.db2.gz FEZGBQDKNQHWBD-HHHXNRCGSA-N 0 0 458.602 4.849 40 0 JJABRN CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000225542155 570004154 /nfs/dbraw/zinc/00/41/54/570004154.db2.gz YNZFXMIUGDUIAY-SXOMAYOGSA-N 0 0 496.640 4.831 40 0 JJABRN CC(C)C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225542838 570004289 /nfs/dbraw/zinc/00/42/89/570004289.db2.gz AZOQSQFAIIJUFM-KRWDZBQOSA-N 0 0 465.000 4.510 40 0 JJABRN Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)c(Br)cc1C ZINC000408665871 570004226 /nfs/dbraw/zinc/00/42/26/570004226.db2.gz QSWKCXCAVFONRT-UHFFFAOYSA-N 0 0 461.356 4.665 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 ZINC000225543635 570004272 /nfs/dbraw/zinc/00/42/72/570004272.db2.gz PEBQKTZPWTVADD-XMSQKQJNSA-N 0 0 491.053 4.940 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225544287 570004387 /nfs/dbraw/zinc/00/43/87/570004387.db2.gz FQMZXAWSGJZYHK-OFVILXPXSA-N 0 0 454.611 4.885 40 0 JJABRN CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000408666082 570004390 /nfs/dbraw/zinc/00/43/90/570004390.db2.gz NRFPIMIQOXPUAR-UHFFFAOYSA-N 0 0 476.529 4.697 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408666012 570004409 /nfs/dbraw/zinc/00/44/09/570004409.db2.gz NCFGNPYTTZOFOH-UHFFFAOYSA-N 0 0 450.457 4.731 40 0 JJABRN Cc1c(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)ccc1Br ZINC000408666415 570004732 /nfs/dbraw/zinc/00/47/32/570004732.db2.gz ZNWJCHANSVMYFI-UHFFFAOYSA-N 0 0 467.747 4.620 40 0 JJABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c(C)c1 ZINC000408666250 570004617 /nfs/dbraw/zinc/00/46/17/570004617.db2.gz XTFYOSNFLDGSGM-UHFFFAOYSA-N 0 0 467.747 4.620 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000225547215 570004673 /nfs/dbraw/zinc/00/46/73/570004673.db2.gz CKLDAZMLUOKOEK-IEBWSBKVSA-N 0 0 463.043 4.916 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c(Br)c1 ZINC000225548684 570004850 /nfs/dbraw/zinc/00/48/50/570004850.db2.gz CKNRVSVBEOHQDI-INIZCTEOSA-N 0 0 495.845 4.986 40 0 JJABRN Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)c(Br)cc1C ZINC000408667093 570005072 /nfs/dbraw/zinc/00/50/72/570005072.db2.gz JDPYGWPFKOYODO-UHFFFAOYSA-N 0 0 481.774 4.928 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCC3(c4ccccc4)CCOCC3)c2)cc1 ZINC000225551699 570005131 /nfs/dbraw/zinc/00/51/31/570005131.db2.gz KGSWGGRWRHKRST-UHFFFAOYSA-N 0 0 499.032 4.927 40 0 JJABRN Cc1cccc([C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2)c1 ZINC000225553935 570005300 /nfs/dbraw/zinc/00/53/00/570005300.db2.gz YDMFGDMRHDDUMS-RCZVLFRGSA-N 0 0 483.033 4.955 40 0 JJABRN O=C(NCCCc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225555929 570005349 /nfs/dbraw/zinc/00/53/49/570005349.db2.gz CRPKWALIMZMWNQ-OAQYLSRUSA-N 0 0 471.022 4.643 40 0 JJABRN Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000408667708 570005423 /nfs/dbraw/zinc/00/54/23/570005423.db2.gz JRRYAJZFHDBSNA-UHFFFAOYSA-N 0 0 456.848 4.876 40 0 JJABRN COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c(OC)c1 ZINC000408668122 570005822 /nfs/dbraw/zinc/00/58/22/570005822.db2.gz CPSKIASOYNGFIK-UHFFFAOYSA-N 0 0 481.302 4.519 40 0 JJABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000225565817 570006192 /nfs/dbraw/zinc/00/61/92/570006192.db2.gz NRSWJDYNHZXNSU-SXOMAYOGSA-N 0 0 496.640 4.885 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2C)c1 ZINC000225568140 570006234 /nfs/dbraw/zinc/00/62/34/570006234.db2.gz AMNDQQHPVCUGAH-UHFFFAOYSA-N 0 0 464.572 4.875 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408669000 570006253 /nfs/dbraw/zinc/00/62/53/570006253.db2.gz WQLOQPUFZLECRN-JUJAOGAQSA-N 0 0 450.321 4.793 40 0 JJABRN Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000225568562 570006332 /nfs/dbraw/zinc/00/63/32/570006332.db2.gz HNARWSMTVXJRFJ-DNQXCXABSA-N 0 0 461.635 4.948 40 0 JJABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)cc2)cc1 ZINC000408669303 570006427 /nfs/dbraw/zinc/00/64/27/570006427.db2.gz VTHZXVVTIFLTIX-DFCKQENNSA-N 0 0 496.563 4.864 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225569747 570006487 /nfs/dbraw/zinc/00/64/87/570006487.db2.gz GJWXXXODQMDTJP-RDPSFJRHSA-N 0 0 471.601 4.831 40 0 JJABRN O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408669791 570006664 /nfs/dbraw/zinc/00/66/64/570006664.db2.gz OSAQIZSIVFRDPD-UHFFFAOYSA-N 0 0 463.239 4.913 40 0 JJABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000408669897 570006754 /nfs/dbraw/zinc/00/67/54/570006754.db2.gz PLPLSTHVARSAFK-UHFFFAOYSA-N 0 0 475.383 4.919 40 0 JJABRN Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)ccc1Br ZINC000408669938 570006759 /nfs/dbraw/zinc/00/67/59/570006759.db2.gz WHMYYCKNDYCEOV-UHFFFAOYSA-N 0 0 488.165 4.965 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000408670245 570006943 /nfs/dbraw/zinc/00/69/43/570006943.db2.gz YXKOTKFMUFMSHA-UHFFFAOYSA-N 0 0 474.941 4.504 40 0 JJABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000408670351 570007039 /nfs/dbraw/zinc/00/70/39/570007039.db2.gz ZMSYBEJWTMQTFE-NSXLHWASSA-N 0 0 495.572 4.886 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 ZINC000408670618 570007174 /nfs/dbraw/zinc/00/71/74/570007174.db2.gz XJFSSTGSRKGSQA-JJEOQYAHSA-N 0 0 476.573 4.533 40 0 JJABRN Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408671017 570007468 /nfs/dbraw/zinc/00/74/68/570007468.db2.gz RRWSSFOBXFGNCR-UHFFFAOYSA-N 0 0 456.848 4.958 40 0 JJABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1 ZINC000225585093 570007668 /nfs/dbraw/zinc/00/76/68/570007668.db2.gz MVEPCROGHPENNM-DHIUTWEWSA-N 0 0 451.571 4.604 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c(C)n1C1CC1 ZINC000225586562 570007797 /nfs/dbraw/zinc/00/77/97/570007797.db2.gz GZRQGMPGSMCSGW-DQEYMECFSA-N 0 0 477.609 4.975 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225588376 570007973 /nfs/dbraw/zinc/00/79/73/570007973.db2.gz TXMXLRKYVQYTKF-MHZLTWQESA-N 0 0 474.601 4.549 40 0 JJABRN Cc1ccccc1-c1noc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)n1 ZINC000225590525 570008143 /nfs/dbraw/zinc/00/81/43/570008143.db2.gz BFUCVIRNFFUBPB-UHFFFAOYSA-N 0 0 456.949 4.708 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000225590202 570008147 /nfs/dbraw/zinc/00/81/47/570008147.db2.gz LSVJPSVPYIDOGK-MHZLTWQESA-N 0 0 458.602 4.883 40 0 JJABRN Cc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)n2)c1 ZINC000225590004 570008153 /nfs/dbraw/zinc/00/81/53/570008153.db2.gz AHBNMAACFDFRIB-UHFFFAOYSA-N 0 0 456.949 4.708 40 0 JJABRN CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(F)cc1 ZINC000225595750 570008475 /nfs/dbraw/zinc/00/84/75/570008475.db2.gz QTBGLNSSFBSNSC-XZOQPEGZSA-N 0 0 451.571 4.604 40 0 JJABRN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5cccc6ccccc65)C4)cc3)C(=O)[C@@H]2C1 ZINC000408673162 570008634 /nfs/dbraw/zinc/00/86/34/570008634.db2.gz WRCNOTORYHAJGY-AGSDZNCPSA-N 0 0 496.563 4.724 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(Br)c(C)c1 ZINC000225609865 570009158 /nfs/dbraw/zinc/00/91/58/570009158.db2.gz MKHYKFORHJFXRD-UHFFFAOYSA-N 0 0 495.439 4.512 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NCc1ccccc1 ZINC000408674554 570009201 /nfs/dbraw/zinc/00/92/01/570009201.db2.gz AAXFACOHDMBGMK-UHFFFAOYSA-N 0 0 465.358 4.733 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000225610533 570009306 /nfs/dbraw/zinc/00/93/06/570009306.db2.gz QZGIHINKCPFXCQ-PGRDOPGGSA-N 0 0 473.013 4.766 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000408674666 570009355 /nfs/dbraw/zinc/00/93/55/570009355.db2.gz BCGCFRCVPVYEPX-UHFFFAOYSA-N 0 0 478.614 4.656 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 ZINC000225610931 570009413 /nfs/dbraw/zinc/00/94/13/570009413.db2.gz JWFFCVYMGQYXEC-RUZDIDTESA-N 0 0 464.993 4.722 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408674796 570009570 /nfs/dbraw/zinc/00/95/70/570009570.db2.gz CQYLSQKUGGVYCS-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1F ZINC000225616219 570009912 /nfs/dbraw/zinc/00/99/12/570009912.db2.gz METGFVMUNZRMHF-GOTSBHOMSA-N 0 0 451.571 4.604 40 0 JJABRN 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ZINC000257319795 570144347 /nfs/dbraw/zinc/14/43/47/570144347.db2.gz VUBAHYWKQDBNGZ-FQEVSTJZSA-N 0 0 472.545 4.693 40 0 JJABRN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2cccc(-n3nc(C)cc3C)c2)c1 ZINC000257320567 570144587 /nfs/dbraw/zinc/14/45/87/570144587.db2.gz VXJVFBZXHNNJDF-DEOSSOPVSA-N 0 0 468.561 4.514 40 0 JJABRN CN(Cc1ccccc1)C(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000257322067 570145103 /nfs/dbraw/zinc/14/51/03/570145103.db2.gz WELUFHWWHKUPOS-UHFFFAOYSA-N 0 0 454.586 4.908 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000409142300 570145148 /nfs/dbraw/zinc/14/51/48/570145148.db2.gz XYFOCNLMUHXMLV-QHCPKHFHSA-N 0 0 495.649 4.781 40 0 JJABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257322663 570145196 /nfs/dbraw/zinc/14/51/96/570145196.db2.gz WGXROKCVFKTCEQ-HXUWFJFHSA-N 0 0 458.497 4.665 40 0 JJABRN CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1 ZINC000409142515 570145217 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40 0 JJABRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)c1 ZINC000409144797 570146332 /nfs/dbraw/zinc/14/63/32/570146332.db2.gz GSDSIIAFMIMOFL-ZDUSSCGKSA-N 0 0 478.405 4.652 40 0 JJABRN O=C(Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NC1CC1 ZINC000409144784 570146409 /nfs/dbraw/zinc/14/64/09/570146409.db2.gz GQLIBVHLIAAZIR-JAIQZWGSSA-N 0 0 451.935 4.814 40 0 JJABRN CN(c1ccccc1)c1ccc(C[C@@H]2CCCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)nn1 ZINC000257327241 570146699 /nfs/dbraw/zinc/14/66/99/570146699.db2.gz XAPIETONUIIKCZ-QHCPKHFHSA-N 0 0 466.589 4.584 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000409147148 570147491 /nfs/dbraw/zinc/14/74/91/570147491.db2.gz UZPATBLWNISSAF-INIZCTEOSA-N 0 0 472.014 4.790 40 0 JJABRN Cc1cccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000409147202 570147516 /nfs/dbraw/zinc/14/75/16/570147516.db2.gz VGLJHSCNENZYJH-UHFFFAOYSA-N 0 0 498.048 4.501 40 0 JJABRN 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DNELTPQMJGTLMF-HXUWFJFHSA-N 0 0 482.911 4.887 40 0 JJABRN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 ZINC000408556895 570197867 /nfs/dbraw/zinc/19/78/67/570197867.db2.gz FFKGBFFFTAMJKQ-UHFFFAOYSA-N 0 0 465.015 4.731 40 0 JJABRN COc1ccc(Br)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000409307353 570198257 /nfs/dbraw/zinc/19/82/57/570198257.db2.gz SLTPBDNRPPEAJT-MYNGYRLFSA-N 0 0 460.327 4.854 40 0 JJABRN COc1ccc(Br)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000409307346 570198320 /nfs/dbraw/zinc/19/83/20/570198320.db2.gz SLTPBDNRPPEAJT-BBITVKMKSA-N 0 0 460.327 4.854 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000408557647 570198336 /nfs/dbraw/zinc/19/83/36/570198336.db2.gz GYOKJGLKQXJUGP-UHFFFAOYSA-N 0 0 475.369 4.571 40 0 JJABRN CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557945 570198586 /nfs/dbraw/zinc/19/85/86/570198586.db2.gz OYHZIUBZVVYKLS-UHFFFAOYSA-N 0 0 450.988 4.992 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(CC)cccc3CC)CC2)cc1C ZINC000408558637 570199188 /nfs/dbraw/zinc/19/91/88/570199188.db2.gz SIEJASVXPHIFAU-UHFFFAOYSA-N 0 0 458.624 4.558 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)c1ccccc1 ZINC000408559804 570199982 /nfs/dbraw/zinc/19/99/82/570199982.db2.gz ZAOOFGKSVGTYOB-UHFFFAOYSA-N 0 0 475.364 4.901 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000409316170 570200183 /nfs/dbraw/zinc/20/01/83/570200183.db2.gz PIFDNGWJJSDFRJ-UHFFFAOYSA-N 0 0 460.555 4.678 40 0 JJABRN CCC[C@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409315991 570200192 /nfs/dbraw/zinc/20/01/92/570200192.db2.gz WUBHZLBMPPIYGK-AWEZNQCLSA-N 0 0 461.386 4.628 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000408560177 570200275 /nfs/dbraw/zinc/20/02/75/570200275.db2.gz CIRVMXJSOVFXQF-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000408560590 570200457 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ZINC000409331056 570204215 /nfs/dbraw/zinc/20/42/15/570204215.db2.gz CEINCIKKNYWFPV-DMKHAHDWSA-N 0 0 465.505 4.525 40 0 JJABRN COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2cc(C)cc(C)c2)cc2cc(Cl)ccc21 ZINC000408573564 570205216 /nfs/dbraw/zinc/20/52/16/570205216.db2.gz BUQWZSWSDHQUOC-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Cl)ccc21 ZINC000408573650 570205241 /nfs/dbraw/zinc/20/52/41/570205241.db2.gz BZOTYCGYTXNBEZ-UHFFFAOYSA-N 0 0 494.910 4.794 40 0 JJABRN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000408574107 570205335 /nfs/dbraw/zinc/20/53/35/570205335.db2.gz CEFZEMXQZUHLHV-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408576368 570205876 /nfs/dbraw/zinc/20/58/76/570205876.db2.gz SVHNYAXSIFPOPU-UHFFFAOYSA-N 0 0 491.363 4.519 40 0 JJABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)C2)cc1 ZINC000408579090 570206389 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570209460 /nfs/dbraw/zinc/20/94/60/570209460.db2.gz JXQYGUYOSJURQM-HRAATJIYSA-N 0 0 477.413 4.760 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000408593291 570209682 /nfs/dbraw/zinc/20/96/82/570209682.db2.gz PWRPFNIZBKLALS-UHFFFAOYSA-N 0 0 485.433 4.955 40 0 JJABRN C[C@@H]1C[C@@H]([C@@H](O)C(C)(C)O)O[C@H]2C[C@@]3(C)C(=C21)C[C@H](O)[C@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]13C ZINC000036413945 290713245 /nfs/dbraw/zinc/71/32/45/290713245.db2.gz YNKJSQIXVXWFBK-SLGDLKFASA-N 0 0 488.709 4.811 40 0 biogenic,in-vitro JJABRN C[C@@H]1C(=O)C[C@@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC(=O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@H]21 ZINC000004097808 290712140 /nfs/dbraw/zinc/71/21/40/290712140.db2.gz MBYLRWSUZLFUTO-PQNVQGKDSA-N 0 0 498.660 4.745 40 0 biogenic,in-vitro JJABRN COc1ccc(CNC(=O)[C@@H](C)[C@H]2CC[C@@]3(C)CC[C@H](NC(=O)C4CCCCC4)[C@@H](C)[C@@H]3[C@H]2O)cc1 ZINC000067898912 291546311 /nfs/dbraw/zinc/54/63/11/291546311.db2.gz 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Cc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000012880104 195167882 /nfs/dbraw/zinc/16/78/82/195167882.db2.gz XKMCMYPBABWECJ-SQJMNOBHSA-N 0 0 476.573 4.805 40 0 JJABRN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012880407 195168107 /nfs/dbraw/zinc/16/81/07/195168107.db2.gz HJEXUIUMAWTMIL-NNQKDBBJSA-N 0 0 481.589 4.629 40 0 JJABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4cc(OCC)cc(OCC)c4)cc3)nn12 ZINC000020609792 195183093 /nfs/dbraw/zinc/18/30/93/195183093.db2.gz YCILKBBVCJEWSF-UHFFFAOYSA-N 0 0 451.552 4.855 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc(C)c1Cl ZINC000020611646 195185661 /nfs/dbraw/zinc/18/56/61/195185661.db2.gz DQDKUPXKIZNHNY-UHFFFAOYSA-N 0 0 453.764 4.573 40 0 JJABRN Nc1nnc(SCc2cc(=O)[nH]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)s1 ZINC000020634924 195191781 /nfs/dbraw/zinc/19/17/81/195191781.db2.gz WDDGATMGXFDSAS-UHFFFAOYSA-N 0 0 494.993 4.503 40 0 JJABRN COC(=O)CSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccc(OC)cc3)n2n1 ZINC000020635900 195191800 /nfs/dbraw/zinc/19/18/00/195191800.db2.gz AOHYXWMBFBHVCP-UHFFFAOYSA-N 0 0 456.527 4.885 40 0 JJABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3OC)c2C)c1-c1ccc(Br)cc1 ZINC000020672884 195199076 /nfs/dbraw/zinc/19/90/76/195199076.db2.gz DALJHZQOJPOYCQ-UHFFFAOYSA-N 0 0 466.339 4.686 40 0 JJABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675090 195199910 /nfs/dbraw/zinc/19/99/10/195199910.db2.gz BEOLANTUADFSBK-UXHICEINSA-N 0 0 470.367 4.714 40 0 JJABRN O=C(CSc1nc2cc(Br)ccc2[nH]1)Nc1ccccc1I ZINC000020765281 195220715 /nfs/dbraw/zinc/22/07/15/195220715.db2.gz GOUQCHBTMVWPSB-UHFFFAOYSA-N 0 0 488.148 4.661 40 0 JJABRN O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21 ZINC000020765673 195221082 /nfs/dbraw/zinc/22/10/82/195221082.db2.gz ZJYONUODFPDITL-UHFFFAOYSA-N 0 0 471.376 4.843 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000020767075 195222459 /nfs/dbraw/zinc/22/24/59/195222459.db2.gz ODHSVNDFJPKCDJ-QGZVFWFLSA-N 0 0 454.979 4.973 40 0 JJABRN COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CC(=O)Nc4ccccc4)n4c5ccccc5nc43)c2c1 ZINC000021005888 195266207 /nfs/dbraw/zinc/26/62/07/195266207.db2.gz TXYDDKQPHULTQJ-RUZDIDTESA-N 0 0 479.540 4.685 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)cc1 ZINC000021123867 195279922 /nfs/dbraw/zinc/27/99/22/195279922.db2.gz OKUGRMJUQCNWTF-UHFFFAOYSA-N 0 0 471.601 4.791 40 0 JJABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000021123808 195279930 /nfs/dbraw/zinc/27/99/30/195279930.db2.gz ITQGHNOGJFFXAA-OVCLIPMQSA-N 0 0 459.977 4.883 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000021124445 195280474 /nfs/dbraw/zinc/28/04/74/195280474.db2.gz LCMFYNISWYMPJR-UHFFFAOYSA-N 0 0 483.490 4.729 40 0 JJABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589740 195351845 /nfs/dbraw/zinc/35/18/45/195351845.db2.gz WZAFVBXDLHSWHY-HHHXNRCGSA-N 0 0 478.600 4.791 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000057608267 195353339 /nfs/dbraw/zinc/35/33/39/195353339.db2.gz IINGJYOZCKYUJT-VWLOTQADSA-N 0 0 482.588 4.963 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3cccnc3)c(=O)[nH]c2cc1C ZINC000057608734 195353671 /nfs/dbraw/zinc/35/36/71/195353671.db2.gz RZFXYAXNURGIIR-VWLOTQADSA-N 0 0 497.603 4.666 40 0 JJABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640881 195354765 /nfs/dbraw/zinc/35/47/65/195354765.db2.gz HBBNMJVHRKIGCU-RUZDIDTESA-N 0 0 472.593 4.792 40 0 JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640931 195355063 /nfs/dbraw/zinc/35/50/63/195355063.db2.gz OXCNKYACXYYHAK-RUZDIDTESA-N 0 0 487.608 4.577 40 0 JJABRN Cc1ccc(CN(Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000057643038 195356576 /nfs/dbraw/zinc/35/65/76/195356576.db2.gz IAIQSIPPYASNAL-UHFFFAOYSA-N 0 0 482.563 4.521 40 0 JJABRN Cc1ccc(CN(Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000057643035 195356720 /nfs/dbraw/zinc/35/67/20/195356720.db2.gz OXFRTBURZCWVPV-UHFFFAOYSA-N 0 0 482.563 4.521 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000057688605 195357429 /nfs/dbraw/zinc/35/74/29/195357429.db2.gz VCCSLKBHCFULEU-UHFFFAOYSA-N 0 0 464.635 4.704 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000057688710 195357481 /nfs/dbraw/zinc/35/74/81/195357481.db2.gz RPWGVXNGYSMRBT-UHFFFAOYSA-N 0 0 477.417 4.886 40 0 JJABRN O=c1[nH]c2c(cc1CNc1ccc3c(c1)OCO3)c(-c1ccc(F)cc1)nn2-c1ccccc1 ZINC000057721013 195358330 /nfs/dbraw/zinc/35/83/30/195358330.db2.gz LDVDVBAHKWCBNU-UHFFFAOYSA-N 0 0 454.461 4.861 40 0 JJABRN COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000021576134 195315030 /nfs/dbraw/zinc/31/50/30/195315030.db2.gz XAKOELKQQDTEER-UHFFFAOYSA-N 0 0 469.541 4.965 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000021577430 195315662 /nfs/dbraw/zinc/31/56/62/195315662.db2.gz XAJGQLNVKOPBIH-UHFFFAOYSA-N 0 0 493.460 4.877 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=O)c3cc(I)ccc3Cl)nn12 ZINC000021595999 195318324 /nfs/dbraw/zinc/31/83/24/195318324.db2.gz IGOAMBPCQKWIBK-UHFFFAOYSA-N 0 0 495.733 4.672 40 0 JJABRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C/c4ccc(Cl)cc4)c(=O)n31)c1ccccc1CC2 ZINC000058856354 195385290 /nfs/dbraw/zinc/38/52/90/195385290.db2.gz NAGIBWUWUVFRQY-OCEWKHMESA-N 0 0 485.008 4.981 40 0 JJABRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)ccc1C ZINC000058865464 195385569 /nfs/dbraw/zinc/38/55/69/195385569.db2.gz QAMZSDSOCVUDCJ-CSJROMOCSA-N 0 0 464.590 4.636 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1 ZINC000059132947 195389621 /nfs/dbraw/zinc/38/96/21/195389621.db2.gz GGCHPDJKTQUNNW-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)c1C ZINC000059176225 195393388 /nfs/dbraw/zinc/39/33/88/195393388.db2.gz LYLXSVAJOQLVKE-UHFFFAOYSA-N 0 0 466.332 4.898 40 0 JJABRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2CC)c1 ZINC000059176459 195393402 /nfs/dbraw/zinc/39/34/02/195393402.db2.gz IOSFQPSTVMXIIR-UHFFFAOYSA-N 0 0 482.606 4.791 40 0 JJABRN COC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000059227818 195395428 /nfs/dbraw/zinc/39/54/28/195395428.db2.gz ACQSRUFKYJSWDO-DEOSSOPVSA-N 0 0 478.545 4.516 40 0 JJABRN O=C(CSCC(=O)Nc1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000059271736 195396708 /nfs/dbraw/zinc/39/67/08/195396708.db2.gz VNHSIWDNYQJRFM-UHFFFAOYSA-N 0 0 462.394 4.883 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000059372007 195398218 /nfs/dbraw/zinc/39/82/18/195398218.db2.gz BBLYUEKPZUUXDQ-GOSISDBHSA-N 0 0 481.456 4.977 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl ZINC000059427849 195401532 /nfs/dbraw/zinc/40/15/32/195401532.db2.gz XXNDFKGTULFZQI-FCKOQQNDSA-N 0 0 488.996 4.605 40 0 JJABRN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(I)c1OCc1ccccc1 ZINC000059484412 195405486 /nfs/dbraw/zinc/40/54/86/195405486.db2.gz KLMHKGOPDOEWAL-LICLKQGHSA-N 0 0 463.271 4.585 40 0 JJABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224844865 195466403 /nfs/dbraw/zinc/46/64/03/195466403.db2.gz IFADIBZFYSNJIR-HHHXNRCGSA-N 0 0 458.602 4.847 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224844975 195466425 /nfs/dbraw/zinc/46/64/25/195466425.db2.gz JFKNGVRKMMRFMS-HHHXNRCGSA-N 0 0 458.602 4.847 40 0 JJABRN Cc1cccc([C@H](NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)c1 ZINC000224864784 195470060 /nfs/dbraw/zinc/47/00/60/195470060.db2.gz WNRRORULYOPUJN-AREMUKBSSA-N 0 0 450.604 4.755 40 0 JJABRN Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224872643 195471952 /nfs/dbraw/zinc/47/19/52/195471952.db2.gz OCKDBIPBWPEKGY-UHFFFAOYSA-N 0 0 450.438 4.947 40 0 JJABRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1)c1c(C)[nH][nH]c1=O ZINC000096193507 129984428 /nfs/dbraw/zinc/98/44/28/129984428.db2.gz VMHOAQDVQBVXSX-UHFFFAOYSA-N 0 0 470.913 4.820 40 0 JJABRN Cc1cc(CSc2nnnn2-c2ccccc2)c(C)cc1CSc1nnnn1-c1ccccc1 ZINC000096305887 130055634 /nfs/dbraw/zinc/05/56/34/130055634.db2.gz ZLHJADIQIDLBRX-UHFFFAOYSA-N 0 0 486.630 4.839 40 0 JJABRN O=C(c1ccco1)C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 ZINC000103868389 130663058 /nfs/dbraw/zinc/66/30/58/130663058.db2.gz OOLDTUYQBMHEKS-YJMBLLCNSA-N 0 0 479.319 4.859 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1 ZINC000013501460 518744648 /nfs/dbraw/zinc/74/46/48/518744648.db2.gz AJDLNTYRRYVILC-XMMPIXPASA-N 0 0 485.028 4.881 40 0 JJABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2)cc1 ZINC000020494151 519022873 /nfs/dbraw/zinc/02/28/73/519022873.db2.gz YPUWDPGXJIGRNK-UHFFFAOYSA-N 0 0 482.577 4.759 40 0 JJABRN CC(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000044904324 519243340 /nfs/dbraw/zinc/24/33/40/519243340.db2.gz BSYYJQOMCOILID-LOSJGSFVSA-N 0 0 456.652 4.565 40 0 JJABRN CC(C)Cn1c2nnc(SCc3ccc(Cl)cc3)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256675 519490947 /nfs/dbraw/zinc/49/09/47/519490947.db2.gz ZXIUJKXQJJNLOT-UHFFFAOYSA-N 0 0 484.025 4.784 40 0 JJABRN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2OCc2ccccc2)C(C)C)cc1 ZINC000016575386 519730212 /nfs/dbraw/zinc/73/02/12/519730212.db2.gz JGMMQEOCFNXHCA-UHFFFAOYSA-N 0 0 452.576 4.823 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448775 519744293 /nfs/dbraw/zinc/74/42/93/519744293.db2.gz AWEAPFQNEVKPOG-OAHLLOKOSA-N 0 0 483.977 4.691 40 0 JJABRN CC(C)Oc1ccc(CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000020488744 519779037 /nfs/dbraw/zinc/77/90/37/519779037.db2.gz FPYWUJNKDHXZPH-UHFFFAOYSA-N 0 0 482.577 4.538 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020109148 519779460 /nfs/dbraw/zinc/77/94/60/519779460.db2.gz FFKWHXLSQRRQCB-GOSISDBHSA-N 0 0 499.460 4.639 40 0 JJABRN 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ZINC000013505959 520343507 /nfs/dbraw/zinc/34/35/07/520343507.db2.gz DAMFGTCVJNBFIF-SANMLTNESA-N 0 0 480.630 4.994 40 0 JJABRN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NN1C ZINC000016682618 520545124 /nfs/dbraw/zinc/54/51/24/520545124.db2.gz KVVVWCNKUTVDIH-HSZRJFAPSA-N 0 0 464.953 4.751 40 0 JJABRN CCCCNC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000012474422 520690315 /nfs/dbraw/zinc/69/03/15/520690315.db2.gz OEUPADGAZRULQM-UHFFFAOYSA-N 0 0 481.662 4.881 40 0 JJABRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O ZINC000036612800 520777305 /nfs/dbraw/zinc/77/73/05/520777305.db2.gz NDOXRDNPBQPGOM-KRWDZBQOSA-N 0 0 469.847 4.730 40 0 JJABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000006481132 520853447 /nfs/dbraw/zinc/85/34/47/520853447.db2.gz BDNYYZZXEVDQTE-UHFFFAOYSA-N 0 0 468.970 4.935 40 0 JJABRN CCOc1ccc(Br)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780448 520862663 /nfs/dbraw/zinc/86/26/63/520862663.db2.gz QPJFDFWDYFMUBF-UHFFFAOYSA-N 0 0 473.392 4.647 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 ZINC000005946257 520868028 /nfs/dbraw/zinc/86/80/28/520868028.db2.gz CMVZRKCQRLSVDQ-UHFFFAOYSA-N 0 0 473.554 4.793 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1Cl ZINC000016681566 520902229 /nfs/dbraw/zinc/90/22/29/520902229.db2.gz ARYMGGISODOTGA-UHFFFAOYSA-N 0 0 481.449 4.661 40 0 JJABRN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 ZINC000008622042 520915002 /nfs/dbraw/zinc/91/50/02/520915002.db2.gz UKXSTOSEIUFRIC-UHFFFAOYSA-N 0 0 465.410 4.543 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013669953 520984979 /nfs/dbraw/zinc/98/49/79/520984979.db2.gz LVHGOKOTIISEJB-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN CCOc1ccc(N(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013494334 521019637 /nfs/dbraw/zinc/01/96/37/521019637.db2.gz LCAXPTSCWOUUPT-HSZRJFAPSA-N 0 0 464.591 4.774 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020451948 521023533 /nfs/dbraw/zinc/02/35/33/521023533.db2.gz JPZCBWUKQOWRKT-DEOSSOPVSA-N 0 0 470.566 4.687 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1F ZINC000019820682 521092552 /nfs/dbraw/zinc/09/25/52/521092552.db2.gz JLBHZDYBELTTEQ-BJKOFHAPSA-N 0 0 457.505 4.533 40 0 JJABRN CCOc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000006089943 521123429 /nfs/dbraw/zinc/12/34/29/521123429.db2.gz XZFVOCBJURPOEW-QFIPXVFZSA-N 0 0 451.592 4.613 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537377 521134546 /nfs/dbraw/zinc/13/45/46/521134546.db2.gz RLQHVSQRHKZDHW-GOSISDBHSA-N 0 0 486.565 4.590 40 0 JJABRN CCCC[C@H](CC)COC(=O)[C@@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)OC[C@@H](CC)CCCC ZINC000008652323 521179466 /nfs/dbraw/zinc/17/94/66/521179466.db2.gz ZWIJZPXEJBHDLU-GIARXRPMSA-N 0 0 484.630 4.925 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1Cl ZINC000016692755 521184603 /nfs/dbraw/zinc/18/46/03/521184603.db2.gz QBPXNQOBUZXKAO-UHFFFAOYSA-N 0 0 474.966 4.790 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000016692614 521184917 /nfs/dbraw/zinc/18/49/17/521184917.db2.gz FGGWCZIUUMOJRP-UHFFFAOYSA-N 0 0 485.311 4.670 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000039986512 521188537 /nfs/dbraw/zinc/18/85/37/521188537.db2.gz CEWXBNFXNSBUCL-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccccc2)c2ccccc2)cc1 ZINC000044903445 521189241 /nfs/dbraw/zinc/18/92/41/521189241.db2.gz NZPACHIIUDOAPQ-DEOSSOPVSA-N 0 0 452.576 4.548 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044900167 521216505 /nfs/dbraw/zinc/21/65/05/521216505.db2.gz NEAFCMWZTWGVPT-MRXNPFEDSA-N 0 0 499.460 4.811 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000020455907 521217546 /nfs/dbraw/zinc/21/75/46/521217546.db2.gz XXBBCKCNILRBCC-GFCCVEGCSA-N 0 0 479.813 4.689 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020043269 521217558 /nfs/dbraw/zinc/21/75/58/521217558.db2.gz PJPNFEVMFFAURO-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020460206 521251869 /nfs/dbraw/zinc/25/18/69/521251869.db2.gz HLYUAWYPRTYWJY-IBGZPJMESA-N 0 0 470.566 4.606 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 ZINC000044899804 521255763 /nfs/dbraw/zinc/25/57/63/521255763.db2.gz BPSNTCXEKOHWOO-FQEVSTJZSA-N 0 0 466.603 4.851 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020458199 521255846 /nfs/dbraw/zinc/25/58/46/521255846.db2.gz DOMUTXIJUBUTHE-SFHVURJKSA-N 0 0 470.566 4.682 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000020455979 521256193 /nfs/dbraw/zinc/25/61/93/521256193.db2.gz 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CCOc1ccccc1CCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000013669661 521470837 /nfs/dbraw/zinc/47/08/37/521470837.db2.gz IUMXLQSBWKHXQO-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000013673961 521471586 /nfs/dbraw/zinc/47/15/86/521471586.db2.gz LHLUNOZJFZGZTQ-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(Cl)c2)cc1 ZINC000016687827 521480002 /nfs/dbraw/zinc/48/00/02/521480002.db2.gz PEFROKCBVWJTPF-UHFFFAOYSA-N 0 0 453.951 4.633 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccc(F)cc4)N3C2=O)cc1 ZINC000012410961 521484167 /nfs/dbraw/zinc/48/41/67/521484167.db2.gz HZFHHFICLVJFLE-ILBGXUMGSA-N 0 0 483.499 4.967 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(Cl)c1 ZINC000020487945 521490099 /nfs/dbraw/zinc/49/00/99/521490099.db2.gz CBFKGWOUMUHHOS-UHFFFAOYSA-N 0 0 487.405 4.663 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000022428932 521491239 /nfs/dbraw/zinc/49/12/39/521491239.db2.gz RAOMAQPEAFVPEC-UHFFFAOYSA-N 0 0 492.519 4.616 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000020488032 521501026 /nfs/dbraw/zinc/50/10/26/521501026.db2.gz XFMCLCIYZJUHJN-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000020481341 521514124 /nfs/dbraw/zinc/51/41/24/521514124.db2.gz BGMJNSRMUILHLU-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1 ZINC000022513919 521515593 /nfs/dbraw/zinc/51/55/93/521515593.db2.gz BLMXOVSFVQLQDB-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020492350 521543630 /nfs/dbraw/zinc/54/36/30/521543630.db2.gz FKNQNINMYUCUGF-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449588 521550082 /nfs/dbraw/zinc/55/00/82/521550082.db2.gz LZWAFPRVYGBCRY-MRXNPFEDSA-N 0 0 454.523 4.617 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020460075 521557264 /nfs/dbraw/zinc/55/72/64/521557264.db2.gz JBAUBSKWQZDVJG-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCCn1c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2c2ccc(Cl)cc2c1=O ZINC000033255055 521641170 /nfs/dbraw/zinc/64/11/70/521641170.db2.gz FGXWZXZBKXEXOU-UHFFFAOYSA-N 0 0 492.388 4.500 40 0 JJABRN CCCn1c2nnc(SCc3ccc(F)cc3)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000033256647 521641814 /nfs/dbraw/zinc/64/18/14/521641814.db2.gz SWAWBYWLBDNNKK-UHFFFAOYSA-N 0 0 493.608 4.948 40 0 JJABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2C[C@H]1C ZINC000020449265 521669308 /nfs/dbraw/zinc/66/93/08/521669308.db2.gz CUTMHMHUQCNVBL-MRXNPFEDSA-N 0 0 482.989 4.924 40 0 JJABRN CCN1c2ccc(Br)cc2[C@@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)C1=O ZINC000027517327 521730695 /nfs/dbraw/zinc/73/06/95/521730695.db2.gz VYDJWXRPHUDBAO-OAQYLSRUSA-N 0 0 488.385 4.900 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc(OC)cc1 ZINC000000868900 521751188 /nfs/dbraw/zinc/75/11/88/521751188.db2.gz RTVCFBGONYGBNF-UHFFFAOYSA-N 0 0 452.532 4.973 40 0 JJABRN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)n1C ZINC000012474650 521753766 /nfs/dbraw/zinc/75/37/66/521753766.db2.gz LGSXOSMBGPHSEI-UHFFFAOYSA-N 0 0 482.587 4.537 40 0 JJABRN CCSc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000020460256 521775630 /nfs/dbraw/zinc/77/56/30/521775630.db2.gz OBHZYRGVIJFXGH-UHFFFAOYSA-N 0 0 486.615 4.650 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013507014 521848050 /nfs/dbraw/zinc/84/80/50/521848050.db2.gz XLGIDSBQTFIZNT-SANMLTNESA-N 0 0 491.563 4.544 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430657 521850123 /nfs/dbraw/zinc/85/01/23/521850123.db2.gz VWLFLFKLRMZWOB-HXUWFJFHSA-N 0 0 466.603 4.639 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000012478572 522076535 /nfs/dbraw/zinc/07/65/35/522076535.db2.gz HFHFELKBZFTKNI-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020487544 522492181 /nfs/dbraw/zinc/49/21/81/522492181.db2.gz AFZBNKKJPRIYQQ-CLOONOSVSA-N 0 0 482.602 4.910 40 0 JJABRN CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188294 522502716 /nfs/dbraw/zinc/50/27/16/522502716.db2.gz VMBHOGILUCSRPB-UHFFFAOYSA-N 0 0 456.873 4.771 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000044884608 522533376 /nfs/dbraw/zinc/53/33/76/522533376.db2.gz DQTRVFWBYMHTFF-DEOSSOPVSA-N 0 0 470.566 4.682 40 0 JJABRN CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(OC)cc1 ZINC000022508753 522537784 /nfs/dbraw/zinc/53/77/84/522537784.db2.gz UNXWRIHEBNOVGX-DHLKQENFSA-N 0 0 450.560 4.944 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)N4CCc5ccccc54)n21)CC[C@@H](C)C3 ZINC000013499804 522539281 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/nfs/dbraw/zinc/72/38/09/554723809.db2.gz ZHVXLIMQUVQODJ-VIFPVBQESA-N 0 0 469.237 4.805 40 0 JJABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000008832582 554727140 /nfs/dbraw/zinc/72/71/40/554727140.db2.gz IAEUKKSPTZOOAT-UHFFFAOYSA-N 0 0 463.965 4.628 40 0 JJABRN CC(=O)N1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000008832568 554727172 /nfs/dbraw/zinc/72/71/72/554727172.db2.gz GSLTXPMSZDSBOF-CYBMUJFWSA-N 0 0 470.784 4.721 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3C)nn12 ZINC000008832728 554727977 /nfs/dbraw/zinc/72/79/77/554727977.db2.gz XTYPAYKFKVXDSI-UHFFFAOYSA-N 0 0 477.402 4.903 40 0 JJABRN O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(Cl)c(Cl)c1 ZINC000008832707 554728007 /nfs/dbraw/zinc/72/80/07/554728007.db2.gz VIPRJCCYCVNOKC-UHFFFAOYSA-N 0 0 484.277 4.526 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3)c2)c(F)c1F ZINC000008833258 554730393 /nfs/dbraw/zinc/73/03/93/554730393.db2.gz GAXZPDVCYWKPNF-UHFFFAOYSA-N 0 0 477.439 4.631 40 0 JJABRN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000008833235 554730427 /nfs/dbraw/zinc/73/04/27/554730427.db2.gz FWEWHBBUFQXVJJ-UHFFFAOYSA-N 0 0 487.375 4.914 40 0 JJABRN COc1cc(NC(=S)NC(=O)COc2ccccc2C)ccc1NC(=O)c1ccccc1Cl ZINC000008835603 554734760 /nfs/dbraw/zinc/73/47/60/554734760.db2.gz ZVKSWJQARJLXJF-UHFFFAOYSA-N 0 0 483.977 4.801 40 0 JJABRN CC[C@@H](C)c1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCOCCO2 ZINC000008892824 554781287 /nfs/dbraw/zinc/78/12/87/554781287.db2.gz YYRZRARLXMNDTC-LJQANCHMSA-N 0 0 458.551 4.665 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)c(C)c3)nn12 ZINC000008896206 554785703 /nfs/dbraw/zinc/78/57/03/554785703.db2.gz GCDRHAHIRCQTKU-UHFFFAOYSA-N 0 0 480.619 4.631 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)cc3)nn12 ZINC000008896221 554785852 /nfs/dbraw/zinc/78/58/52/554785852.db2.gz YVAKINKEZATDRP-WEVVVXLNSA-N 0 0 489.413 4.994 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc(Br)c3)c2C(N)=O)C1 ZINC000008896499 554786323 /nfs/dbraw/zinc/78/63/23/554786323.db2.gz HXNGOHNBWJRPDU-GFCCVEGCSA-N 0 0 494.480 4.887 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000008896538 554786389 /nfs/dbraw/zinc/78/63/89/554786389.db2.gz DRWPWLBRHOUTAA-HNNXBMFYSA-N 0 0 473.664 4.914 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000008896561 554786394 /nfs/dbraw/zinc/78/63/94/554786394.db2.gz RERFRQPXWMLOJC-LLVKDONJSA-N 0 0 480.055 4.787 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 ZINC000008898213 554788693 /nfs/dbraw/zinc/78/86/93/554788693.db2.gz DBRXDTCNTRVIPZ-UHFFFAOYSA-N 0 0 495.048 4.798 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(I)cc1F ZINC000008900613 554793085 /nfs/dbraw/zinc/79/30/85/554793085.db2.gz BJPICOCOWVSIHC-FARCUNLSSA-N 0 0 476.083 4.853 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccccc1Br ZINC000008902112 554795913 /nfs/dbraw/zinc/79/59/13/554795913.db2.gz SEWBVJVWMPKUJG-UHFFFAOYSA-N 0 0 488.769 4.910 40 0 JJABRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 ZINC000008902266 554796094 /nfs/dbraw/zinc/79/60/94/554796094.db2.gz RREHBGGSBYKJFF-UHFFFAOYSA-N 0 0 494.400 4.587 40 0 JJABRN O=C(Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2s1)c1ccco1 ZINC000008902840 554796842 /nfs/dbraw/zinc/79/68/42/554796842.db2.gz ZZYGRJTZYSDUJC-UHFFFAOYSA-N 0 0 456.936 4.922 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000008904361 554798657 /nfs/dbraw/zinc/79/86/57/554798657.db2.gz FRPXPUSYOLURDF-UHFFFAOYSA-N 0 0 475.845 4.592 40 0 JJABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915313 554808915 /nfs/dbraw/zinc/80/89/15/554808915.db2.gz OHNOHZYIEIIUNQ-GRDNDAEWSA-N 0 0 467.658 4.751 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000008915882 554809967 /nfs/dbraw/zinc/80/99/67/554809967.db2.gz DZYCNEOIDRKCLN-BDTNDASRSA-N 0 0 463.331 4.809 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008917841 554813516 /nfs/dbraw/zinc/81/35/16/554813516.db2.gz ORDVUOQIJHVOHF-BIAIKVISSA-N 0 0 460.659 4.705 40 0 JJABRN Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@@H](C[C@@H]5c5ccccc5)[C@@H]4C3=O)c2)cc1 ZINC000008923901 554821078 /nfs/dbraw/zinc/82/10/78/554821078.db2.gz JAJYYUIGNSXBHF-KYNFNZIBSA-N 0 0 493.559 4.964 40 0 JJABRN Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@@H](C[C@@H]5c5ccccc5)[C@@H]4C3=O)cc2)cc1 ZINC000008923942 554821137 /nfs/dbraw/zinc/82/11/37/554821137.db2.gz XNBQWOMCCDWEHP-KYNFNZIBSA-N 0 0 493.559 4.964 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3C2=O)cc1)c1cccs1 ZINC000008927871 554825489 /nfs/dbraw/zinc/82/54/89/554825489.db2.gz MJOWBVKOBKJGCX-CULVCEOYSA-N 0 0 485.561 4.717 40 0 JJABRN Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000008928197 554825694 /nfs/dbraw/zinc/82/56/94/554825694.db2.gz RPULLRZQKRIPEW-LJQANCHMSA-N 0 0 461.996 4.564 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCC2)cc1 ZINC000008995003 554855193 /nfs/dbraw/zinc/85/51/93/554855193.db2.gz XWDTYWYEXFRKPQ-MHZLTWQESA-N 0 0 476.621 4.680 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)s2)cc1 ZINC000009062308 554879789 /nfs/dbraw/zinc/87/97/89/554879789.db2.gz DDJSFMVSFZRLSW-UHFFFAOYSA-N 0 0 471.753 4.775 40 0 JJABRN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C(C)c5cc(C)ccc5N4[C@H](C(=O)C(C)(C)C)[C@H]3C2=O)cc1 ZINC000009108649 554897523 /nfs/dbraw/zinc/89/75/23/554897523.db2.gz VHMHDMNGCKSVOH-NGSHPTGOSA-N 0 0 470.569 4.593 40 0 JJABRN O=C(C1=C2C(O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N12)c1ccc(Cl)cc1 ZINC000009111088 554898539 /nfs/dbraw/zinc/89/85/39/554898539.db2.gz PRODYVQLRZNYCN-KIHHCIJBSA-N 0 0 472.903 4.752 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000009191501 554963660 /nfs/dbraw/zinc/96/36/60/554963660.db2.gz FTVXESHJNBLTRS-GVAUOCQISA-N 0 0 458.514 4.535 40 0 JJABRN COC(=O)c1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009199995 554971514 /nfs/dbraw/zinc/97/15/14/554971514.db2.gz NKXZVKHSYYSMOV-UHFFFAOYSA-N 0 0 459.527 4.767 40 0 JJABRN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000009210264 554979771 /nfs/dbraw/zinc/97/97/71/554979771.db2.gz WQGRVIWHZBNCBU-AIGMYPEUSA-N 0 0 452.595 4.627 40 0 JJABRN CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000009232142 555004277 /nfs/dbraw/zinc/00/42/77/555004277.db2.gz ABGPSBYLSZKBSP-UHFFFAOYSA-N 0 0 493.219 4.539 40 0 JJABRN CC[C@H](C)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009232345 555004554 /nfs/dbraw/zinc/00/45/54/555004554.db2.gz IGAXZLKMGYDTBM-YJBOKZPZSA-N 0 0 458.352 4.742 40 0 JJABRN O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000009266394 555042880 /nfs/dbraw/zinc/04/28/80/555042880.db2.gz MEOYCUVGZUTVGI-AQNXPRMDSA-N 0 0 475.376 4.666 40 0 JJABRN Cc1cccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3cc(Br)ccc32)c1 ZINC000009287184 555060665 /nfs/dbraw/zinc/06/06/65/555060665.db2.gz AGEUIAYBUATSMK-UHFFFAOYSA-N 0 0 455.739 4.925 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Br)cc3)C2=O)cc1 ZINC000009290703 555065163 /nfs/dbraw/zinc/06/51/63/555065163.db2.gz OXTBQFFIMWQXLJ-ZLNRFVROSA-N 0 0 493.357 4.899 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3c(F)cccc3Cl)C2=O)c1 ZINC000009345835 555112188 /nfs/dbraw/zinc/11/21/88/555112188.db2.gz GTHLNEAZSXTCLN-VSKRKVRLSA-N 0 0 452.869 4.539 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccccc3F)cc2c1 ZINC000009636300 555343726 /nfs/dbraw/zinc/34/37/26/555343726.db2.gz BHIMQFWJPRZGEE-UHFFFAOYSA-N 0 0 458.555 4.590 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)cc2)[C@@H](C(=O)NC2CCCC2)c2cccs2)no1 ZINC000013150880 555357164 /nfs/dbraw/zinc/35/71/64/555357164.db2.gz MBARRFIRSRKYQC-RUZDIDTESA-N 0 0 494.617 4.905 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)no1 ZINC000013151064 555358183 /nfs/dbraw/zinc/35/81/83/555358183.db2.gz VKPOONPDRNABAB-XMMPIXPASA-N 0 0 498.605 4.575 40 0 JJABRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000009570940 555368606 /nfs/dbraw/zinc/36/86/06/555368606.db2.gz GJGVVGZDBUPUPZ-UHFFFAOYSA-N 0 0 463.006 4.963 40 0 JJABRN CCCCn1c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)n2c2ccccc2c1=O ZINC000009671075 555389241 /nfs/dbraw/zinc/38/92/41/555389241.db2.gz BBQOAKRYEYDHMZ-CQSZACIVSA-N 0 0 485.407 4.970 40 0 JJABRN COc1ccccc1NC(=S)N1[C@@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000013471337 555402406 /nfs/dbraw/zinc/40/24/06/555402406.db2.gz PODYNAKGCGXXAH-BKQVXRIPSA-N 0 0 468.667 4.655 40 0 JJABRN Cc1cccc(CCN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000013494321 555404146 /nfs/dbraw/zinc/40/41/46/555404146.db2.gz BLZUWWPMMWNKIM-DEOSSOPVSA-N 0 0 462.619 4.722 40 0 JJABRN Cc1cccc(CN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1C ZINC000013494340 555404198 /nfs/dbraw/zinc/40/41/98/555404198.db2.gz USODWEBSUYEWEB-XMMPIXPASA-N 0 0 462.619 4.988 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1cnsn1 ZINC000013494344 555404202 /nfs/dbraw/zinc/40/42/02/555404202.db2.gz HAXOAULHCGXJTM-HSZRJFAPSA-N 0 0 466.582 4.552 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494458 555404551 /nfs/dbraw/zinc/40/45/51/555404551.db2.gz BDYPFJZFWYTSDQ-DEOSSOPVSA-N 0 0 474.609 4.740 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494454 555404592 /nfs/dbraw/zinc/40/45/92/555404592.db2.gz JXXRIIQGDCZEAD-XMMPIXPASA-N 0 0 492.599 4.961 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495155 555407140 /nfs/dbraw/zinc/40/71/40/555407140.db2.gz HWZLRLLJTSAULL-AREMUKBSSA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495577 555408056 /nfs/dbraw/zinc/40/80/56/555408056.db2.gz XJXGVEJKDBEPFP-XMMPIXPASA-N 0 0 468.561 4.618 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000013495523 555408237 /nfs/dbraw/zinc/40/82/37/555408237.db2.gz GRBUMOPYVQVOBD-NOZRDPDXSA-N 0 0 494.640 4.551 40 0 JJABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495639 555408518 /nfs/dbraw/zinc/40/85/18/555408518.db2.gz LZSGDDFSXZPXGW-HSZRJFAPSA-N 0 0 460.582 4.993 40 0 JJABRN COc1cc(CN(Cc2ccccc2)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496046 555410879 /nfs/dbraw/zinc/41/08/79/555410879.db2.gz QNTTWSQZKFGSJF-QHCPKHFHSA-N 0 0 467.614 4.853 40 0 JJABRN Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496305 555411434 /nfs/dbraw/zinc/41/14/34/555411434.db2.gz BRLCGPBWYJXYFL-HSZRJFAPSA-N 0 0 477.613 4.839 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000013497817 555415406 /nfs/dbraw/zinc/41/54/06/555415406.db2.gz WQNYAFSIPJQBLG-XMMPIXPASA-N 0 0 458.624 4.737 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498509 555421227 /nfs/dbraw/zinc/42/12/27/555421227.db2.gz YUZFHXSGPSDFFF-DEOSSOPVSA-N 0 0 460.582 4.931 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498702 555423803 /nfs/dbraw/zinc/42/38/03/555423803.db2.gz HGMMRJNUPWPQRZ-DEOSSOPVSA-N 0 0 492.599 4.817 40 0 JJABRN Cc1cc2cc(CN(Cc3cccnc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498839 555425109 /nfs/dbraw/zinc/42/51/09/555425109.db2.gz SUCJFJUXHGGEQM-DEOSSOPVSA-N 0 0 473.625 4.681 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499169 555428922 /nfs/dbraw/zinc/42/89/22/555428922.db2.gz KJGVYRZQNLJRTO-QHCPKHFHSA-N 0 0 462.598 4.879 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000013499231 555429683 /nfs/dbraw/zinc/42/96/83/555429683.db2.gz RQKYCYPEJVVOII-UHFFFAOYSA-N 0 0 482.989 4.890 40 0 JJABRN COc1ccc(OC)c(C(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@@H](C)CC5)c1 ZINC000013499706 555434443 /nfs/dbraw/zinc/43/44/43/555434443.db2.gz BSXLEZUKGDDXND-LBPRGKRZSA-N 0 0 468.604 4.764 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(C(C)=O)c4)n21)CC[C@H](C)C3 ZINC000013499763 555434711 /nfs/dbraw/zinc/43/47/11/555434711.db2.gz QGPIKHJWCMWXLG-ZDUSSCGKSA-N 0 0 479.631 4.960 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(OC)c4)n21)CC[C@@H](C)C3 ZINC000013499782 555434766 /nfs/dbraw/zinc/43/47/66/555434766.db2.gz QJWCJOGGGCDELT-CYBMUJFWSA-N 0 0 467.620 4.766 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n21)CC[C@@H](C)C3 ZINC000013499857 555434998 /nfs/dbraw/zinc/43/49/98/555434998.db2.gz ZAPFASLABDRBBM-CYBMUJFWSA-N 0 0 479.631 4.960 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(C)c(C)s4)n21)CC[C@H](C)C3 ZINC000013499824 555435005 /nfs/dbraw/zinc/43/50/05/555435005.db2.gz CRCLUOSZFGOJDN-JTQLQIEISA-N 0 0 472.665 4.830 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(OC)cc(OC)c4)n21)CCCC3 ZINC000013499918 555435424 /nfs/dbraw/zinc/43/54/24/555435424.db2.gz CCJOIJAOASLUHC-UHFFFAOYSA-N 0 0 483.619 4.528 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500425 555440149 /nfs/dbraw/zinc/44/01/49/555440149.db2.gz OZZUMOGXFHKJDN-SANMLTNESA-N 0 0 482.588 4.864 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500457 555440562 /nfs/dbraw/zinc/44/05/62/555440562.db2.gz BCZLDYRFXPDUGH-VWLOTQADSA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500897 555445201 /nfs/dbraw/zinc/44/52/01/555445201.db2.gz PYCJKKTXNQRBOS-ZCYQVOJMSA-N 0 0 494.640 4.551 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501076 555447323 /nfs/dbraw/zinc/44/73/23/555447323.db2.gz HCHAHGBKNHVZHU-HSZRJFAPSA-N 0 0 460.582 4.669 40 0 JJABRN O=C(CCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)C1CCCC1)Nc1ccccn1 ZINC000013501329 555449293 /nfs/dbraw/zinc/44/92/93/555449293.db2.gz KZURGHGFGZCKJE-MHZLTWQESA-N 0 0 494.611 4.901 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501340 555449316 /nfs/dbraw/zinc/44/93/16/555449316.db2.gz HGBQFAHENQOTIV-SANMLTNESA-N 0 0 476.552 4.547 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501499 555450206 /nfs/dbraw/zinc/45/02/06/555450206.db2.gz DIIVCOOXRLTVMI-LJAQVGFWSA-N 0 0 498.627 4.938 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1C ZINC000013501758 555451229 /nfs/dbraw/zinc/45/12/29/555451229.db2.gz JLFZZUVMTCENOW-DEOSSOPVSA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccc(F)cc2)cc1 ZINC000013501838 555451749 /nfs/dbraw/zinc/45/17/49/555451749.db2.gz CVYARRRPHIPSSI-QHCPKHFHSA-N 0 0 496.608 4.999 40 0 JJABRN CCOC(=O)CCC(=O)Nc1ccc2nc(C)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1 ZINC000013502042 555452612 /nfs/dbraw/zinc/45/26/12/555452612.db2.gz IAILYODRABCFMI-UHFFFAOYSA-N 0 0 469.541 4.702 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)c1 ZINC000013502141 555453042 /nfs/dbraw/zinc/45/30/42/555453042.db2.gz FIZPWXAIFMLBJS-RUZDIDTESA-N 0 0 489.547 4.844 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccccn2)c1 ZINC000013502238 555453773 /nfs/dbraw/zinc/45/37/73/555453773.db2.gz BQVBRSYUQFAVQK-MHZLTWQESA-N 0 0 471.601 4.965 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccccn2)cc1 ZINC000013502325 555454367 /nfs/dbraw/zinc/45/43/67/555454367.db2.gz PADGUNVWISUOPO-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COC(=O)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)cc1 ZINC000013502577 555455838 /nfs/dbraw/zinc/45/58/38/555455838.db2.gz OYZLXNLHKBLYGN-UHFFFAOYSA-N 0 0 493.614 4.613 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC(C)(C)C)Cc3ccccc3)cc12 ZINC000013502622 555456112 /nfs/dbraw/zinc/45/61/12/555456112.db2.gz HNFFHRPXCMJNCG-UHFFFAOYSA-N 0 0 460.603 4.953 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)[C@@H](C(=O)NC2CCCC2)c2cccs2)n1 ZINC000013505622 555467346 /nfs/dbraw/zinc/46/73/46/555467346.db2.gz YYZXVMMFCXVVGB-JOCHJYFZSA-N 0 0 490.695 4.907 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505708 555467735 /nfs/dbraw/zinc/46/77/35/555467735.db2.gz PNWFOUKUPRABTM-MHZLTWQESA-N 0 0 488.588 4.531 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)no1 ZINC000013505729 555467745 /nfs/dbraw/zinc/46/77/45/555467745.db2.gz WVSAXLUKPATAAE-HHHXNRCGSA-N 0 0 488.588 4.843 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1ccccc1OCC ZINC000013505771 555468087 /nfs/dbraw/zinc/46/80/87/555468087.db2.gz CNEVSYIUEBNIPV-AREMUKBSSA-N 0 0 498.624 4.529 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000013506441 555471614 /nfs/dbraw/zinc/47/16/14/555471614.db2.gz LBIWGFPTFCJBRC-VWLOTQADSA-N 0 0 493.629 4.857 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1F ZINC000013506445 555471638 /nfs/dbraw/zinc/47/16/38/555471638.db2.gz HWAKTXJLURQJMV-DEOSSOPVSA-N 0 0 497.592 4.742 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1C ZINC000013506890 555474339 /nfs/dbraw/zinc/47/43/39/555474339.db2.gz ZQNRORNMPGHBRH-MHZLTWQESA-N 0 0 487.600 4.768 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1C ZINC000013507001 555474811 /nfs/dbraw/zinc/47/48/11/555474811.db2.gz VPSXFDVVQJMULP-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013507965 555477449 /nfs/dbraw/zinc/47/74/49/555477449.db2.gz KLUCQCCZOPPLMX-SANMLTNESA-N 0 0 491.563 4.680 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000013511630 555483293 /nfs/dbraw/zinc/48/32/93/555483293.db2.gz YCMILKZBBLKCRP-DEOSSOPVSA-N 0 0 479.053 4.851 40 0 JJABRN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1 ZINC000013561675 555494835 /nfs/dbraw/zinc/49/48/35/555494835.db2.gz HWKJZSDIXZFYRV-UHFFFAOYSA-N 0 0 483.601 4.716 40 0 JJABRN C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccccc2Cl)C1 ZINC000013562521 555497128 /nfs/dbraw/zinc/49/71/28/555497128.db2.gz AGDBLRHHBLGWOY-CALCHBBNSA-N 0 0 471.026 4.925 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000013563911 555498696 /nfs/dbraw/zinc/49/86/96/555498696.db2.gz UDWPIJGYQXEHJM-QHCPKHFHSA-N 0 0 454.542 4.638 40 0 JJABRN COc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2Cl)cc(OC)c1OC ZINC000013564775 555499808 /nfs/dbraw/zinc/49/98/08/555499808.db2.gz KUUXIKZZOGEJHG-UHFFFAOYSA-N 0 0 482.920 4.544 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000019855605 555512788 /nfs/dbraw/zinc/51/27/88/555512788.db2.gz WSFRNVRFCAVBKF-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(Br)cc2)cc1 ZINC000019856542 555516270 /nfs/dbraw/zinc/51/62/70/555516270.db2.gz FBKWRGYOPJXLTO-UHFFFAOYSA-N 0 0 495.345 4.870 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856975 555518257 /nfs/dbraw/zinc/51/82/57/555518257.db2.gz MABWYEKLUAKWMG-LJQANCHMSA-N 0 0 479.602 4.601 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581839 555519796 /nfs/dbraw/zinc/51/97/96/555519796.db2.gz JOTDMQYQZLEGBU-UHFFFAOYSA-N 0 0 479.385 4.775 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C ZINC000009810267 555520214 /nfs/dbraw/zinc/52/02/14/555520214.db2.gz NACOGICQHYFIDD-UHFFFAOYSA-N 0 0 451.777 4.937 40 0 JJABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013582843 555520377 /nfs/dbraw/zinc/52/03/77/555520377.db2.gz KVVBYYXTADNERO-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1ccc(CN(c2ccc3sc(C(=O)NCc4cccnc4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584139 555521343 /nfs/dbraw/zinc/52/13/43/555521343.db2.gz JSTDRJSRTHMISQ-UHFFFAOYSA-N 0 0 465.600 4.501 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584744 555522657 /nfs/dbraw/zinc/52/26/57/555522657.db2.gz UWQLAPQNWGMKTN-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(N(CC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000013585297 555523442 /nfs/dbraw/zinc/52/34/42/555523442.db2.gz BZYZVZQXIAKZBL-UHFFFAOYSA-N 0 0 452.576 4.790 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013590649 555525138 /nfs/dbraw/zinc/52/51/38/555525138.db2.gz LXDMTASISHAODS-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cccc(Cl)c2)cc1 ZINC000013613019 555535071 /nfs/dbraw/zinc/53/50/71/555535071.db2.gz HRTGOMMLQUBJHJ-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000013631866 555541593 /nfs/dbraw/zinc/54/15/93/555541593.db2.gz ZXODTMCXRLLAQG-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000013633404 555543521 /nfs/dbraw/zinc/54/35/21/555543521.db2.gz KFJXMZXAAWEKTN-UHFFFAOYSA-N 0 0 479.602 4.862 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019931577 555548843 /nfs/dbraw/zinc/54/88/43/555548843.db2.gz XXEROYAYPYJWFF-FQEVSTJZSA-N 0 0 482.602 4.557 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000019932629 555549980 /nfs/dbraw/zinc/54/99/80/555549980.db2.gz UTLSPQWVEVJLTG-DEOSSOPVSA-N 0 0 484.593 4.933 40 0 JJABRN Cc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000013646124 555550503 /nfs/dbraw/zinc/55/05/03/555550503.db2.gz NYSCDQYQMMDYQS-NRFANRHFSA-N 0 0 466.603 4.691 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000019934218 555551318 /nfs/dbraw/zinc/55/13/18/555551318.db2.gz NZCOJDOJXUOMAI-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1C ZINC000013648166 555552597 /nfs/dbraw/zinc/55/25/97/555552597.db2.gz PHGBMLSXROHFSH-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935641 555552950 /nfs/dbraw/zinc/55/29/50/555552950.db2.gz QXRBHIOOHPTADH-UHFFFAOYSA-N 0 0 450.841 4.535 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2c(C)cccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935895 555553155 /nfs/dbraw/zinc/55/31/55/555553155.db2.gz ZAOWIXBJORAMHE-QHCPKHFHSA-N 0 0 452.576 4.703 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000013649815 555554066 /nfs/dbraw/zinc/55/40/66/555554066.db2.gz IKGUYCNFHFWFEJ-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN COc1ccc([C@H](CC(=O)NC2CCCCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936266 555554370 /nfs/dbraw/zinc/55/43/70/555554370.db2.gz WXLGZXUQXWMZFV-DEOSSOPVSA-N 0 0 458.624 4.676 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937924 555554895 /nfs/dbraw/zinc/55/48/95/555554895.db2.gz UFWINMJCPUQFFA-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000019938007 555555109 /nfs/dbraw/zinc/55/51/09/555555109.db2.gz HAHCOJUBUAOTCZ-LJQANCHMSA-N 0 0 484.643 4.798 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938080 555555477 /nfs/dbraw/zinc/55/54/77/555555477.db2.gz DJPIOLXXSPJSDI-UHFFFAOYSA-N 0 0 456.539 4.675 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938077 555555528 /nfs/dbraw/zinc/55/55/28/555555528.db2.gz KMBZNAVMZJVSOW-UHFFFAOYSA-N 0 0 478.492 4.645 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCCc2ccccc2)cc1 ZINC000013668932 555558364 /nfs/dbraw/zinc/55/83/64/555558364.db2.gz AFBZNQMTPXRWOJ-UHFFFAOYSA-N 0 0 456.995 4.669 40 0 JJABRN CCc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013668920 555558401 /nfs/dbraw/zinc/55/84/01/555558401.db2.gz RFJDYZDNHZHBQC-UHFFFAOYSA-N 0 0 450.604 4.502 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2Cl)cc1 ZINC000013669088 555558740 /nfs/dbraw/zinc/55/87/40/555558740.db2.gz PHOSDNAPCQVLLD-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Cl)c1 ZINC000013671541 555563147 /nfs/dbraw/zinc/56/31/47/555563147.db2.gz OZLVJDWMTVCLGU-UHFFFAOYSA-N 0 0 478.058 4.609 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000019946853 555563465 /nfs/dbraw/zinc/56/34/65/555563465.db2.gz AKPYQADMFSYXKQ-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019946606 555563499 /nfs/dbraw/zinc/56/34/99/555563499.db2.gz VLYGSBCMCDTLDY-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 ZINC000019947430 555563778 /nfs/dbraw/zinc/56/37/78/555563778.db2.gz JORNCTISCTXUCF-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000013672770 555564220 /nfs/dbraw/zinc/56/42/20/555564220.db2.gz NVCUZMITLLXRQX-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013674498 555565774 /nfs/dbraw/zinc/56/57/74/555565774.db2.gz WWTZNXDGJNOXGC-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)cc1C ZINC000013676373 555567305 /nfs/dbraw/zinc/56/73/05/555567305.db2.gz YWDKZMZFNMOFTM-UHFFFAOYSA-N 0 0 478.058 4.754 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000013676493 555567324 /nfs/dbraw/zinc/56/73/24/555567324.db2.gz FRTZLSGZNMYCFQ-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000013676777 555567462 /nfs/dbraw/zinc/56/74/62/555567462.db2.gz LYQVMGLSZGYSIZ-UHFFFAOYSA-N 0 0 477.586 4.674 40 0 JJABRN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013677829 555568931 /nfs/dbraw/zinc/56/89/31/555568931.db2.gz SHYXNCKJDXIYNT-UHFFFAOYSA-N 0 0 485.477 4.620 40 0 JJABRN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013678417 555569744 /nfs/dbraw/zinc/56/97/44/555569744.db2.gz CTIPIFLRFODPPK-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000013678589 555569982 /nfs/dbraw/zinc/56/99/82/555569982.db2.gz DEJNJHOBGYPALD-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000013678848 555570191 /nfs/dbraw/zinc/57/01/91/555570191.db2.gz IZZMGNYLKFEZNG-UHFFFAOYSA-N 0 0 485.433 4.961 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678921 555570239 /nfs/dbraw/zinc/57/02/39/555570239.db2.gz LZJXBXNPIZUNGB-NRFANRHFSA-N 0 0 493.368 4.597 40 0 JJABRN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013679206 555570719 /nfs/dbraw/zinc/57/07/19/555570719.db2.gz SPDLENCZNRDXHC-QGZVFWFLSA-N 0 0 485.433 4.961 40 0 JJABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000013679408 555571021 /nfs/dbraw/zinc/57/10/21/555571021.db2.gz ZUJQZLAYRLOCGU-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000013680283 555572647 /nfs/dbraw/zinc/57/26/47/555572647.db2.gz YHQLRDIUNIDIEV-QGZVFWFLSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000013680202 555572668 /nfs/dbraw/zinc/57/26/68/555572668.db2.gz BNZJFVYJLLBYEZ-ZDUSSCGKSA-N 0 0 491.824 4.836 40 0 JJABRN CCOC(=O)c1c(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013681123 555573986 /nfs/dbraw/zinc/57/39/86/555573986.db2.gz LRGKZNNOZCDRGJ-UHFFFAOYSA-N 0 0 492.663 4.605 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(OC)c1OC ZINC000009973439 555574067 /nfs/dbraw/zinc/57/40/67/555574067.db2.gz TWLGBUQYONWNMB-WBWKYDSYSA-N 0 0 460.530 4.855 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O ZINC000009973628 555574287 /nfs/dbraw/zinc/57/42/87/555574287.db2.gz HPIWJPSTBXNQMI-AFPDSDBBSA-N 0 0 487.600 4.741 40 0 JJABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000019972849 555574733 /nfs/dbraw/zinc/57/47/33/555574733.db2.gz ZDUYVPZOBYISHX-RUZDIDTESA-N 0 0 482.588 4.963 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1C ZINC000009973777 555575260 /nfs/dbraw/zinc/57/52/60/555575260.db2.gz BPIUARVXOUWLMG-VWLOTQADSA-N 0 0 492.641 4.633 40 0 JJABRN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000013682160 555575544 /nfs/dbraw/zinc/57/55/44/555575544.db2.gz PTMBWKLQOBTSDD-UHFFFAOYSA-N 0 0 485.433 4.961 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Br ZINC000013683638 555577580 /nfs/dbraw/zinc/57/75/80/555577580.db2.gz JHCLYIZQGYSATB-UHFFFAOYSA-N 0 0 467.363 4.748 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000020004488 555578097 /nfs/dbraw/zinc/57/80/97/555578097.db2.gz SNJMKJXRVLUJIW-JOCHJYFZSA-N 0 0 456.995 4.794 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)c(C)c1 ZINC000020004473 555578106 /nfs/dbraw/zinc/57/81/06/555578106.db2.gz VQCSMAMBYXMGOR-QFIPXVFZSA-N 0 0 456.995 4.794 40 0 JJABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013684339 555578265 /nfs/dbraw/zinc/57/82/65/555578265.db2.gz BQPOLEUKKOEHKJ-UHFFFAOYSA-N 0 0 463.715 4.643 40 0 JJABRN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000013684682 555578617 /nfs/dbraw/zinc/57/86/17/555578617.db2.gz WTWVDBNLIBQWBX-UHFFFAOYSA-N 0 0 462.546 4.717 40 0 JJABRN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000020004694 555578728 /nfs/dbraw/zinc/57/87/28/555578728.db2.gz WLRAPXOPJBIECJ-HSZRJFAPSA-N 0 0 468.644 4.862 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686244 555579776 /nfs/dbraw/zinc/57/97/76/555579776.db2.gz UMLRVAOSRHKXIP-JOCHJYFZSA-N 0 0 492.041 4.586 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)C2)cc1Cl ZINC000009974654 555579844 /nfs/dbraw/zinc/57/98/44/555579844.db2.gz LTPCFAQLDYYUFJ-QGZVFWFLSA-N 0 0 458.967 4.541 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1Cl ZINC000020006196 555580695 /nfs/dbraw/zinc/58/06/95/555580695.db2.gz CTYFRBVAULMMSG-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1Cl ZINC000020006190 555580705 /nfs/dbraw/zinc/58/07/05/555580705.db2.gz MUKZITKCHQJGHW-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009549 555584848 /nfs/dbraw/zinc/58/48/48/555584848.db2.gz XMLROMZRLBKZLQ-OAQYLSRUSA-N 0 0 487.021 4.748 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000020009637 555585238 /nfs/dbraw/zinc/58/52/38/555585238.db2.gz VFZFOXFDQSOMBU-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1SC ZINC000020009900 555585985 /nfs/dbraw/zinc/58/59/85/555585985.db2.gz RCBOTRFJYSJKBU-IBGZPJMESA-N 0 0 491.034 4.599 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020010588 555586462 /nfs/dbraw/zinc/58/64/62/555586462.db2.gz ZFHPCXXHWQGLLF-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000020011031 555586992 /nfs/dbraw/zinc/58/69/92/555586992.db2.gz PNOHKTBRWKDZEX-MRXNPFEDSA-N 0 0 497.430 4.789 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C2CCCCC2)cc1OC ZINC000020011340 555587324 /nfs/dbraw/zinc/58/73/24/555587324.db2.gz DFBZYSZPQRECNX-KRWDZBQOSA-N 0 0 495.041 4.558 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011726 555587887 /nfs/dbraw/zinc/58/78/87/555587887.db2.gz PDKUIUZGMBDSAS-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000020011922 555588101 /nfs/dbraw/zinc/58/81/01/555588101.db2.gz DDHKLWSPIRBJCS-UHFFFAOYSA-N 0 0 481.376 4.640 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012092 555588418 /nfs/dbraw/zinc/58/84/18/555588418.db2.gz XZHFCIOXAOWLGD-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012364 555588665 /nfs/dbraw/zinc/58/86/65/555588665.db2.gz PEMSSNHWFDHSMW-IBGZPJMESA-N 0 0 486.634 4.924 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2cccc(Cl)c2)cc1 ZINC000020012472 555588701 /nfs/dbraw/zinc/58/87/01/555588701.db2.gz APEPYRPDVTZLOS-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711352 555588815 /nfs/dbraw/zinc/58/88/15/555588815.db2.gz KZLZNGVHNQHEGA-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013708625 555588922 /nfs/dbraw/zinc/58/89/22/555588922.db2.gz DMLNNRFJISWXRH-LJQANCHMSA-N 0 0 452.576 4.811 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020013468 555589692 /nfs/dbraw/zinc/58/96/92/555589692.db2.gz BDQIJNCBULUPAK-OAQYLSRUSA-N 0 0 472.651 4.821 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000020014147 555590282 /nfs/dbraw/zinc/59/02/82/555590282.db2.gz OGMNIAAQAMVAKX-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C2CCCCC2)cc1Cl ZINC000020014407 555590561 /nfs/dbraw/zinc/59/05/61/555590561.db2.gz OIZQKFDEATUDBW-HSZRJFAPSA-N 0 0 491.053 4.866 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713477 555590881 /nfs/dbraw/zinc/59/08/81/555590881.db2.gz LLCVKUDGIICCFM-FQEVSTJZSA-N 0 0 489.490 4.896 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000020015182 555591087 /nfs/dbraw/zinc/59/10/87/555591087.db2.gz PKWHHCGRBRWZTE-UHFFFAOYSA-N 0 0 498.445 4.691 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020015120 555591119 /nfs/dbraw/zinc/59/11/19/555591119.db2.gz ATVDISWMANAFPM-UHFFFAOYSA-N 0 0 490.528 4.515 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1N1CCCC1 ZINC000010009910 555591658 /nfs/dbraw/zinc/59/16/58/555591658.db2.gz WDGXLMUUMAIGGV-UHFFFAOYSA-N 0 0 491.657 4.818 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714332 555591802 /nfs/dbraw/zinc/59/18/02/555591802.db2.gz YZTUYGSKJFJOSX-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000010010129 555591977 /nfs/dbraw/zinc/59/19/77/555591977.db2.gz REZRWJFNHOKVHF-UHFFFAOYSA-N 0 0 468.600 4.994 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000020016362 555592252 /nfs/dbraw/zinc/59/22/52/555592252.db2.gz QUESODIENHAVAO-LBPRGKRZSA-N 0 0 498.445 4.737 40 0 JJABRN CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714958 555592535 /nfs/dbraw/zinc/59/25/35/555592535.db2.gz WOOBUDCNWUDIEZ-JOCHJYFZSA-N 0 0 456.995 4.790 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1 ZINC000010010414 555592711 /nfs/dbraw/zinc/59/27/11/555592711.db2.gz YUYUDCFTYLUVQV-UHFFFAOYSA-N 0 0 456.757 4.576 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020016891 555592712 /nfs/dbraw/zinc/59/27/12/555592712.db2.gz GNZRREPYJTVONS-CYBMUJFWSA-N 0 0 480.430 4.764 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)cc1Cl ZINC000020016872 555592775 /nfs/dbraw/zinc/59/27/75/555592775.db2.gz MSMVVORWJHMLPM-LBPRGKRZSA-N 0 0 494.894 4.546 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2c(C)cc(Cl)cc2Cl)CC1 ZINC000010010530 555593050 /nfs/dbraw/zinc/59/30/50/555593050.db2.gz CUOJPHWOWBIYBI-UHFFFAOYSA-N 0 0 470.784 4.641 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715536 555593054 /nfs/dbraw/zinc/59/30/54/555593054.db2.gz UZPFEEAEPRLQIU-IBGZPJMESA-N 0 0 493.453 4.727 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)cc1C ZINC000020017280 555593053 /nfs/dbraw/zinc/59/30/53/555593053.db2.gz VBFXLRXFYCERQT-UHFFFAOYSA-N 0 0 488.503 4.591 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716273 555593654 /nfs/dbraw/zinc/59/36/54/555593654.db2.gz JMQVVIWLNNNHER-OAQYLSRUSA-N 0 0 469.072 4.551 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000020017953 555593901 /nfs/dbraw/zinc/59/39/01/555593901.db2.gz YMJHFXCDDCIURG-FQEVSTJZSA-N 0 0 467.418 4.588 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000020018294 555594194 /nfs/dbraw/zinc/59/41/94/555594194.db2.gz QQHRIIAYJYBFDG-SFHVURJKSA-N 0 0 468.644 4.840 40 0 JJABRN COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 ZINC000010013447 555594730 /nfs/dbraw/zinc/59/47/30/555594730.db2.gz KFESUTYCOAGCAU-HSWFVFMJSA-N 0 0 461.517 4.897 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000020019109 555595372 /nfs/dbraw/zinc/59/53/72/555595372.db2.gz MSHLOWHNCBPZOX-ZWKOTPCHSA-N 0 0 472.994 4.636 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020019816 555595886 /nfs/dbraw/zinc/59/58/86/555595886.db2.gz LLJVDNIUHQVEQK-UHFFFAOYSA-N 0 0 496.482 4.683 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000020020293 555596891 /nfs/dbraw/zinc/59/68/91/555596891.db2.gz NKLQAEJUFHEECR-VWLOTQADSA-N 0 0 464.587 4.677 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000020020230 555596949 /nfs/dbraw/zinc/59/69/49/555596949.db2.gz ORCLIPRNCXIMKH-GOSISDBHSA-N 0 0 470.616 4.774 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)c(F)c1 ZINC000020020936 555597883 /nfs/dbraw/zinc/59/78/83/555597883.db2.gz DIAOWNKNEBZIHK-UHFFFAOYSA-N 0 0 486.418 4.802 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000020020705 555597887 /nfs/dbraw/zinc/59/78/87/555597887.db2.gz CYNZYHGZTONBBC-INIZCTEOSA-N 0 0 474.579 4.605 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020021061 555598193 /nfs/dbraw/zinc/59/81/93/555598193.db2.gz RCRXNZIZDYICQU-QGZVFWFLSA-N 0 0 488.993 4.714 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1 ZINC000020021988 555599417 /nfs/dbraw/zinc/59/94/17/555599417.db2.gz HMDZUXRYLBNLJI-IBGZPJMESA-N 0 0 496.654 4.725 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020022300 555599701 /nfs/dbraw/zinc/59/97/01/555599701.db2.gz 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CCOc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OCC)c1OCC ZINC000010039384 555604761 /nfs/dbraw/zinc/60/47/61/555604761.db2.gz JSLJEQUHWUCNHE-UHFFFAOYSA-N 0 0 474.513 4.936 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020035076 555609550 /nfs/dbraw/zinc/60/95/50/555609550.db2.gz UKLWOIKHJYXBHG-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN CC(C)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000020036875 555611210 /nfs/dbraw/zinc/61/12/10/555611210.db2.gz NTTMRCCHXSZGAN-UHFFFAOYSA-N 0 0 481.033 4.503 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1Cl ZINC000020036855 555611218 /nfs/dbraw/zinc/61/12/18/555611218.db2.gz KECWSAGGNTXJAZ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020038255 555612110 /nfs/dbraw/zinc/61/21/10/555612110.db2.gz QSBRTMJIHCJSIM-MRXNPFEDSA-N 0 0 485.993 4.921 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000020038712 555612492 /nfs/dbraw/zinc/61/24/92/555612492.db2.gz PCRLJAHEFWJQHP-LJAQVGFWSA-N 0 0 496.636 4.927 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000020038841 555612500 /nfs/dbraw/zinc/61/25/00/555612500.db2.gz FHSVFELQTFPXMF-AREMUKBSSA-N 0 0 480.605 4.582 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020039328 555612722 /nfs/dbraw/zinc/61/27/22/555612722.db2.gz IGXJXRPSLDNOEX-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000020040463 555613419 /nfs/dbraw/zinc/61/34/19/555613419.db2.gz MYDCQHQBFZTTDG-HHHXNRCGSA-N 0 0 476.598 4.750 40 0 JJABRN COC(=O)c1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000020044727 555615892 /nfs/dbraw/zinc/61/58/92/555615892.db2.gz FYUPDNQTQSNGNY-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(C)cc2)c2ccc(F)cc2)cc1 ZINC000020045030 555615915 /nfs/dbraw/zinc/61/59/15/555615915.db2.gz BKXNBEUYNGKRQJ-RUZDIDTESA-N 0 0 484.593 4.996 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000020046670 555617191 /nfs/dbraw/zinc/61/71/91/555617191.db2.gz SPVQBIPTTXSRGP-UHFFFAOYSA-N 0 0 472.994 4.635 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020047264 555617532 /nfs/dbraw/zinc/61/75/32/555617532.db2.gz WLVQMLNVBVEPHD-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020047587 555617955 /nfs/dbraw/zinc/61/79/55/555617955.db2.gz KDKVDKKYWKPHCZ-SANMLTNESA-N 0 0 464.631 4.964 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020047728 555617976 /nfs/dbraw/zinc/61/79/76/555617976.db2.gz NNYBOACMBKYZMS-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN CN(c1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1)S(C)(=O)=O ZINC000020048396 555618290 /nfs/dbraw/zinc/61/82/90/555618290.db2.gz YGDHRJQFVNQJRY-UHFFFAOYSA-N 0 0 464.587 4.863 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4ccnc4)cc3)ccc2C)c1C ZINC000020048808 555618455 /nfs/dbraw/zinc/61/84/55/555618455.db2.gz NRTXQGWGUAJPNF-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2)cc1 ZINC000020049736 555618965 /nfs/dbraw/zinc/61/89/65/555618965.db2.gz QKBVOYDCOJQBSY-VWLOTQADSA-N 0 0 466.603 4.794 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020050353 555619610 /nfs/dbraw/zinc/61/96/10/555619610.db2.gz VWXDWXOQPQYGBJ-GOSISDBHSA-N 0 0 462.921 4.701 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000020050614 555619707 /nfs/dbraw/zinc/61/97/07/555619707.db2.gz UWZGGOAWXJLXQK-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010110273 555619989 /nfs/dbraw/zinc/61/99/89/555619989.db2.gz UBBCPLICBYUVQH-UHFFFAOYSA-N 0 0 480.674 4.669 40 0 JJABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000020050722 555620103 /nfs/dbraw/zinc/62/01/03/555620103.db2.gz GVWOENHLCRQNOA-INIZCTEOSA-N 0 0 489.391 4.964 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010110470 555620198 /nfs/dbraw/zinc/62/01/98/555620198.db2.gz FNJXIALPFFSTEG-UHFFFAOYSA-N 0 0 471.022 4.977 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110913 555621129 /nfs/dbraw/zinc/62/11/29/555621129.db2.gz RZTPBEMETKUZEC-UHFFFAOYSA-N 0 0 494.657 4.955 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 ZINC000010110895 555621152 /nfs/dbraw/zinc/62/11/52/555621152.db2.gz PAZOHLBSKVSDOG-UHFFFAOYSA-N 0 0 480.630 4.592 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000010110963 555621431 /nfs/dbraw/zinc/62/14/31/555621431.db2.gz FCTKRBVQVQVZON-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000010112258 555625313 /nfs/dbraw/zinc/62/53/13/555625313.db2.gz NCIKDMWMIRKTIA-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000013842124 555631457 /nfs/dbraw/zinc/63/14/57/555631457.db2.gz MOSFVALNSDATBH-UHFFFAOYSA-N 0 0 451.379 4.994 40 0 JJABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000010119977 555631971 /nfs/dbraw/zinc/63/19/71/555631971.db2.gz MCXGROIDLUOCPF-JTQLQIEISA-N 0 0 464.334 4.574 40 0 JJABRN COc1cc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc(OC)c1OC ZINC000010120197 555632302 /nfs/dbraw/zinc/63/23/02/555632302.db2.gz ANAZYRYJLKMRLQ-UHFFFAOYSA-N 0 0 494.500 4.799 40 0 JJABRN CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000013844277 555632969 /nfs/dbraw/zinc/63/29/69/555632969.db2.gz AARIOBRCXJEAGA-UHFFFAOYSA-N 0 0 451.379 4.994 40 0 JJABRN CCOc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C ZINC000013844308 555633186 /nfs/dbraw/zinc/63/31/86/555633186.db2.gz PVTNTVZMGCZBNJ-UHFFFAOYSA-N 0 0 467.378 4.830 40 0 JJABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000013845272 555633740 /nfs/dbraw/zinc/63/37/40/555633740.db2.gz AOEXIPZNKRHDMD-UHFFFAOYSA-N 0 0 467.378 4.923 40 0 JJABRN O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128644 555634161 /nfs/dbraw/zinc/63/41/61/555634161.db2.gz LAFKYZNZGVNRDQ-HXUWFJFHSA-N 0 0 493.810 4.631 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020104201 555636272 /nfs/dbraw/zinc/63/62/72/555636272.db2.gz ZQTKVWAYKLGNBZ-QHCPKHFHSA-N 0 0 466.603 4.857 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020104716 555637083 /nfs/dbraw/zinc/63/70/83/555637083.db2.gz QXDYILQFVYSRAQ-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(CC)cc3)n2CC)cc1 ZINC000013871587 555637923 /nfs/dbraw/zinc/63/79/23/555637923.db2.gz XEJLAEOSTSBLNS-KRWDZBQOSA-N 0 0 482.606 4.908 40 0 JJABRN COc1ccc(-c2c(C(C)C)nn3c2nnc2c3C[C@H](c3ccccc3O)CC2=O)cc1OC ZINC000010156994 555638251 /nfs/dbraw/zinc/63/82/51/555638251.db2.gz MNKQXDGCAFWBNX-INIZCTEOSA-N 0 0 458.518 4.550 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020105132 555638385 /nfs/dbraw/zinc/63/83/85/555638385.db2.gz PXTWGAQYUFNQHY-KRWDZBQOSA-N 0 0 490.984 4.869 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000020105278 555638742 /nfs/dbraw/zinc/63/87/42/555638742.db2.gz KRHFPBOSEQEZJP-QGZVFWFLSA-N 0 0 486.615 4.932 40 0 JJABRN Cc1cc(C)c2cc(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000020109186 555644957 /nfs/dbraw/zinc/64/49/57/555644957.db2.gz HNJAXODWURICGU-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020111418 555648112 /nfs/dbraw/zinc/64/81/12/555648112.db2.gz MOBRSWIFQPIXFS-RUZDIDTESA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000020111741 555649020 /nfs/dbraw/zinc/64/90/20/555649020.db2.gz CNHZREXVXUQWLK-OAQYLSRUSA-N 0 0 465.015 4.650 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020111765 555649023 /nfs/dbraw/zinc/64/90/23/555649023.db2.gz KIKYIJGOPUDYBR-KRWDZBQOSA-N 0 0 456.589 4.924 40 0 JJABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc(I)ccc1Cl ZINC000020138559 555661687 /nfs/dbraw/zinc/66/16/87/555661687.db2.gz HNUSUMFGJOMLSC-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992615 555668006 /nfs/dbraw/zinc/66/80/06/555668006.db2.gz BTLLNUIUTZNEGJ-SFHVURJKSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000014006298 555668240 /nfs/dbraw/zinc/66/82/40/555668240.db2.gz XYQUFXSBYPYEPP-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014013198 555670280 /nfs/dbraw/zinc/67/02/80/555670280.db2.gz FFRBWNPTHHIRCY-HSZRJFAPSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020152607 555670496 /nfs/dbraw/zinc/67/04/96/555670496.db2.gz YDOKQXBFYRLNAT-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl ZINC000020152924 555671116 /nfs/dbraw/zinc/67/11/16/555671116.db2.gz WSVORWYQJNXTHI-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1F ZINC000010280560 555672229 /nfs/dbraw/zinc/67/22/29/555672229.db2.gz LNGSMWMUIBSRFU-UHFFFAOYSA-N 0 0 493.025 4.724 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1F ZINC000010280577 555672281 /nfs/dbraw/zinc/67/22/81/555672281.db2.gz DOIRURWFCXHEHE-UHFFFAOYSA-N 0 0 493.025 4.724 40 0 JJABRN COc1ccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 ZINC000020153754 555672980 /nfs/dbraw/zinc/67/29/80/555672980.db2.gz WWRMTUHNSRINKP-UHFFFAOYSA-N 0 0 462.980 4.706 40 0 JJABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014022255 555673399 /nfs/dbraw/zinc/67/33/99/555673399.db2.gz XAXHYLMEQPTITD-HSZRJFAPSA-N 0 0 454.548 4.601 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000010294588 555674733 /nfs/dbraw/zinc/67/47/33/555674733.db2.gz ISKZUIBQMNOSFR-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294377 555674762 /nfs/dbraw/zinc/67/47/62/555674762.db2.gz MHCYIKWXSWQZCA-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010299997 555676908 /nfs/dbraw/zinc/67/69/08/555676908.db2.gz MADQYNWNBNRQSC-UHFFFAOYSA-N 0 0 492.956 4.639 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000010300475 555677211 /nfs/dbraw/zinc/67/72/11/555677211.db2.gz PPHPGKWPLDBYFN-UHFFFAOYSA-N 0 0 485.433 4.764 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)c2)cc1 ZINC000010314459 555680178 /nfs/dbraw/zinc/68/01/78/555680178.db2.gz DQJKKQLADGYRKX-UHFFFAOYSA-N 0 0 499.592 4.978 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(I)cc3)c2)cc1 ZINC000010314446 555680197 /nfs/dbraw/zinc/68/01/97/555680197.db2.gz XVHOUHFFJUWGSB-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314822 555680832 /nfs/dbraw/zinc/68/08/32/555680832.db2.gz YPOBDNOGTLLAFW-UHFFFAOYSA-N 0 0 479.602 4.886 40 0 JJABRN COc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c(OC)cc1Cl ZINC000010315021 555681243 /nfs/dbraw/zinc/68/12/43/555681243.db2.gz YCXOBZUPBBFWCE-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1OC ZINC000014083348 555682386 /nfs/dbraw/zinc/68/23/86/555682386.db2.gz LTLHQCPEQLDVSY-UHFFFAOYSA-N 0 0 453.351 4.537 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1Br ZINC000020177076 555682873 /nfs/dbraw/zinc/68/28/73/555682873.db2.gz RIRLUQCOMXWIDR-UHFFFAOYSA-N 0 0 475.364 4.727 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000010324683 555683719 /nfs/dbraw/zinc/68/37/19/555683719.db2.gz QJSOFPFQQXCCJM-OAHLLOKOSA-N 0 0 468.962 4.534 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)n2CC)cc1 ZINC000014084761 555683928 /nfs/dbraw/zinc/68/39/28/555683928.db2.gz MWKGLLUPTYQJLI-UHFFFAOYSA-N 0 0 474.970 4.535 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325350 555683990 /nfs/dbraw/zinc/68/39/90/555683990.db2.gz LLEQNXYVEOYAHN-OAHLLOKOSA-N 0 0 471.376 4.841 40 0 JJABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014091674 555685004 /nfs/dbraw/zinc/68/50/04/555685004.db2.gz GZUBVDUSUSOUCF-UHFFFAOYSA-N 0 0 465.604 4.752 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O ZINC000010328734 555686843 /nfs/dbraw/zinc/68/68/43/555686843.db2.gz MXEYOBBIFSKBFT-CQSZACIVSA-N 0 0 493.453 4.645 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000010330936 555687626 /nfs/dbraw/zinc/68/76/26/555687626.db2.gz HWRSEYLGQXBZQD-QGZVFWFLSA-N 0 0 488.993 4.721 40 0 JJABRN COc1ccccc1CNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000010332765 555688642 /nfs/dbraw/zinc/68/86/42/555688642.db2.gz WCPBAAYIIZCGDI-UHFFFAOYSA-N 0 0 493.412 4.898 40 0 JJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010332868 555688660 /nfs/dbraw/zinc/68/86/60/555688660.db2.gz NZGFXVXIWBOCCI-UHFFFAOYSA-N 0 0 497.592 4.573 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000010334159 555689424 /nfs/dbraw/zinc/68/94/24/555689424.db2.gz DSJPNZNSRKYNAE-UHFFFAOYSA-N 0 0 464.628 4.588 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000010335128 555690111 /nfs/dbraw/zinc/69/01/11/555690111.db2.gz GLOWXKAZRQHWTR-OAHLLOKOSA-N 0 0 475.463 4.506 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010335584 555690473 /nfs/dbraw/zinc/69/04/73/555690473.db2.gz VTOVVFPBNFSRCK-UHFFFAOYSA-N 0 0 458.967 4.876 40 0 JJABRN CC(C)OCCCNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010337841 555692323 /nfs/dbraw/zinc/69/23/23/555692323.db2.gz KOVQLTCPUHAYML-UHFFFAOYSA-N 0 0 473.422 4.505 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010338656 555692953 /nfs/dbraw/zinc/69/29/53/555692953.db2.gz POVATNYCGRKLHB-UHFFFAOYSA-N 0 0 462.930 4.706 40 0 JJABRN CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000014117591 555693080 /nfs/dbraw/zinc/69/30/80/555693080.db2.gz LXENHFDPIRGXOI-UHFFFAOYSA-N 0 0 453.593 4.834 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000020195572 555695342 /nfs/dbraw/zinc/69/53/42/555695342.db2.gz PDGFOEGCNZUFJI-UHFFFAOYSA-N 0 0 451.335 4.686 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010366246 555698234 /nfs/dbraw/zinc/69/82/34/555698234.db2.gz ZJQYDYCJTDSUBA-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN Cc1cc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br ZINC000010372463 555700579 /nfs/dbraw/zinc/70/05/79/555700579.db2.gz IQLFLXXCSGOCKV-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000014134635 555703003 /nfs/dbraw/zinc/70/30/03/555703003.db2.gz ZKWDFMBWAQRAMW-UHFFFAOYSA-N 0 0 469.339 4.683 40 0 JJABRN COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)c1 ZINC000014152952 555708759 /nfs/dbraw/zinc/70/87/59/555708759.db2.gz ZUILAHDTENSOKT-UHFFFAOYSA-N 0 0 477.464 4.688 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000010434155 555708859 /nfs/dbraw/zinc/70/88/59/555708859.db2.gz CITIQZDMQOURAN-UHFFFAOYSA-N 0 0 489.490 4.898 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014153472 555709291 /nfs/dbraw/zinc/70/92/91/555709291.db2.gz PRQQBIVEVPIDKS-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000010441192 555711041 /nfs/dbraw/zinc/71/10/41/555711041.db2.gz DHKYLCBJVPIQKY-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)c1C ZINC000010442371 555711288 /nfs/dbraw/zinc/71/12/88/555711288.db2.gz LPRCYKVUJGEMRK-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1C ZINC000010443115 555711918 /nfs/dbraw/zinc/71/19/18/555711918.db2.gz YQEPADDWHPLUKF-UHFFFAOYSA-N 0 0 493.796 4.537 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010444479 555712415 /nfs/dbraw/zinc/71/24/15/555712415.db2.gz KHSAAINVQSPATF-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000014154867 555712439 /nfs/dbraw/zinc/71/24/39/555712439.db2.gz LSILUNRIGHJNGH-MRXNPFEDSA-N 0 0 489.490 4.814 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)c1C ZINC000014154991 555712871 /nfs/dbraw/zinc/71/28/71/555712871.db2.gz JSFQAIPUOKHEKL-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000014155255 555713440 /nfs/dbraw/zinc/71/34/40/555713440.db2.gz ISTQGYFJQOFEOQ-LJQANCHMSA-N 0 0 479.602 4.885 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000014155310 555713459 /nfs/dbraw/zinc/71/34/59/555713459.db2.gz ONMLSBVUMOMMRO-UHFFFAOYSA-N 0 0 479.602 4.805 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000014155612 555714054 /nfs/dbraw/zinc/71/40/54/555714054.db2.gz LSPTXDWZYWNGRH-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 ZINC000010448076 555714229 /nfs/dbraw/zinc/71/42/29/555714229.db2.gz OQQGRJCRLAJPRU-UHFFFAOYSA-N 0 0 466.647 4.545 40 0 JJABRN C[C@@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155859 555714607 /nfs/dbraw/zinc/71/46/07/555714607.db2.gz ZJUYJIIWHJRBMP-ZDUSSCGKSA-N 0 0 495.881 4.851 40 0 JJABRN C[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155857 555714611 /nfs/dbraw/zinc/71/46/11/555714611.db2.gz ZJUYJIIWHJRBMP-CYBMUJFWSA-N 0 0 495.881 4.851 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000010449520 555715367 /nfs/dbraw/zinc/71/53/67/555715367.db2.gz DGLWMOFTVMGLTP-UHFFFAOYSA-N 0 0 464.587 4.568 40 0 JJABRN Cc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010449601 555715642 /nfs/dbraw/zinc/71/56/42/555715642.db2.gz RWCVGJFDWWXSOR-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN Cc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010449709 555715878 /nfs/dbraw/zinc/71/58/78/555715878.db2.gz WUVSFQNZUBWOTA-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1 ZINC000010449963 555716451 /nfs/dbraw/zinc/71/64/51/555716451.db2.gz YUXSNPGAIUHHLY-KRWDZBQOSA-N 0 0 452.601 4.825 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000010449865 555716472 /nfs/dbraw/zinc/71/64/72/555716472.db2.gz FVLXHQZHSKPMIB-LJQANCHMSA-N 0 0 496.654 4.980 40 0 JJABRN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Br)cc2)o1 ZINC000010475667 555719506 /nfs/dbraw/zinc/71/95/06/555719506.db2.gz OMXUCUWAPOSNSN-UHFFFAOYSA-N 0 0 490.379 4.719 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000010541273 555724556 /nfs/dbraw/zinc/72/45/56/555724556.db2.gz ZNEUFMPRQYGORA-MRXNPFEDSA-N 0 0 455.407 4.756 40 0 JJABRN C[C@@H]1CCCN(C(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)C1 ZINC000010541713 555724920 /nfs/dbraw/zinc/72/49/20/555724920.db2.gz INQZEZMMNXJPMH-OAHLLOKOSA-N 0 0 455.407 4.832 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020234756 555726777 /nfs/dbraw/zinc/72/67/77/555726777.db2.gz XAOGTLKVQQATDE-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000020234831 555726831 /nfs/dbraw/zinc/72/68/31/555726831.db2.gz YMIRBFVYIUBTLB-UHFFFAOYSA-N 0 0 462.615 4.672 40 0 JJABRN COc1cccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020235618 555728285 /nfs/dbraw/zinc/72/82/85/555728285.db2.gz GKBCOXNLKLCASK-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020235622 555728322 /nfs/dbraw/zinc/72/83/22/555728322.db2.gz RNVFPJGYFBOPDL-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN COc1ccccc1CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020235877 555728820 /nfs/dbraw/zinc/72/88/20/555728820.db2.gz COMVUNSLVKTARL-UHFFFAOYSA-N 0 0 492.519 4.534 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2cccc(Cl)c2C)cc1 ZINC000020236402 555729684 /nfs/dbraw/zinc/72/96/84/555729684.db2.gz QETPENJYDGRNDF-UHFFFAOYSA-N 0 0 498.048 4.501 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000020239132 555733067 /nfs/dbraw/zinc/73/30/67/555733067.db2.gz CBBLBYVKTDIZLB-UHFFFAOYSA-N 0 0 475.397 4.774 40 0 JJABRN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000010692291 555733143 /nfs/dbraw/zinc/73/31/43/555733143.db2.gz HFFDZDJYMCXXBR-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)c2ccc(C)cc2)cc1 ZINC000020239514 555733649 /nfs/dbraw/zinc/73/36/49/555733649.db2.gz BNFSGFKYUQFOTR-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1Cl ZINC000010693408 555734017 /nfs/dbraw/zinc/73/40/17/555734017.db2.gz PDLGANFVENUIAS-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693443 555734092 /nfs/dbraw/zinc/73/40/92/555734092.db2.gz XYCKYZGGSXHCML-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)ccc21 ZINC000020244964 555740918 /nfs/dbraw/zinc/74/09/18/555740918.db2.gz DXNAVAZBSKWVQG-UHFFFAOYSA-N 0 0 478.618 4.683 40 0 JJABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000020245806 555741555 /nfs/dbraw/zinc/74/15/55/555741555.db2.gz TWUVRFQBTINSKM-UHFFFAOYSA-N 0 0 459.955 4.627 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4Cl)c(C)c3)nn12 ZINC000014269102 555757643 /nfs/dbraw/zinc/75/76/43/555757643.db2.gz UDEQDFWCQYBIAI-UHFFFAOYSA-N 0 0 471.011 4.812 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3C)nn12 ZINC000014269126 555757940 /nfs/dbraw/zinc/75/79/40/555757940.db2.gz BJEMIPJSFCXBEI-UHFFFAOYSA-N 0 0 456.984 4.558 40 0 JJABRN COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000011117409 555760388 /nfs/dbraw/zinc/76/03/88/555760388.db2.gz LBHWQGQVBFHAAS-VQTJNVASSA-N 0 0 458.381 4.965 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(C)=O)cc1 ZINC000014270028 555760944 /nfs/dbraw/zinc/76/09/44/555760944.db2.gz OHADQZLZBFCUGT-UHFFFAOYSA-N 0 0 457.349 4.940 40 0 JJABRN Cc1nc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000014270744 555763610 /nfs/dbraw/zinc/76/36/10/555763610.db2.gz VMFMVXXGPJEZBD-UHFFFAOYSA-N 0 0 456.365 4.858 40 0 JJABRN O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1F ZINC000014270906 555764111 /nfs/dbraw/zinc/76/41/11/555764111.db2.gz QOBBLSQKDKOTQO-UHFFFAOYSA-N 0 0 471.311 4.918 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(Cl)c1 ZINC000014270959 555764393 /nfs/dbraw/zinc/76/43/93/555764393.db2.gz URMNCGGPDJMIDT-UHFFFAOYSA-N 0 0 453.930 4.957 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc2ccccc2c1 ZINC000014271049 555764661 /nfs/dbraw/zinc/76/46/61/555764661.db2.gz JQOPMPBNMDTOLK-UHFFFAOYSA-N 0 0 450.276 4.710 40 0 JJABRN O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000014271229 555765494 /nfs/dbraw/zinc/76/54/94/555765494.db2.gz WSNRBELJVFUFPC-UHFFFAOYSA-N 0 0 468.376 4.757 40 0 JJABRN Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000014271266 555765499 /nfs/dbraw/zinc/76/54/99/555765499.db2.gz JIKHTTIMUDHDCN-UHFFFAOYSA-N 0 0 459.527 4.886 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 ZINC000014271561 555766657 /nfs/dbraw/zinc/76/66/57/555766657.db2.gz RTPMGEOTZSLRLK-AWEZNQCLSA-N 0 0 459.637 4.524 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014271566 555766730 /nfs/dbraw/zinc/76/67/30/555766730.db2.gz WNDQMOKGUHISNO-CQSZACIVSA-N 0 0 459.637 4.524 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000014271723 555767268 /nfs/dbraw/zinc/76/72/68/555767268.db2.gz QLKZHUJBEXHXQO-UHFFFAOYSA-N 0 0 472.614 4.539 40 0 JJABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000014271784 555767612 /nfs/dbraw/zinc/76/76/12/555767612.db2.gz ARZRIBFBECHSJZ-UHFFFAOYSA-N 0 0 462.594 4.583 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)cn1 ZINC000014272410 555769695 /nfs/dbraw/zinc/76/96/95/555769695.db2.gz BQPODCSTOPJKSQ-UHFFFAOYSA-N 0 0 464.939 4.630 40 0 JJABRN CCc1cc(I)ccc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F ZINC000014272954 555771558 /nfs/dbraw/zinc/77/15/58/555771558.db2.gz JXZNLXGZPFEBHK-UHFFFAOYSA-N 0 0 453.173 4.671 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020323521 555771712 /nfs/dbraw/zinc/77/17/12/555771712.db2.gz SZLQJIMKRAPSHV-LJQANCHMSA-N 0 0 468.575 4.909 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)c2C(N)=O)C1 ZINC000014273346 555773062 /nfs/dbraw/zinc/77/30/62/555773062.db2.gz ZCDYZXJOWVORLG-AWEZNQCLSA-N 0 0 458.539 4.998 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000014273410 555773085 /nfs/dbraw/zinc/77/30/85/555773085.db2.gz YLHXPVCSGNMIFN-UHFFFAOYSA-N 0 0 470.784 4.966 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=O)COc3cccc4ccccc43)cc2Cl)CC1 ZINC000014273415 555773347 /nfs/dbraw/zinc/77/33/47/555773347.db2.gz MCSDFAYHDAVRFU-UHFFFAOYSA-N 0 0 451.954 4.569 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(C)c4OC)cc3n2)cc1Cl ZINC000014274502 555776695 /nfs/dbraw/zinc/77/66/95/555776695.db2.gz XVKRASXIVOYMFD-UHFFFAOYSA-N 0 0 495.992 4.835 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014275152 555779655 /nfs/dbraw/zinc/77/96/55/555779655.db2.gz BJUTYSPZOWKUMA-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014276665 555784237 /nfs/dbraw/zinc/78/42/37/555784237.db2.gz QIQBYYAZVYLQKL-UHFFFAOYSA-N 0 0 493.032 4.738 40 0 JJABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 ZINC000014277309 555785706 /nfs/dbraw/zinc/78/57/06/555785706.db2.gz CCDOHRAYIYEGHC-AWEZNQCLSA-N 0 0 479.387 4.797 40 0 JJABRN O=C(Nc1nc2ccc(NC(=O)c3cccc(I)c3)cc2s1)c1ccco1 ZINC000020410998 555788130 /nfs/dbraw/zinc/78/81/30/555788130.db2.gz FJZBUEGGVDTDIN-UHFFFAOYSA-N 0 0 489.294 4.999 40 0 JJABRN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 ZINC000020411892 555789513 /nfs/dbraw/zinc/78/95/13/555789513.db2.gz HOFCJDBFAJDXGH-UHFFFAOYSA-N 0 0 457.577 4.776 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000020412602 555790401 /nfs/dbraw/zinc/79/04/01/555790401.db2.gz HIFIYVHQXULTEV-UHFFFAOYSA-N 0 0 484.811 4.969 40 0 JJABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014291008 555791675 /nfs/dbraw/zinc/79/16/75/555791675.db2.gz HMTAYMCWSLBYIF-MRXNPFEDSA-N 0 0 488.371 4.955 40 0 JJABRN CCOc1cc(OCC)cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000014291139 555792256 /nfs/dbraw/zinc/79/22/56/555792256.db2.gz GUSJJWVDWHFOMB-UHFFFAOYSA-N 0 0 474.001 4.694 40 0 JJABRN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000014291070 555792268 /nfs/dbraw/zinc/79/22/68/555792268.db2.gz GMGOPLPZHPSMBH-UHFFFAOYSA-N 0 0 494.400 4.587 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000020528851 555793254 /nfs/dbraw/zinc/79/32/54/555793254.db2.gz MFWSMGKMHAIOHG-LICLKQGHSA-N 0 0 469.585 4.629 40 0 JJABRN Cc1cc(OS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000011691570 555800642 /nfs/dbraw/zinc/80/06/42/555800642.db2.gz CAGAZTTZLHAXMV-UHFFFAOYSA-N 0 0 488.352 4.998 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000014396866 555802600 /nfs/dbraw/zinc/80/26/00/555802600.db2.gz MGLXRCAPKDEPGV-DEOSSOPVSA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000014396864 555802607 /nfs/dbraw/zinc/80/26/07/555802607.db2.gz MGLXRCAPKDEPGV-XMMPIXPASA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000014398080 555803916 /nfs/dbraw/zinc/80/39/16/555803916.db2.gz OVAKUGWAOAXFFW-JOCHJYFZSA-N 0 0 474.966 4.946 40 0 JJABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000014400435 555805931 /nfs/dbraw/zinc/80/59/31/555805931.db2.gz VCUKHAVCPDJJAJ-MRXNPFEDSA-N 0 0 474.966 4.864 40 0 JJABRN CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014404962 555807491 /nfs/dbraw/zinc/80/74/91/555807491.db2.gz YCVDECQLZYCKPJ-UHFFFAOYSA-N 0 0 467.529 4.952 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000014412785 555812013 /nfs/dbraw/zinc/81/20/13/555812013.db2.gz ONFAWHMVRWCACV-UHFFFAOYSA-N 0 0 453.322 4.967 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000014413215 555812260 /nfs/dbraw/zinc/81/22/60/555812260.db2.gz SGICEPXZHMPXBE-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccccc1C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C ZINC000014607306 555836151 /nfs/dbraw/zinc/83/61/51/555836151.db2.gz BMXVYGKAWXDPKU-MBSDFSHPSA-N 0 0 450.560 4.642 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C[C@@H]4C)cc1 ZINC000014671830 555837443 /nfs/dbraw/zinc/83/74/43/555837443.db2.gz KVUJBUPCDJRHMJ-YHAMSUFESA-N 0 0 464.587 4.737 40 0 JJABRN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(C)C ZINC000021270776 555850562 /nfs/dbraw/zinc/85/05/62/555850562.db2.gz VFDZXGHOGAEJSX-MOSHPQCFSA-N 0 0 456.589 4.666 40 0 JJABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000021954900 555857612 /nfs/dbraw/zinc/85/76/12/555857612.db2.gz QDSYBIWVAXMLHB-UHFFFAOYSA-N 0 0 482.612 4.884 40 0 JJABRN O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000015017231 555858383 /nfs/dbraw/zinc/85/83/83/555858383.db2.gz KXIYTCKJVXACKI-XNMGPUDCSA-N 0 0 459.977 4.928 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000015084336 555874226 /nfs/dbraw/zinc/87/42/26/555874226.db2.gz XQBFSHNKXWHZTA-UHFFFAOYSA-N 0 0 464.868 4.537 40 0 JJABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022109636 555876465 /nfs/dbraw/zinc/87/64/65/555876465.db2.gz XDBYYZJJSADEQU-UHFFFAOYSA-N 0 0 464.339 4.575 40 0 JJABRN CCc1n[nH]c(=S)n1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022110464 555877517 /nfs/dbraw/zinc/87/75/17/555877517.db2.gz UMHVJEMGZMFZLM-UHFFFAOYSA-N 0 0 467.364 4.736 40 0 JJABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1cccc(Cl)c1 ZINC000022111240 555878657 /nfs/dbraw/zinc/87/86/57/555878657.db2.gz NQNGXUNDLSTARD-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN CCn1nnnc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111910 555879129 /nfs/dbraw/zinc/87/91/29/555879129.db2.gz QQMVBISEQBMYEM-UHFFFAOYSA-N 0 0 457.159 4.953 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccc(OC)cc1 ZINC000022160694 555881868 /nfs/dbraw/zinc/88/18/68/555881868.db2.gz KGVOKOLGIRKYBY-UHFFFAOYSA-N 0 0 461.385 4.775 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000012017521 555885272 /nfs/dbraw/zinc/88/52/72/555885272.db2.gz PKKVEPJHYSGKOU-ACRUOGEOSA-N 0 0 482.945 4.629 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231646 555890224 /nfs/dbraw/zinc/89/02/24/555890224.db2.gz YDOLFMBFOXYJJT-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000022231732 555890566 /nfs/dbraw/zinc/89/05/66/555890566.db2.gz JUKGARNLTPXXKG-UHFFFAOYSA-N 0 0 470.616 4.701 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232087 555891118 /nfs/dbraw/zinc/89/11/18/555891118.db2.gz BOGMCNLPGYZLLB-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015269927 555891379 /nfs/dbraw/zinc/89/13/79/555891379.db2.gz FLSCCXUOQRHVFD-UHFFFAOYSA-N 0 0 470.978 4.956 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232116 555891436 /nfs/dbraw/zinc/89/14/36/555891436.db2.gz BUNVJQJQQYTUGL-UHFFFAOYSA-N 0 0 472.994 4.886 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232119 555891439 /nfs/dbraw/zinc/89/14/39/555891439.db2.gz MIHQCNLTGWCIEJ-UHFFFAOYSA-N 0 0 472.994 4.886 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000022232411 555891545 /nfs/dbraw/zinc/89/15/45/555891545.db2.gz UQJFILONZFTXRJ-UHFFFAOYSA-N 0 0 498.910 4.741 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232682 555892145 /nfs/dbraw/zinc/89/21/45/555892145.db2.gz DKPFWRHSUIJTQZ-UHFFFAOYSA-N 0 0 474.579 4.531 40 0 JJABRN O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1CN1C(=O)c2ccccc2C1=O ZINC000015277012 555892624 /nfs/dbraw/zinc/89/26/24/555892624.db2.gz KHUOBLGJZQUDTB-UHFFFAOYSA-N 0 0 472.500 4.946 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(C)c1 ZINC000022233756 555894159 /nfs/dbraw/zinc/89/41/59/555894159.db2.gz AGFUCNFHIKTMKS-UHFFFAOYSA-N 0 0 470.566 4.735 40 0 JJABRN CCOC(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O)c1ccccc1 ZINC000015307431 555895639 /nfs/dbraw/zinc/89/56/39/555895639.db2.gz XWUWWVHTNHOSFH-OAQYLSRUSA-N 0 0 497.425 4.967 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(SC)cc2)cc1 ZINC000022247963 555898414 /nfs/dbraw/zinc/89/84/14/555898414.db2.gz OIDCLGIGSAVWIP-KBMIEXCESA-N 0 0 498.670 4.574 40 0 JJABRN Cc1ccc([C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc2)cc1 ZINC000015322039 555898736 /nfs/dbraw/zinc/89/87/36/555898736.db2.gz JLSYIONXDCTQQE-SANMLTNESA-N 0 0 462.615 4.997 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC ZINC000022248974 555899236 /nfs/dbraw/zinc/89/92/36/555899236.db2.gz QMQYFDUPSLLSDT-UHFFFAOYSA-N 0 0 453.004 4.513 40 0 JJABRN COc1cc(C(=O)Nc2cccc(C)c2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253360 555901472 /nfs/dbraw/zinc/90/14/72/555901472.db2.gz KOGBCNUNIVVVNB-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1cc(C(=O)Nc2cc(C)ccc2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254404 555902886 /nfs/dbraw/zinc/90/28/86/555902886.db2.gz MBBCGJGPJUNHIS-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN CCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256246 555904390 /nfs/dbraw/zinc/90/43/90/555904390.db2.gz FJJMHXLNWIVEJX-OAQYLSRUSA-N 0 0 478.593 4.717 40 0 JJABRN CC[C@H](C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(I)cc1 ZINC000022257690 555905557 /nfs/dbraw/zinc/90/55/57/555905557.db2.gz QFQFZWNCFGUJKM-HNNXBMFYSA-N 0 0 491.329 4.547 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1C ZINC000022268253 555906995 /nfs/dbraw/zinc/90/69/95/555906995.db2.gz WIGUPIPWRUQFMQ-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000022268331 555907336 /nfs/dbraw/zinc/90/73/36/555907336.db2.gz CXJVETWIMUNJEM-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000022269488 555908294 /nfs/dbraw/zinc/90/82/94/555908294.db2.gz WTLHUEYARNSYKW-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000022269550 555908327 /nfs/dbraw/zinc/90/83/27/555908327.db2.gz LYUZNEFBQBRZKO-OAQYLSRUSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000022269470 555908351 /nfs/dbraw/zinc/90/83/51/555908351.db2.gz PQLCBUYVRUPPNU-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000022271377 555909228 /nfs/dbraw/zinc/90/92/28/555909228.db2.gz SMPUCGWQWYOQBB-AREMUKBSSA-N 0 0 474.582 4.767 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000022271461 555909238 /nfs/dbraw/zinc/90/92/38/555909238.db2.gz QVJQDPZAGOFSQI-NRFANRHFSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022271478 555909309 /nfs/dbraw/zinc/90/93/09/555909309.db2.gz BJAUJYYHWPZQKE-NRFANRHFSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022271530 555909463 /nfs/dbraw/zinc/90/94/63/555909463.db2.gz YHXAFGKTABWXDQ-JOCHJYFZSA-N 0 0 492.519 4.632 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022271527 555909485 /nfs/dbraw/zinc/90/94/85/555909485.db2.gz YHXAFGKTABWXDQ-QFIPXVFZSA-N 0 0 492.519 4.632 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000022273587 555910336 /nfs/dbraw/zinc/91/03/36/555910336.db2.gz OHKHVTGXTIGUEX-UHFFFAOYSA-N 0 0 456.995 4.643 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022273973 555910581 /nfs/dbraw/zinc/91/05/81/555910581.db2.gz IUFGSZBOBCFCTN-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000022274371 555911309 /nfs/dbraw/zinc/91/13/09/555911309.db2.gz GWFAAPNIBDTFMO-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000022275683 555912725 /nfs/dbraw/zinc/91/27/25/555912725.db2.gz PZSTZSXPWAQSQS-UHFFFAOYSA-N 0 0 450.604 4.972 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275777 555912771 /nfs/dbraw/zinc/91/27/71/555912771.db2.gz WFOZNZICGUJNBK-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276149 555913398 /nfs/dbraw/zinc/91/33/98/555913398.db2.gz WMIBIXPSAAIILJ-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000012136609 555913785 /nfs/dbraw/zinc/91/37/85/555913785.db2.gz ZHGLTXZFIKPQKB-JZJXAQOMSA-N 0 0 473.662 4.814 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000022276753 555914338 /nfs/dbraw/zinc/91/43/38/555914338.db2.gz KXHBUXXIYYTBEQ-UHFFFAOYSA-N 0 0 454.514 4.658 40 0 JJABRN COc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276857 555914348 /nfs/dbraw/zinc/91/43/48/555914348.db2.gz OTLUJOYKGONKSX-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278080 555916037 /nfs/dbraw/zinc/91/60/37/555916037.db2.gz FSDKQPKZDXJCFD-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278084 555916042 /nfs/dbraw/zinc/91/60/42/555916042.db2.gz JAIQLBJONHQDTQ-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1OC ZINC000022278517 555916260 /nfs/dbraw/zinc/91/62/60/555916260.db2.gz OKORAAPLWAYOPJ-UHFFFAOYSA-N 0 0 482.602 4.771 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022278550 555916544 /nfs/dbraw/zinc/91/65/44/555916544.db2.gz GXVJVJMYCYVUST-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281260 555917015 /nfs/dbraw/zinc/91/70/15/555917015.db2.gz APQXZOLCZYIHCN-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022303822 555919150 /nfs/dbraw/zinc/91/91/50/555919150.db2.gz ZUYWXZHRPADKJI-JOCHJYFZSA-N 0 0 472.994 4.811 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022304596 555919167 /nfs/dbraw/zinc/91/91/67/555919167.db2.gz VCVUMMNZXYZGLL-QHCPKHFHSA-N 0 0 454.979 4.729 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000022306357 555919408 /nfs/dbraw/zinc/91/94/08/555919408.db2.gz XHHOYKXLXKMHKK-HSZRJFAPSA-N 0 0 482.602 4.557 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccccc2C)cc1 ZINC000022316046 555921025 /nfs/dbraw/zinc/92/10/25/555921025.db2.gz KBEXXQWMHLEDAQ-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022339148 555922935 /nfs/dbraw/zinc/92/29/35/555922935.db2.gz KYGLBYNZRPCYMF-HXUWFJFHSA-N 0 0 452.576 4.739 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022339152 555923242 /nfs/dbraw/zinc/92/32/42/555923242.db2.gz KYGLBYNZRPCYMF-FQEVSTJZSA-N 0 0 452.576 4.739 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000022344336 555923490 /nfs/dbraw/zinc/92/34/90/555923490.db2.gz XMJWQQHMKXZABP-XMMPIXPASA-N 0 0 470.566 4.606 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000022346257 555923552 /nfs/dbraw/zinc/92/35/52/555923552.db2.gz IXLZWPCGBNQTAA-DEOSSOPVSA-N 0 0 485.005 4.738 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022362517 555925940 /nfs/dbraw/zinc/92/59/40/555925940.db2.gz CZLQZNLLXIDAKN-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022362316 555926012 /nfs/dbraw/zinc/92/60/12/555926012.db2.gz CDVMSNTYIVLOJW-DEOSSOPVSA-N 0 0 466.603 4.775 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1 ZINC000022524058 555931282 /nfs/dbraw/zinc/93/12/82/555931282.db2.gz VZWJQOMXWGOHLZ-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)c2ccccc12 ZINC000015675079 555933365 /nfs/dbraw/zinc/93/33/65/555933365.db2.gz WHWJGTNVCAEPCU-GCJKJVERSA-N 0 0 467.928 4.923 40 0 biogenic,in-vitro JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccccc4)cc3n2)cc1 ZINC000022708513 555945167 /nfs/dbraw/zinc/94/51/67/555945167.db2.gz GBTGVXBMMNAJSG-UHFFFAOYSA-N 0 0 472.618 4.631 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000022713879 555946857 /nfs/dbraw/zinc/94/68/57/555946857.db2.gz CANSUSHPCCXOHK-UHFFFAOYSA-N 0 0 477.586 4.767 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022716652 555947691 /nfs/dbraw/zinc/94/76/91/555947691.db2.gz PUOSNYQBDZVRHK-UHFFFAOYSA-N 0 0 479.945 4.584 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000022741347 555949306 /nfs/dbraw/zinc/94/93/06/555949306.db2.gz HTASPGKJYWAUQW-UHFFFAOYSA-N 0 0 483.977 4.642 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2I)cc1 ZINC000022743608 555950195 /nfs/dbraw/zinc/95/01/95/555950195.db2.gz GFAQXQGKRKRDQR-UHFFFAOYSA-N 0 0 486.309 4.710 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(I)c2)cc1 ZINC000022743600 555950257 /nfs/dbraw/zinc/95/02/57/555950257.db2.gz UOYYTXQCWAVFHW-UHFFFAOYSA-N 0 0 486.309 4.710 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Br ZINC000022745147 555950856 /nfs/dbraw/zinc/95/08/56/555950856.db2.gz JIQLGVWIJOPKEM-UHFFFAOYSA-N 0 0 487.423 4.526 40 0 JJABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2c1 ZINC000012470440 555982261 /nfs/dbraw/zinc/98/22/61/555982261.db2.gz ZZPUNYWWGBYSSI-CJAUYULYSA-N 0 0 454.578 4.787 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(I)cc3C)o2)c1 ZINC000012674703 556101761 /nfs/dbraw/zinc/10/17/61/556101761.db2.gz YEBGWNMHAGGJFJ-UHFFFAOYSA-N 0 0 495.342 4.601 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1 ZINC000016027670 556116381 /nfs/dbraw/zinc/11/63/81/556116381.db2.gz ZIIPSDDBCZZHDI-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN Cc1cc2sc(NC(=S)NC(=O)COc3ccc(Br)cc3)nc2cc1Cl ZINC000016284241 556132807 /nfs/dbraw/zinc/13/28/07/556132807.db2.gz WUFVCGSQGUHQRG-UHFFFAOYSA-N 0 0 470.801 4.913 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 ZINC000016321481 556135172 /nfs/dbraw/zinc/13/51/72/556135172.db2.gz ZOQZEJOEPQCHIR-UHFFFAOYSA-N 0 0 476.583 4.961 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccccc1I ZINC000016449320 556139440 /nfs/dbraw/zinc/13/94/40/556139440.db2.gz KONPFGBQIZYUOP-UHFFFAOYSA-N 0 0 473.748 4.681 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2Br)CC1 ZINC000016574943 556144644 /nfs/dbraw/zinc/14/46/44/556144644.db2.gz LSCQOWDEEPSAFJ-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013023627 556213028 /nfs/dbraw/zinc/21/30/28/556213028.db2.gz AYJGJLIDJOHZQV-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1c(C)cccc1C ZINC000013023905 556213608 /nfs/dbraw/zinc/21/36/08/556213608.db2.gz GCDVJQJHSQLTHC-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C ZINC000013023906 556213622 /nfs/dbraw/zinc/21/36/22/556213622.db2.gz JLEHNCCWYCQMTE-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024220 556214213 /nfs/dbraw/zinc/21/42/13/556214213.db2.gz RIHGUVDKGPKOES-AREMUKBSSA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024662 556214551 /nfs/dbraw/zinc/21/45/51/556214551.db2.gz VUFYFYNAPWEFEE-MHZLTWQESA-N 0 0 499.615 4.828 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(Br)cc2)C1=O ZINC000017083387 556215088 /nfs/dbraw/zinc/21/50/88/556215088.db2.gz GDEOMFLPWSRWOX-FQEVSTJZSA-N 0 0 481.184 4.819 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013024891 556215141 /nfs/dbraw/zinc/21/51/41/556215141.db2.gz RYXNMYSZWRWYGO-SANMLTNESA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013024857 556215171 /nfs/dbraw/zinc/21/51/71/556215171.db2.gz XJSYQBTWJAXVBI-MHZLTWQESA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024867 556215199 /nfs/dbraw/zinc/21/51/99/556215199.db2.gz NCIKDKGBRIGHEC-RUZDIDTESA-N 0 0 473.552 4.650 40 0 JJABRN COc1ccc(Cl)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013025357 556215809 /nfs/dbraw/zinc/21/58/09/556215809.db2.gz LMJLBPQSJSOAQY-JOCHJYFZSA-N 0 0 453.926 4.784 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)c1OC ZINC000013026002 556217548 /nfs/dbraw/zinc/21/75/48/556217548.db2.gz YQDKIBOQKYXCNL-RUZDIDTESA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013026038 556217574 /nfs/dbraw/zinc/21/75/74/556217574.db2.gz FVCYJWKHCWGNMG-XMMPIXPASA-N 0 0 478.545 4.752 40 0 JJABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc(OC)c1OC ZINC000013026162 556217829 /nfs/dbraw/zinc/21/78/29/556217829.db2.gz NLPUGKAGCLHHPM-XMMPIXPASA-N 0 0 496.535 4.891 40 0 JJABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc(OC)c1OC ZINC000013026177 556217865 /nfs/dbraw/zinc/21/78/65/556217865.db2.gz KVVAKRZZOTWELS-DEOSSOPVSA-N 0 0 496.535 4.891 40 0 JJABRN COc1cc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc(OC)c1OC ZINC000013026146 556217881 /nfs/dbraw/zinc/21/78/81/556217881.db2.gz SBXMMHQYYXALTK-RUZDIDTESA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026412 556218432 /nfs/dbraw/zinc/21/84/32/556218432.db2.gz KAJKHHFYPDAXNJ-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1OC ZINC000013026394 556218445 /nfs/dbraw/zinc/21/84/45/556218445.db2.gz CUXHUFXRTDJMGC-AREMUKBSSA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1OC ZINC000013026396 556218453 /nfs/dbraw/zinc/21/84/53/556218453.db2.gz CUXHUFXRTDJMGC-SANMLTNESA-N 0 0 490.556 4.946 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013026569 556219011 /nfs/dbraw/zinc/21/90/11/556219011.db2.gz CQNQPSMAOKEWKF-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN CCOC(=O)c1sc(NC(=O)CSc2nc(CC)nc3sc(C)c(C)c32)nc1C ZINC000013027903 556221333 /nfs/dbraw/zinc/22/13/33/556221333.db2.gz DTWHUIXLBMFXKL-UHFFFAOYSA-N 0 0 450.611 4.543 40 0 JJABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)cc1C ZINC000013028103 556221710 /nfs/dbraw/zinc/22/17/10/556221710.db2.gz WOAWUFCXTNURKU-UHFFFAOYSA-N 0 0 494.646 4.914 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013028657 556222824 /nfs/dbraw/zinc/22/28/24/556222824.db2.gz ADUZGZHJKDXIMG-MHZLTWQESA-N 0 0 485.588 4.552 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 ZINC000013029832 556224529 /nfs/dbraw/zinc/22/45/29/556224529.db2.gz FKWAOCXYYKAQSS-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013030155 556225029 /nfs/dbraw/zinc/22/50/29/556225029.db2.gz DXSGXVWBSYHBQF-HHHXNRCGSA-N 0 0 485.563 4.712 40 0 JJABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)cc1 ZINC000013030671 556225921 /nfs/dbraw/zinc/22/59/21/556225921.db2.gz LJELTRYYDMIPHL-MUUNZHRXSA-N 0 0 499.615 4.685 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccco1 ZINC000013031501 556228286 /nfs/dbraw/zinc/22/82/86/556228286.db2.gz UWADSVRXWQSECU-AREMUKBSSA-N 0 0 473.577 4.524 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)o1 ZINC000013031578 556228351 /nfs/dbraw/zinc/22/83/51/556228351.db2.gz RMUNDWLXVFBURQ-SANMLTNESA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccs2)cc1 ZINC000013031748 556228906 /nfs/dbraw/zinc/22/89/06/556228906.db2.gz DTBPMMHKNDLBSL-VWLOTQADSA-N 0 0 475.618 4.738 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013031670 556228928 /nfs/dbraw/zinc/22/89/28/556228928.db2.gz LQEJZQUXKOSZJH-DEOSSOPVSA-N 0 0 479.581 4.569 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032368 556230863 /nfs/dbraw/zinc/23/08/63/556230863.db2.gz KZVNRJWYXKJVGY-SANMLTNESA-N 0 0 485.588 4.525 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032275 556230864 /nfs/dbraw/zinc/23/08/64/556230864.db2.gz JHPWGTBCIMERID-MHZLTWQESA-N 0 0 499.615 4.520 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013032567 556231455 /nfs/dbraw/zinc/23/14/55/556231455.db2.gz FKNGIKJMBIYKLO-QFIPXVFZSA-N 0 0 481.647 4.629 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 ZINC000013032493 556231465 /nfs/dbraw/zinc/23/14/65/556231465.db2.gz OCNLVQQNSKJPHF-DEOSSOPVSA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013032681 556231743 /nfs/dbraw/zinc/23/17/43/556231743.db2.gz GPZXAQBKKLMZNZ-DEOSSOPVSA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032590 556231760 /nfs/dbraw/zinc/23/17/60/556231760.db2.gz SISVAAWPCWXQSR-VWLOTQADSA-N 0 0 489.645 4.876 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013032593 556231768 /nfs/dbraw/zinc/23/17/68/556231768.db2.gz QNTGMDDOLPXROQ-DEOSSOPVSA-N 0 0 475.618 4.568 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013032660 556231775 /nfs/dbraw/zinc/23/17/75/556231775.db2.gz WOWVFTRLGXDVIA-DEOSSOPVSA-N 0 0 491.617 4.581 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013032624 556231833 /nfs/dbraw/zinc/23/18/33/556231833.db2.gz XSVHTUOQLITPGS-DEOSSOPVSA-N 0 0 491.617 4.581 40 0 JJABRN COC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc2c1CCCC2 ZINC000026114053 556245097 /nfs/dbraw/zinc/24/50/97/556245097.db2.gz KCJDWJRORXFAIA-UHFFFAOYSA-N 0 0 490.628 4.552 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)N1CCCCC1 ZINC000026115825 556246074 /nfs/dbraw/zinc/24/60/74/556246074.db2.gz VWCOZXAUYOPXBB-UHFFFAOYSA-N 0 0 469.426 4.598 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)N1CCCCC1 ZINC000026116115 556246323 /nfs/dbraw/zinc/24/63/23/556246323.db2.gz GIFGXBGLXOOTBB-UHFFFAOYSA-N 0 0 483.453 4.906 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000026118004 556247603 /nfs/dbraw/zinc/24/76/03/556247603.db2.gz GSAZGVBKYSZITD-UHFFFAOYSA-N 0 0 495.837 4.642 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118239 556247614 /nfs/dbraw/zinc/24/76/14/556247614.db2.gz LUAFBUPVCDLPTB-UHFFFAOYSA-N 0 0 483.453 4.844 40 0 JJABRN CSc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCCCC1 ZINC000026120676 556249096 /nfs/dbraw/zinc/24/90/96/556249096.db2.gz QPIMRJWHHOGLOD-UHFFFAOYSA-N 0 0 462.681 4.672 40 0 JJABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026120597 556249244 /nfs/dbraw/zinc/24/92/44/556249244.db2.gz HOLWBSJNRIWCCU-UHFFFAOYSA-N 0 0 497.038 4.666 40 0 JJABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000017356594 556259483 /nfs/dbraw/zinc/25/94/83/556259483.db2.gz BSWJAUFTMUJDKJ-UHFFFAOYSA-N 0 0 470.548 4.742 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064163 556261414 /nfs/dbraw/zinc/26/14/14/556261414.db2.gz NFMKIRWBFQOMBM-VWLOTQADSA-N 0 0 490.583 4.607 40 0 JJABRN Cc1noc(C)c1C12C[C@@H]3C[C@@H](CC(CC(=O)Nn4c(=O)c5ccccc5[nH]c4=S)(C3)C1)C2 ZINC000017724507 556264791 /nfs/dbraw/zinc/26/47/91/556264791.db2.gz YYEFMJPCPXJRMP-PHBHNISSSA-N 0 0 464.591 4.662 40 0 JJABRN O=C1[C@@H]2[C@H](c3ccc(F)c(Br)c3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000017921132 556271775 /nfs/dbraw/zinc/27/17/75/556271775.db2.gz XXVFAWFFGVBSGV-FSSWDIPSSA-N 0 0 481.321 4.635 40 0 JJABRN O=c1/c(=C\c2ccc(F)cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000027095261 556273802 /nfs/dbraw/zinc/27/38/02/556273802.db2.gz FFPIZWDWOOVYAJ-XSZPGNIMSA-N 0 0 456.517 4.597 40 0 JJABRN CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)CC1 ZINC000013083220 556279412 /nfs/dbraw/zinc/27/94/12/556279412.db2.gz PCWOUJBRZPJOIQ-UHFFFAOYSA-N 0 0 477.396 4.568 40 0 JJABRN Cc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)CC2)cc1 ZINC000013083218 556279438 /nfs/dbraw/zinc/27/94/38/556279438.db2.gz ZOPZIIPNWWPGPN-UHFFFAOYSA-N 0 0 497.386 4.610 40 0 JJABRN CCCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083602 556280243 /nfs/dbraw/zinc/28/02/43/556280243.db2.gz QMDLPTDAMJTFSF-HNNXBMFYSA-N 0 0 491.423 4.958 40 0 JJABRN CCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083598 556280423 /nfs/dbraw/zinc/28/04/23/556280423.db2.gz MWUITIBXIAFBMQ-AWEZNQCLSA-N 0 0 477.396 4.568 40 0 JJABRN Cc1cc(NC(=O)CSc2nnc3n(Cc4c(F)cccc4Cl)c4ccccc4n23)no1 ZINC000013084180 556281698 /nfs/dbraw/zinc/28/16/98/556281698.db2.gz PGZNRRIRERAJBY-UHFFFAOYSA-N 0 0 470.917 4.552 40 0 JJABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)c1cc(C)cc(C)c1 ZINC000013084417 556281830 /nfs/dbraw/zinc/28/18/30/556281830.db2.gz ZWTITMKASOPDRF-QFIPXVFZSA-N 0 0 451.592 4.527 40 0 JJABRN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013084557 556281967 /nfs/dbraw/zinc/28/19/67/556281967.db2.gz FBZZZOLXZKLKSV-UHFFFAOYSA-N 0 0 476.642 4.649 40 0 JJABRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000013084543 556281984 /nfs/dbraw/zinc/28/19/84/556281984.db2.gz LRWBTXAARMIUTB-JOCHJYFZSA-N 0 0 490.691 4.598 40 0 JJABRN Cn1ccs/c1=N\C(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000013095863 556288984 /nfs/dbraw/zinc/28/89/84/556288984.db2.gz QTVWTSDMZOPCSI-LCUIJRPUSA-N 0 0 498.029 4.877 40 0 JJABRN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000027835791 556308853 /nfs/dbraw/zinc/30/88/53/556308853.db2.gz DIBJYHPVNCAVIA-UHFFFAOYSA-N 0 0 468.298 4.894 40 0 JJABRN Cc1ccc(C(C)C)c(OCC(=O)Nn2c(COc3ccccc3C)nc3ccccc3c2=O)c1 ZINC000027829747 556308864 /nfs/dbraw/zinc/30/88/64/556308864.db2.gz AEQDLJXBIWICER-UHFFFAOYSA-N 0 0 471.557 4.865 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000028208176 556318586 /nfs/dbraw/zinc/31/85/86/556318586.db2.gz ABUXMVPNSKEIPI-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN CCOc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000028208764 556319257 /nfs/dbraw/zinc/31/92/57/556319257.db2.gz JDSMEIJTIRKTQV-UHFFFAOYSA-N 0 0 464.587 4.798 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccccc4)cc3c2)cc1OC ZINC000028208923 556319411 /nfs/dbraw/zinc/31/94/11/556319411.db2.gz DCZNBEOIFBEMSO-UHFFFAOYSA-N 0 0 482.583 4.996 40 0 JJABRN COC(=O)c1ccccc1NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209145 556320085 /nfs/dbraw/zinc/32/00/85/556320085.db2.gz FSVAXKIGLHHDIE-UHFFFAOYSA-N 0 0 498.557 4.904 40 0 JJABRN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 ZINC000028296147 556330555 /nfs/dbraw/zinc/33/05/55/556330555.db2.gz PVPWZMTYIWTMCW-DEOSSOPVSA-N 0 0 483.996 4.833 40 0 JJABRN O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(I)cc1 ZINC000028527343 556334442 /nfs/dbraw/zinc/33/44/42/556334442.db2.gz VCIAMNKTTKVAGS-UHFFFAOYSA-N 0 0 487.345 4.848 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000019221031 556335330 /nfs/dbraw/zinc/33/53/30/556335330.db2.gz OHJCBRYTQANPDY-HHHXNRCGSA-N 0 0 496.615 4.906 40 0 aggregator JJABRN Cc1ccccc1CCN(Cc1nnnn1Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019237129 556337654 /nfs/dbraw/zinc/33/76/54/556337654.db2.gz XANYSCRNBLXGRZ-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1O ZINC000028963764 556344924 /nfs/dbraw/zinc/34/49/24/556344924.db2.gz QDPBJXNIJTZQKD-OQLLNIDSSA-N 0 0 452.351 4.578 40 0 JJABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029569290 556353487 /nfs/dbraw/zinc/35/34/87/556353487.db2.gz KCMBQQCBTCJALL-UHFFFAOYSA-N 0 0 485.515 4.834 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1C ZINC000030753324 556371917 /nfs/dbraw/zinc/37/19/17/556371917.db2.gz BVTLDFUTRUSZEB-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccccc1 ZINC000030758098 556373846 /nfs/dbraw/zinc/37/38/46/556373846.db2.gz HLAKWUPMOZSBIK-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030847401 556376149 /nfs/dbraw/zinc/37/61/49/556376149.db2.gz GDBROSOIUNSYRG-UHFFFAOYSA-N 0 0 483.977 4.544 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000030854605 556379482 /nfs/dbraw/zinc/37/94/82/556379482.db2.gz DDCTWYPFATYIEO-QGZVFWFLSA-N 0 0 490.984 4.951 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000030860041 556381210 /nfs/dbraw/zinc/38/12/10/556381210.db2.gz WXKVYETXHKKKAX-DNOBIOAJSA-N 0 0 476.598 4.969 40 0 JJABRN COc1cc([C@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc(OC)c1OC ZINC000019816620 556383015 /nfs/dbraw/zinc/38/30/15/556383015.db2.gz FAVVGNZXYZBDPF-QGZVFWFLSA-N 0 0 490.585 4.664 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1OC ZINC000019816496 556383167 /nfs/dbraw/zinc/38/31/67/556383167.db2.gz SVQQUOOWPSWQKR-SFHVURJKSA-N 0 0 460.559 4.655 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1OC ZINC000019816570 556383191 /nfs/dbraw/zinc/38/31/91/556383191.db2.gz FIFQWBVUHBQQOU-INIZCTEOSA-N 0 0 480.977 5.000 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)c(OC)c1 ZINC000019816956 556383403 /nfs/dbraw/zinc/38/34/03/556383403.db2.gz SHPWWKLKGWBNSD-HNNXBMFYSA-N 0 0 480.977 5.000 40 0 JJABRN CC(C)C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030867986 556383708 /nfs/dbraw/zinc/38/37/08/556383708.db2.gz HEAPIKAOMUAURV-RCZVLFRGSA-N 0 0 464.587 4.547 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000030871078 556385060 /nfs/dbraw/zinc/38/50/60/556385060.db2.gz GHADEBAIYMOGEQ-DEOSSOPVSA-N 0 0 469.006 4.952 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818445 556386005 /nfs/dbraw/zinc/38/60/05/556386005.db2.gz PTIIAQKRFVAJBV-RPBOFIJWSA-N 0 0 493.604 4.613 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818447 556386045 /nfs/dbraw/zinc/38/60/45/556386045.db2.gz PTIIAQKRFVAJBV-DQEYMECFSA-N 0 0 493.604 4.613 40 0 JJABRN CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 ZINC000030881712 556386592 /nfs/dbraw/zinc/38/65/92/556386592.db2.gz KJCFUMVHNGLVMA-GSDHBNRESA-N 0 0 480.697 4.671 40 0 biogenic,in-vitro JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 ZINC000019820547 556390029 /nfs/dbraw/zinc/39/00/29/556390029.db2.gz FVLNXCQPLIVICX-FTJBHMTQSA-N 0 0 467.569 4.957 40 0 JJABRN C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc(O)cc2)[C@H]2[C@](O)(C(C)C)CC[C@@]21C ZINC000031157383 556392699 /nfs/dbraw/zinc/39/26/99/556392699.db2.gz NUXKLJINNAOFAH-JQDHRTQZSA-N 0 0 456.579 4.949 40 0 biogenic,in-vitro JJABRN Cc1ccc(C2=NN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101168 556416674 /nfs/dbraw/zinc/41/66/74/556416674.db2.gz CNDMHUYZWCZUEM-CWTRNNRKSA-N 0 0 461.267 4.957 40 0 JJABRN Cc1ccc(OCC(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)cc1Cl ZINC000032101455 556417023 /nfs/dbraw/zinc/41/70/23/556417023.db2.gz UQNBOWACALKWNI-GOSISDBHSA-N 0 0 491.691 4.677 40 0 JJABRN Cc1ccc(CN(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000032107088 556418494 /nfs/dbraw/zinc/41/84/94/556418494.db2.gz KUQJAUXTBCBESC-UHFFFAOYSA-N 0 0 477.413 4.809 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000032111867 556420871 /nfs/dbraw/zinc/42/08/71/556420871.db2.gz PMPJEACIYFIUKS-UHFFFAOYSA-N 0 0 490.404 4.898 40 0 JJABRN Cc1cc(NC(=S)NC(=O)COc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114842 556421638 /nfs/dbraw/zinc/42/16/38/556421638.db2.gz RRBOEFOIGCBIGO-UHFFFAOYSA-N 0 0 459.527 4.886 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cc1OC ZINC000032115149 556422176 /nfs/dbraw/zinc/42/21/76/556422176.db2.gz DJDBAKVJTKSBDE-UHFFFAOYSA-N 0 0 457.596 4.839 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)cc1OC ZINC000032115438 556422696 /nfs/dbraw/zinc/42/26/96/556422696.db2.gz OEGFBXPGUDWIFG-UHFFFAOYSA-N 0 0 494.411 4.722 40 0 JJABRN O=C(Nc1ccccc1C(=O)OCc1ccc(I)cc1)c1ccccc1 ZINC000032124766 556427799 /nfs/dbraw/zinc/42/77/99/556427799.db2.gz QZNYDFTVLYLZAL-UHFFFAOYSA-N 0 0 457.267 4.901 40 0 JJABRN O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc(I)c1 ZINC000032124970 556428359 /nfs/dbraw/zinc/42/83/59/556428359.db2.gz BCLZDADPGRTOQF-UHFFFAOYSA-N 0 0 455.093 4.647 40 0 JJABRN CCc1ccc(OCC(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000032125270 556429292 /nfs/dbraw/zinc/42/92/92/556429292.db2.gz RFFNVLCXUHSGCB-UHFFFAOYSA-N 0 0 451.514 4.760 40 0 JJABRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1Br ZINC000032125282 556429297 /nfs/dbraw/zinc/42/92/97/556429297.db2.gz XPINWPCOYFORAV-UHFFFAOYSA-N 0 0 464.363 4.664 40 0 JJABRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000032125344 556429629 /nfs/dbraw/zinc/42/96/29/556429629.db2.gz ZPGBYDPUYNTHJF-UHFFFAOYSA-N 0 0 479.387 4.654 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032127242 556431723 /nfs/dbraw/zinc/43/17/23/556431723.db2.gz RKBZYOLVUDKKPJ-UHFFFAOYSA-N 0 0 489.509 4.549 40 0 JJABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000032127545 556432142 /nfs/dbraw/zinc/43/21/42/556432142.db2.gz PAHRPVSVOAIMGN-UHFFFAOYSA-N 0 0 451.470 4.551 40 0 JJABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 ZINC000032127553 556432195 /nfs/dbraw/zinc/43/21/95/556432195.db2.gz UPHORJGRUZSIFM-CMDGGOBGSA-N 0 0 476.404 4.959 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)oc2c1 ZINC000032127980 556432854 /nfs/dbraw/zinc/43/28/54/556432854.db2.gz MCMYCZGYQXZXDE-UHFFFAOYSA-N 0 0 454.895 4.826 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000032180730 556433147 /nfs/dbraw/zinc/43/31/47/556433147.db2.gz AIFIYHHBRIHVCU-SFHVURJKSA-N 0 0 487.419 4.517 40 0 JJABRN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)s2)cs1 ZINC000032603684 556450012 /nfs/dbraw/zinc/45/00/12/556450012.db2.gz JDQAURTXEKUVEC-UHFFFAOYSA-N 0 0 474.460 4.998 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(COc3ccc(Br)cc3)n2C)cc1Cl ZINC000032604339 556450470 /nfs/dbraw/zinc/45/04/70/556450470.db2.gz QKYDMAKOTSFBDQ-UHFFFAOYSA-N 0 0 497.802 4.549 40 0 JJABRN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032639728 556459256 /nfs/dbraw/zinc/45/92/56/556459256.db2.gz VJNAMERQVQBDDJ-SJLPKXTDSA-N 0 0 490.956 4.642 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032640449 556462889 /nfs/dbraw/zinc/46/28/89/556462889.db2.gz BXDIEKHHQKIKMZ-DOTOQJQBSA-N 0 0 489.819 4.517 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640541 556463054 /nfs/dbraw/zinc/46/30/54/556463054.db2.gz MERWTKSDXOQJAK-PKOBYXMFSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640795 556463730 /nfs/dbraw/zinc/46/37/30/556463730.db2.gz MWAXXYKHKZAPND-RTBURBONSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Br)cc3F)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640935 556464865 /nfs/dbraw/zinc/46/48/65/556464865.db2.gz KZEHSDYJKJMDPD-IAGOWNOFSA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Br)cc1F)N2c1cccc(Cl)c1 ZINC000032640933 556464919 /nfs/dbraw/zinc/46/49/19/556464919.db2.gz KZEHSDYJKJMDPD-SJORKVTESA-N 0 0 489.819 4.517 40 0 JJABRN Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)cc(Cl)c2)cc1C ZINC000032641113 556465236 /nfs/dbraw/zinc/46/52/36/556465236.db2.gz GWNVDKMBIXFKMI-MOPGFXCFSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1cccc(-n2c3nnc(SCc4cnn(-c5ccccc5)n4)n3c3ccccc3c2=O)c1C ZINC000032925522 556542594 /nfs/dbraw/zinc/54/25/94/556542594.db2.gz ZGGCOVRESCSCIR-UHFFFAOYSA-N 0 0 479.569 4.523 40 0 JJABRN COc1cccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289742 560031768 /nfs/dbraw/zinc/03/17/68/560031768.db2.gz ZUBSSUURFDVKAQ-RDJZCZTQSA-N 0 0 477.483 4.626 40 0 biogenic,in-vitro JJABRN COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc32)ccc1O ZINC000036641884 560082176 /nfs/dbraw/zinc/08/21/76/560082176.db2.gz LCAMLBZQFNLJDC-OFEZKSIWSA-N 0 0 460.574 4.861 40 0 biogenic,in-vitro JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000008667158 562949060 /nfs/dbraw/zinc/94/90/60/562949060.db2.gz KYUFPEQBNDTXCZ-VWLOTQADSA-N 0 0 463.603 4.523 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)c1 ZINC000008680622 562951020 /nfs/dbraw/zinc/95/10/20/562951020.db2.gz QRENCAAJMFBRCQ-VWLOTQADSA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000008685846 562952675 /nfs/dbraw/zinc/95/26/75/562952675.db2.gz DYDLUROIQZUCBA-UHFFFAOYSA-N 0 0 463.515 4.974 40 0 aggregator JJABRN O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201023 569589478 /nfs/dbraw/zinc/58/94/78/569589478.db2.gz NPTITUYMWBEBLC-FQEVSTJZSA-N 0 0 493.810 4.631 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000054201024 569589506 /nfs/dbraw/zinc/58/95/06/569589506.db2.gz NPTITUYMWBEBLC-HXUWFJFHSA-N 0 0 493.810 4.631 40 0 JJABRN CCOc1cccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057316326 569597720 /nfs/dbraw/zinc/59/77/20/569597720.db2.gz SCKWSHWRFKOWIG-UHFFFAOYSA-N 0 0 459.365 4.912 40 0 JJABRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000008691727 569592978 /nfs/dbraw/zinc/59/29/78/569592978.db2.gz LOMUUFFBUPDDFP-QFZWGZQFSA-N 0 0 457.954 4.687 40 0 JJABRN O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nsnc2c1 ZINC000057312894 569596481 /nfs/dbraw/zinc/59/64/81/569596481.db2.gz ZCSMADQNDZRGHQ-UHFFFAOYSA-N 0 0 450.389 4.856 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc(C)c1I ZINC000057315581 569597157 /nfs/dbraw/zinc/59/71/57/569597157.db2.gz CMJGEYTWXROTLL-UHFFFAOYSA-N 0 0 468.360 4.822 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000057316250 569597542 /nfs/dbraw/zinc/59/75/42/569597542.db2.gz MJYVMAATRRVRLT-UHFFFAOYSA-N 0 0 477.402 4.849 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000057316852 569598117 /nfs/dbraw/zinc/59/81/17/569598117.db2.gz BKOGAJKXEHZNAL-UHFFFAOYSA-N 0 0 488.426 4.713 40 0 JJABRN COc1cc(-c2nc3c(cc(Br)c(N)c3Br)o2)cc(OC)c1OC ZINC000057326882 569598719 /nfs/dbraw/zinc/59/87/19/569598719.db2.gz HDENMWCOFDMALW-UHFFFAOYSA-N 0 0 458.106 4.628 40 0 JJABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1Cl ZINC000057316850 569598144 /nfs/dbraw/zinc/59/81/44/569598144.db2.gz LAOLJPKDJFPEAT-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc(OCC)c1OCC ZINC000057316835 569598149 /nfs/dbraw/zinc/59/81/49/569598149.db2.gz WECWMUPTAGJFRH-UHFFFAOYSA-N 0 0 497.636 4.830 40 0 JJABRN CCOc1ccc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1Br ZINC000057316933 569598152 /nfs/dbraw/zinc/59/81/52/569598152.db2.gz ASOKYHKCLJXWIY-UHFFFAOYSA-N 0 0 472.368 4.829 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=O)c4cc(Br)cc(C)c4OC)c3)nn12 ZINC000057316945 569598240 /nfs/dbraw/zinc/59/82/40/569598240.db2.gz JIHVLBYQTZFRJN-UHFFFAOYSA-N 0 0 472.368 4.747 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)CC2)cc1 ZINC000057317202 569598456 /nfs/dbraw/zinc/59/84/56/569598456.db2.gz LPZXFXISPIGBRW-UHFFFAOYSA-N 0 0 487.600 4.799 40 0 JJABRN O=C(c1ccc(Br)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317249 569598482 /nfs/dbraw/zinc/59/84/82/569598482.db2.gz OZQQBEMPTRCVBK-UHFFFAOYSA-N 0 0 451.645 4.621 40 0 JJABRN COCCn1cc(-c2csc(NC(=O)[C@@H](C)Cn3nc(C)c(C)c3C)n2)c2ccccc21 ZINC000057775341 569601882 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SGVHOVJARWKTRQ-UHFFFAOYSA-N 0 0 463.331 4.966 40 0 JJABRN O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000059559110 569606731 /nfs/dbraw/zinc/60/67/31/569606731.db2.gz VDEXMSJLSYIIDO-XNTDXEJSSA-N 0 0 474.605 4.674 40 0 JJABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000059559125 569606762 /nfs/dbraw/zinc/60/67/62/569606762.db2.gz BKKRMCYBIXNVMU-UHFFFAOYSA-N 0 0 476.621 4.837 40 0 JJABRN COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059559003 569606806 /nfs/dbraw/zinc/60/68/06/569606806.db2.gz IZKKRRINYMJOAG-UHFFFAOYSA-N 0 0 495.048 4.798 40 0 JJABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059678106 569607423 /nfs/dbraw/zinc/60/74/23/569607423.db2.gz ZOJSTFDVXVBKDU-XQNWCSQWSA-N 0 0 494.616 4.726 40 0 JJABRN CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)o1 ZINC000059678098 569607462 /nfs/dbraw/zinc/60/74/62/569607462.db2.gz BOXGDRVMHHJNJD-YVVITCHPSA-N 0 0 487.650 4.819 40 0 JJABRN Cc1ccc(C)c(CSc2nnc3n2c2cc(C(=O)NCC(C)C)ccc2c(=O)n3CC(C)C)c1 ZINC000032986265 569608793 /nfs/dbraw/zinc/60/87/93/569608793.db2.gz BJGBQTSYDWRNFZ-UHFFFAOYSA-N 0 0 491.661 4.995 40 0 JJABRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccccc2)c1 ZINC000033367750 569625156 /nfs/dbraw/zinc/62/51/56/569625156.db2.gz JZMLIICEYKEOAL-UHFFFAOYSA-N 0 0 496.629 4.965 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)o1 ZINC000033366230 569625157 /nfs/dbraw/zinc/62/51/57/569625157.db2.gz AQKYXVFZIJLFBG-NDENLUEZSA-N 0 0 480.904 4.700 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4I)c3)nn12 ZINC000033379441 569625356 /nfs/dbraw/zinc/62/53/56/569625356.db2.gz WLSSCZBZBJWCNM-UHFFFAOYSA-N 0 0 489.342 4.581 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000033396106 569625615 /nfs/dbraw/zinc/62/56/15/569625615.db2.gz VRRBMWXEXBTISB-UHFFFAOYSA-N 0 0 480.464 4.532 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000033392574 569625640 /nfs/dbraw/zinc/62/56/40/569625640.db2.gz ZQNHPZXRHBCRMZ-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000033489534 569626941 /nfs/dbraw/zinc/62/69/41/569626941.db2.gz WHGGUDPFBGRZDI-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)Nc2ccccc2C)cc1 ZINC000033538033 569627507 /nfs/dbraw/zinc/62/75/07/569627507.db2.gz YUHAOEGHCKYRKG-HSZRJFAPSA-N 0 0 463.559 4.780 40 0 JJABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000033559527 569627784 /nfs/dbraw/zinc/62/77/84/569627784.db2.gz QLZLSYHARVQYHU-UHFFFAOYSA-N 0 0 479.375 4.818 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033603978 569628663 /nfs/dbraw/zinc/62/86/63/569628663.db2.gz XWSYTDINYGCATE-GFCCVEGCSA-N 0 0 496.395 4.966 40 0 JJABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)o2)cc1 ZINC000033630319 569629223 /nfs/dbraw/zinc/62/92/23/569629223.db2.gz UCWKHLWPRWEXIW-UDWIEESQSA-N 0 0 481.482 4.739 40 0 JJABRN CCOc1c(Br)cc(C(=O)Nc2cccc(I)c2)cc1OC ZINC000033644486 569629447 /nfs/dbraw/zinc/62/94/47/569629447.db2.gz UFZIGCIEBUYQLF-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1C ZINC000033644274 569629454 /nfs/dbraw/zinc/62/94/54/569629454.db2.gz CTODFJNHMGKCEX-UHFFFAOYSA-N 0 0 480.586 4.835 40 0 JJABRN O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000033653995 569629789 /nfs/dbraw/zinc/62/97/89/569629789.db2.gz AZJIAHMHYNWVGA-NVNXTCNLSA-N 0 0 473.097 4.691 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)o1 ZINC000033664371 569630211 /nfs/dbraw/zinc/63/02/11/569630211.db2.gz ORFDQPVJWMHXCW-NDENLUEZSA-N 0 0 480.904 4.700 40 0 JJABRN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000033680388 569630635 /nfs/dbraw/zinc/63/06/35/569630635.db2.gz HXMQXFFBIFSMOO-KRWDZBQOSA-N 0 0 469.586 4.584 40 0 JJABRN Cc1nc(SCC(=O)Nc2cc(Br)ccc2Br)nc2c1CCC2 ZINC000033680463 569630681 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462.627 4.928 40 0 JJABRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1Cl ZINC000138552893 569865944 /nfs/dbraw/zinc/86/59/44/569865944.db2.gz CXUQIHXHWFFCDW-UHFFFAOYSA-N 0 0 488.165 4.965 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000138573157 569865956 /nfs/dbraw/zinc/86/59/56/569865956.db2.gz VVQVHJZIOXLCQA-UHFFFAOYSA-N 0 0 488.968 4.896 40 0 JJABRN Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1Cl ZINC000138717883 569866265 /nfs/dbraw/zinc/86/62/65/569866265.db2.gz MTTOVSLKCOPYOV-GFCCVEGCSA-N 0 0 489.277 4.855 40 0 JJABRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccccc4)CC3=O)cc2)cc1C ZINC000138795789 569866442 /nfs/dbraw/zinc/86/64/42/569866442.db2.gz BBXPNGFSHSZRSP-HXUWFJFHSA-N 0 0 458.514 4.631 40 0 JJABRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccccc4)CC3=O)cc2)cc1C ZINC000138795921 569866456 /nfs/dbraw/zinc/86/64/56/569866456.db2.gz BBXPNGFSHSZRSP-FQEVSTJZSA-N 0 0 458.514 4.631 40 0 JJABRN 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569874268 /nfs/dbraw/zinc/87/42/68/569874268.db2.gz ZILIWIDIORHHJJ-CAOOACKPSA-N 0 0 452.315 4.782 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccccc1 ZINC000205801982 569874392 /nfs/dbraw/zinc/87/43/92/569874392.db2.gz CLDBKYLLTNXHRU-XQNSMLJCSA-N 0 0 480.586 4.713 40 0 JJABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(I)cc1 ZINC000205820381 569874465 /nfs/dbraw/zinc/87/44/65/569874465.db2.gz YMSDMKNNNAQWKC-OVCLIPMQSA-N 0 0 471.703 4.887 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O)N1CCCC1 ZINC000205871499 569874485 /nfs/dbraw/zinc/87/44/85/569874485.db2.gz RMKVUGDMPCTEFH-MHWRWJLKSA-N 0 0 451.331 4.912 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000210816274 569876057 /nfs/dbraw/zinc/87/60/57/569876057.db2.gz GIPHAIAWKAYVNT-GZTJUZNOSA-N 0 0 461.337 4.523 40 0 JJABRN CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O ZINC000214176140 569876392 /nfs/dbraw/zinc/87/63/92/569876392.db2.gz UWNHNLCZYYUOSH-WOJGMQOQSA-N 0 0 476.348 4.628 40 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ZINC000222534801 569885266 /nfs/dbraw/zinc/88/52/66/569885266.db2.gz BDPDDFLABGJLNC-OFVILXPXSA-N 0 0 454.611 4.885 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1C(C)(C)C ZINC000222538392 569885269 /nfs/dbraw/zinc/88/52/69/569885269.db2.gz LXOLLVJWAKKMTR-RUZDIDTESA-N 0 0 476.592 4.888 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222540511 569885403 /nfs/dbraw/zinc/88/54/03/569885403.db2.gz ZJMZGJKVSTXZCL-MBSDFSHPSA-N 0 0 461.002 4.758 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222547276 569885565 /nfs/dbraw/zinc/88/55/65/569885565.db2.gz PAWNYFDZUWOSRS-MHZLTWQESA-N 0 0 476.592 4.925 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222551215 569885677 /nfs/dbraw/zinc/88/56/77/569885677.db2.gz QIVLCNGVCWMKFE-AREMUKBSSA-N 0 0 488.628 4.795 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222557549 569885818 /nfs/dbraw/zinc/88/58/18/569885818.db2.gz MWTMIFDKCQUKTL-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222575002 569886103 /nfs/dbraw/zinc/88/61/03/569886103.db2.gz XBJGURWJQDQVQH-SANMLTNESA-N 0 0 462.565 4.679 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222578464 569886173 /nfs/dbraw/zinc/88/61/73/569886173.db2.gz FTRUILKGHQMSHJ-DEOSSOPVSA-N 0 0 482.983 4.861 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000222578235 569886191 /nfs/dbraw/zinc/88/61/91/569886191.db2.gz ZMXMSQFILWEPJR-AREMUKBSSA-N 0 0 470.544 4.744 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222578711 569886225 /nfs/dbraw/zinc/88/62/25/569886225.db2.gz CSAZQDYWZIMZOU-XMMPIXPASA-N 0 0 468.956 4.552 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222586204 569886384 /nfs/dbraw/zinc/88/63/84/569886384.db2.gz GXJUSFTWIJYHTP-UHFFFAOYSA-N 0 0 496.972 4.736 40 0 JJABRN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1O ZINC000222589773 569886414 /nfs/dbraw/zinc/88/64/14/569886414.db2.gz LBZKSLJSEJVOOC-OZUAJXCXSA-N 0 0 454.777 4.801 40 0 JJABRN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1O ZINC000222589909 569886475 /nfs/dbraw/zinc/88/64/75/569886475.db2.gz LBZKSLJSEJVOOC-BNGAFQBXSA-N 0 0 454.777 4.801 40 0 JJABRN CCOc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222591577 569886514 /nfs/dbraw/zinc/88/65/14/569886514.db2.gz GMKDWVKNLUMMMP-UHFFFAOYSA-N 0 0 484.593 4.557 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C ZINC000222592279 569886521 /nfs/dbraw/zinc/88/65/21/569886521.db2.gz HQMQUCRPNRUYRN-QHCPKHFHSA-N 0 0 495.417 4.522 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000222592848 569886562 /nfs/dbraw/zinc/88/65/62/569886562.db2.gz FFPWVHMABAEBEG-UHFFFAOYSA-N 0 0 496.972 4.925 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c2ccccc12 ZINC000222595270 569886594 /nfs/dbraw/zinc/88/65/94/569886594.db2.gz QSZARDQQSXVPDY-UHFFFAOYSA-N 0 0 476.554 4.842 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222600030 569886641 /nfs/dbraw/zinc/88/66/41/569886641.db2.gz KSZZDEQDJYFCNQ-PXDATVDWSA-N 0 0 454.611 4.619 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc4ccccc43)CC2)cc1Cl ZINC000222600481 569886731 /nfs/dbraw/zinc/88/67/31/569886731.db2.gz BKNXYWIEHBWXSE-UHFFFAOYSA-N 0 0 487.021 4.609 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222605418 569886832 /nfs/dbraw/zinc/88/68/32/569886832.db2.gz JDTPGYCPYVYTEZ-LJQANCHMSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222634808 569887453 /nfs/dbraw/zinc/88/74/53/569887453.db2.gz PVVLEDKTUQDUIH-GOSISDBHSA-N 0 0 483.373 4.620 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc32)cc1)c1ccccc1 ZINC000222642603 569887607 /nfs/dbraw/zinc/88/76/07/569887607.db2.gz XLLMGEFENMPAOY-FQEVSTJZSA-N 0 0 474.582 4.575 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1C ZINC000222642612 569887627 /nfs/dbraw/zinc/88/76/27/569887627.db2.gz LJOXQZHBYQJZLP-XMMPIXPASA-N 0 0 479.418 4.686 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc(C)c1Br ZINC000222661242 569887950 /nfs/dbraw/zinc/88/79/50/569887950.db2.gz XAFHLQIUTDERBX-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222663175 569888001 /nfs/dbraw/zinc/88/80/01/569888001.db2.gz ZAIXJQHHRYFKAV-OAHLLOKOSA-N 0 0 481.818 4.813 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC)cc1OCC ZINC000222674038 569888204 /nfs/dbraw/zinc/88/82/04/569888204.db2.gz SATJUDLQENKLKF-INIZCTEOSA-N 0 0 481.420 4.887 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000222682049 569888385 /nfs/dbraw/zinc/88/83/85/569888385.db2.gz RHFGTANLBSNVAX-LJQANCHMSA-N 0 0 480.586 4.675 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C(C)(C)C ZINC000222680732 569888413 /nfs/dbraw/zinc/88/84/13/569888413.db2.gz VBZDSRNGOMEMIC-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1C ZINC000222682098 569888423 /nfs/dbraw/zinc/88/84/23/569888423.db2.gz CLDPICHOBZVUDI-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)cc1C ZINC000222681771 569888435 /nfs/dbraw/zinc/88/84/35/569888435.db2.gz CTUBCPFZNILPDG-LJQANCHMSA-N 0 0 480.586 4.675 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222683887 569888480 /nfs/dbraw/zinc/88/84/80/569888480.db2.gz LVTOPDMPQSRTGR-LLVKDONJSA-N 0 0 464.176 4.842 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)c1 ZINC000222686899 569888517 /nfs/dbraw/zinc/88/85/17/569888517.db2.gz FJHITXVKSSNWGT-UHFFFAOYSA-N 0 0 474.582 4.953 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222691863 569888675 /nfs/dbraw/zinc/88/86/75/569888675.db2.gz XXFDGKXSLZVQBH-HSZRJFAPSA-N 0 0 483.381 4.517 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1 ZINC000222690044 569888684 /nfs/dbraw/zinc/88/86/84/569888684.db2.gz VLSKAOQSWUQZTI-DEOSSOPVSA-N 0 0 495.417 4.522 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)s2)cc1 ZINC000222699715 569888906 /nfs/dbraw/zinc/88/89/06/569888906.db2.gz FILNOYITBGCRBZ-UHFFFAOYSA-N 0 0 491.038 4.984 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(C)(=O)=O ZINC000222705205 569889097 /nfs/dbraw/zinc/88/90/97/569889097.db2.gz GVGXZPSRTCQCNZ-UHFFFAOYSA-N 0 0 491.613 4.649 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1cccc2ccccc21 ZINC000222707452 569889177 /nfs/dbraw/zinc/88/91/77/569889177.db2.gz ZMOMHBNLRWZFHT-UHFFFAOYSA-N 0 0 486.593 4.677 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000222728303 569889645 /nfs/dbraw/zinc/88/96/45/569889645.db2.gz VLRCPBKYWJLLPG-INIZCTEOSA-N 0 0 490.503 4.863 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222728282 569889683 /nfs/dbraw/zinc/88/96/83/569889683.db2.gz PGWMBVQCFXHSNU-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000222729720 569889706 /nfs/dbraw/zinc/88/97/06/569889706.db2.gz OENRJUUGXAUOOR-IBGZPJMESA-N 0 0 480.992 4.633 40 0 JJABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222730598 569889721 /nfs/dbraw/zinc/88/97/21/569889721.db2.gz OKPRMNIYLDGPPR-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN CN(C(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000222730517 569889738 /nfs/dbraw/zinc/88/97/38/569889738.db2.gz GLQYLBIIEKFTFS-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN CC(=O)c1cccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000222735490 569889850 /nfs/dbraw/zinc/88/98/50/569889850.db2.gz XULHLGZSAJAKCD-UHFFFAOYSA-N 0 0 450.560 4.725 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)cc1Cl ZINC000222738124 569889903 /nfs/dbraw/zinc/88/99/03/569889903.db2.gz IPOFRXKKBBXQMX-UHFFFAOYSA-N 0 0 476.957 4.626 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1Cl ZINC000222740804 569890039 /nfs/dbraw/zinc/89/00/39/569890039.db2.gz WFBPMBASHYIMOM-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 ZINC000222741837 569890096 /nfs/dbraw/zinc/89/00/96/569890096.db2.gz RSSACWXRQGFSRH-HSZRJFAPSA-N 0 0 471.384 4.758 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222744414 569890129 /nfs/dbraw/zinc/89/01/29/569890129.db2.gz GVSLLBRZCGBBNI-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN COc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000222752226 569890285 /nfs/dbraw/zinc/89/02/85/569890285.db2.gz LBQDHSHDPRCBKO-AMCKHAKVSA-N 0 0 460.530 4.786 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222753394 569890363 /nfs/dbraw/zinc/89/03/63/569890363.db2.gz UWUDZWHPLHLTHO-RUZDIDTESA-N 0 0 492.591 4.625 40 0 JJABRN COc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222757084 569890395 /nfs/dbraw/zinc/89/03/95/569890395.db2.gz LVIKJCKPFAPTNM-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222787806 569891057 /nfs/dbraw/zinc/89/10/57/569891057.db2.gz UBTOKACQLWMSPE-JOCHJYFZSA-N 0 0 497.419 4.721 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222786744 569891072 /nfs/dbraw/zinc/89/10/72/569891072.db2.gz RZYKHSMYUAGLJK-QHCPKHFHSA-N 0 0 489.374 4.897 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)N1CCCCC1 ZINC000222791534 569891173 /nfs/dbraw/zinc/89/11/73/569891173.db2.gz AZOUAEVXXMPWHW-UHFFFAOYSA-N 0 0 454.617 4.666 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222803508 569891524 /nfs/dbraw/zinc/89/15/24/569891524.db2.gz KIEKBHLFQHANGZ-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2)cc1 ZINC000222806501 569891542 /nfs/dbraw/zinc/89/15/42/569891542.db2.gz SXTFZEIGQXDEHP-IBGZPJMESA-N 0 0 480.586 4.551 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)c(C)c2)cc1 ZINC000222807169 569891546 /nfs/dbraw/zinc/89/15/46/569891546.db2.gz YZFBLDXLHULUCA-UHFFFAOYSA-N 0 0 497.598 4.822 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1OC ZINC000222807740 569891632 /nfs/dbraw/zinc/89/16/32/569891632.db2.gz XYFMNYCVXIRDIZ-FQEVSTJZSA-N 0 0 495.019 4.676 40 0 JJABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222829568 569892079 /nfs/dbraw/zinc/89/20/79/569892079.db2.gz XJPFKQFYNVJSGR-QFIPXVFZSA-N 0 0 459.428 4.961 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1C ZINC000222830968 569892121 /nfs/dbraw/zinc/89/21/21/569892121.db2.gz AEPIKECWKWMTPH-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000222839611 569892330 /nfs/dbraw/zinc/89/23/30/569892330.db2.gz CLWSHIBFBOQYOS-VWLOTQADSA-N 0 0 497.060 4.968 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222839224 569892352 /nfs/dbraw/zinc/89/23/52/569892352.db2.gz YQNGOMYEQYIEJY-FQEVSTJZSA-N 0 0 464.993 4.667 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSc1ccccc1 ZINC000222840205 569892408 /nfs/dbraw/zinc/89/24/08/569892408.db2.gz HILPSKKVKMFUFR-VWLOTQADSA-N 0 0 462.615 4.564 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000222848415 569892575 /nfs/dbraw/zinc/89/25/75/569892575.db2.gz NMGATCSFOFBOOF-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000222847183 569892598 /nfs/dbraw/zinc/89/25/98/569892598.db2.gz YNCQXSGGABDEJK-UHFFFAOYSA-N 0 0 474.582 4.501 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222851732 569892709 /nfs/dbraw/zinc/89/27/09/569892709.db2.gz BOIBWJSQAKEDPI-DEOSSOPVSA-N 0 0 456.652 4.877 40 0 JJABRN Cc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000222859710 569892928 /nfs/dbraw/zinc/89/29/28/569892928.db2.gz OJUJEMPHMZOKNK-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222870195 569893183 /nfs/dbraw/zinc/89/31/83/569893183.db2.gz PYIARTHJAHPOJA-AREMUKBSSA-N 0 0 495.019 4.894 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc4sncc4c3)cc2)cc1 ZINC000222874727 569893218 /nfs/dbraw/zinc/89/32/18/569893218.db2.gz PJOLZQQJELEXTC-UHFFFAOYSA-N 0 0 451.573 4.977 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc4ccccc43)Oc3ccc(C)cc32)cc1 ZINC000222874855 569893232 /nfs/dbraw/zinc/89/32/32/569893232.db2.gz HXVITLXFDFWZMH-MHZLTWQESA-N 0 0 486.593 4.729 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222885382 569893548 /nfs/dbraw/zinc/89/35/48/569893548.db2.gz RTYFZTJGZCCYKG-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)s2)cc1 ZINC000222891291 569893738 /nfs/dbraw/zinc/89/37/38/569893738.db2.gz IWHVLBRXYKCVIX-UHFFFAOYSA-N 0 0 470.601 4.652 40 0 JJABRN O=c1sc2cc(S(=O)(=O)NCc3cccc4ccccc43)ccc2n1Cc1ccccc1 ZINC000222899633 569893894 /nfs/dbraw/zinc/89/38/94/569893894.db2.gz KINOJABLDQRSID-UHFFFAOYSA-N 0 0 460.580 4.743 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222899491 569893908 /nfs/dbraw/zinc/89/39/08/569893908.db2.gz NXNTUMPAGURBEV-FQEVSTJZSA-N 0 0 451.394 4.747 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C ZINC000222904933 569893979 /nfs/dbraw/zinc/89/39/79/569893979.db2.gz PCSFLKOMLALCMD-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222912002 569894180 /nfs/dbraw/zinc/89/41/80/569894180.db2.gz HZYHYZRGZROCHM-LJQANCHMSA-N 0 0 466.578 4.777 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222916847 569894328 /nfs/dbraw/zinc/89/43/28/569894328.db2.gz JYFMCWOYPHSKAE-MRXNPFEDSA-N 0 0 485.418 4.695 40 0 JJABRN O=C(NCc1nc(-c2ccccc2Cl)no1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222916614 569894342 /nfs/dbraw/zinc/89/43/42/569894342.db2.gz LNWZSKHFMADEAS-UYRXBGFRSA-N 0 0 464.934 4.539 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(CC)cc1Br ZINC000222922258 569894439 /nfs/dbraw/zinc/89/44/39/569894439.db2.gz VAAYIMBFCZPJMW-OAHLLOKOSA-N 0 0 481.818 4.597 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921970 569894446 /nfs/dbraw/zinc/89/44/46/569894446.db2.gz PAUKIYSJZHZFQQ-CQSZACIVSA-N 0 0 455.407 4.516 40 0 JJABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222938167 569894910 /nfs/dbraw/zinc/89/49/10/569894910.db2.gz PXNDAZMOVYOJCY-XMMPIXPASA-N 0 0 468.638 4.791 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCCCC1 ZINC000222940069 569895004 /nfs/dbraw/zinc/89/50/04/569895004.db2.gz VHRZUSNJZWSNKQ-IBGZPJMESA-N 0 0 470.635 4.630 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(OC)c(C)c1 ZINC000222943691 569895146 /nfs/dbraw/zinc/89/51/46/569895146.db2.gz QLJUMSXDSKQPJF-HSZRJFAPSA-N 0 0 458.624 4.758 40 0 JJABRN C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)CCCC2 ZINC000222954532 569895356 /nfs/dbraw/zinc/89/53/56/569895356.db2.gz XBSQORGYFGSGIL-KRWDZBQOSA-N 0 0 454.617 4.943 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222955425 569895402 /nfs/dbraw/zinc/89/54/02/569895402.db2.gz SGQROJJIDQXPGA-FQEVSTJZSA-N 0 0 480.992 4.504 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 ZINC000222958579 569895430 /nfs/dbraw/zinc/89/54/30/569895430.db2.gz BRQNGISXQOYAOP-NRFANRHFSA-N 0 0 494.632 4.679 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222964765 569895589 /nfs/dbraw/zinc/89/55/89/569895589.db2.gz AEKUKZVKPGNTCR-GOSISDBHSA-N 0 0 475.054 4.638 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Br)cc1 ZINC000222969666 569895762 /nfs/dbraw/zinc/89/57/62/569895762.db2.gz JQTYVBBIYRSJKP-FQEVSTJZSA-N 0 0 463.441 4.544 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222979084 569895966 /nfs/dbraw/zinc/89/59/66/569895966.db2.gz YFFNTPXYDYJSIN-GOSISDBHSA-N 0 0 472.676 4.565 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222984911 569896159 /nfs/dbraw/zinc/89/61/59/569896159.db2.gz KQHFMTCLLVFJRK-HUUCEWRRSA-N 0 0 469.434 4.904 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1C ZINC000222986353 569896211 /nfs/dbraw/zinc/89/62/11/569896211.db2.gz XCILYDQRXUMCCD-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSCc1ccccc1 ZINC000223022000 569897020 /nfs/dbraw/zinc/89/70/20/569897020.db2.gz MCMDYKONDPPNDI-QGZVFWFLSA-N 0 0 463.441 4.626 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000223024611 569897082 /nfs/dbraw/zinc/89/70/82/569897082.db2.gz WUVTUECXHQUGRS-IBGZPJMESA-N 0 0 497.488 4.976 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223026691 569897108 /nfs/dbraw/zinc/89/71/08/569897108.db2.gz KTEPZRMEFSHJIR-HXUWFJFHSA-N 0 0 456.652 4.877 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223023434 569897093 /nfs/dbraw/zinc/89/70/93/569897093.db2.gz WZDVNCKCSUCTIC-HHHXNRCGSA-N 0 0 492.591 4.625 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223025166 569897114 /nfs/dbraw/zinc/89/71/14/569897114.db2.gz IBXVILIUPPBPPX-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223031170 569897296 /nfs/dbraw/zinc/89/72/96/569897296.db2.gz BXVBUFPHCPIQPG-KRWDZBQOSA-N 0 0 475.427 4.679 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223035725 569897484 /nfs/dbraw/zinc/89/74/84/569897484.db2.gz ACIOHYKFFIQGJR-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223038856 569897532 /nfs/dbraw/zinc/89/75/32/569897532.db2.gz MDKLSRAPANCOHP-NRFANRHFSA-N 0 0 469.434 4.906 40 0 JJABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000223044443 569897612 /nfs/dbraw/zinc/89/76/12/569897612.db2.gz LRTQYWUWILRIKY-LBPRGKRZSA-N 0 0 485.418 4.754 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223046549 569897696 /nfs/dbraw/zinc/89/76/96/569897696.db2.gz HMKBLSCMUFALJO-NRFANRHFSA-N 0 0 475.427 4.813 40 0 JJABRN O=C(Nc1nnc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000223051174 569897771 /nfs/dbraw/zinc/89/77/71/569897771.db2.gz FAYWUMHUHYQDFI-UHFFFAOYSA-N 0 0 499.017 4.835 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223051371 569897785 /nfs/dbraw/zinc/89/77/85/569897785.db2.gz UYQSLCFTFSEKDL-HXUWFJFHSA-N 0 0 469.434 4.906 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1OC ZINC000223059844 569898079 /nfs/dbraw/zinc/89/80/79/569898079.db2.gz NULZYCMHIGZYEY-SANMLTNESA-N 0 0 488.628 4.659 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223061359 569898157 /nfs/dbraw/zinc/89/81/57/569898157.db2.gz UBQMVDMZVLKYQD-MOPGFXCFSA-N 0 0 461.002 4.840 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223062844 569898196 /nfs/dbraw/zinc/89/81/96/569898196.db2.gz QNIDLALPDCJFSL-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223062032 569898202 /nfs/dbraw/zinc/89/82/02/569898202.db2.gz MLPHJKSSWSYRDJ-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223064264 569898280 /nfs/dbraw/zinc/89/82/80/569898280.db2.gz PSZLBGQDTIFQFC-MUUNZHRXSA-N 0 0 463.581 4.581 40 0 JJABRN CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223064862 569898296 /nfs/dbraw/zinc/89/82/96/569898296.db2.gz QZGFWBFYMHCSMP-VGSWGCGISA-N 0 0 463.043 4.949 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223067928 569898339 /nfs/dbraw/zinc/89/83/39/569898339.db2.gz DFYNCWBGTLJSTN-WUFINQPMSA-N 0 0 470.613 4.555 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223069290 569898446 /nfs/dbraw/zinc/89/84/46/569898446.db2.gz KHZARLIUUDMVMR-MRXNPFEDSA-N 0 0 481.818 4.652 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223070184 569898479 /nfs/dbraw/zinc/89/84/79/569898479.db2.gz KTQXCWZMKQXRHV-KRWDZBQOSA-N 0 0 461.400 4.505 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223070920 569898525 /nfs/dbraw/zinc/89/85/25/569898525.db2.gz WKZJTRXPJODZSS-RUZDIDTESA-N 0 0 484.662 4.876 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223070517 569898547 /nfs/dbraw/zinc/89/85/47/569898547.db2.gz UHLIJFVEFTXJRN-XMMPIXPASA-N 0 0 470.635 4.630 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223071763 569898605 /nfs/dbraw/zinc/89/86/05/569898605.db2.gz YVRYOMPSAWVYEP-SVBPBHIXSA-N 0 0 491.031 4.818 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223076883 569898723 /nfs/dbraw/zinc/89/87/23/569898723.db2.gz XQMCUQQQBLLUHD-NDEPHWFRSA-N 0 0 488.628 4.637 40 0 JJABRN COc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223080663 569898865 /nfs/dbraw/zinc/89/88/65/569898865.db2.gz BESRCGAMHPAILG-GOSISDBHSA-N 0 0 461.002 4.840 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223082137 569898888 /nfs/dbraw/zinc/89/88/88/569898888.db2.gz 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ZINC000223456512 569911918 /nfs/dbraw/zinc/91/19/18/569911918.db2.gz CJOOHHYACGLKQI-AMCKHAKVSA-N 0 0 460.530 4.786 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1C ZINC000223460275 569912060 /nfs/dbraw/zinc/91/20/60/569912060.db2.gz SPVMGFYECWIQIQ-IBGZPJMESA-N 0 0 463.043 4.684 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccc(C)cc2)cc1 ZINC000223462288 569912094 /nfs/dbraw/zinc/91/20/94/569912094.db2.gz FMAZZVFANNKXPP-UHFFFAOYSA-N 0 0 492.519 4.534 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223470633 569912366 /nfs/dbraw/zinc/91/23/66/569912366.db2.gz OPYLHXUKWCRUSQ-UHFFFAOYSA-N 0 0 494.657 4.991 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223471312 569912407 /nfs/dbraw/zinc/91/24/07/569912407.db2.gz FWTFOIHRVSWXAK-SFHVURJKSA-N 0 0 463.043 4.915 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223471260 569912419 /nfs/dbraw/zinc/91/24/19/569912419.db2.gz FWTFOIHRVSWXAK-GOSISDBHSA-N 0 0 463.043 4.915 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223475418 569912559 /nfs/dbraw/zinc/91/25/59/569912559.db2.gz KEEIRMOBWFFYOH-UHFFFAOYSA-N 0 0 493.629 4.662 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223475620 569912573 /nfs/dbraw/zinc/91/25/73/569912573.db2.gz LHNSGJKGTWLTDV-UHFFFAOYSA-N 0 0 466.603 4.509 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223475708 569912577 /nfs/dbraw/zinc/91/25/77/569912577.db2.gz QJLFQJHOWHIQCS-UHFFFAOYSA-N 0 0 454.567 4.503 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223482362 569912855 /nfs/dbraw/zinc/91/28/55/569912855.db2.gz HXCMUBRYCAZIKT-DNQXCXABSA-N 0 0 470.554 4.696 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223482976 569912891 /nfs/dbraw/zinc/91/28/91/569912891.db2.gz HBYFPQLAXPBRQC-AREMUKBSSA-N 0 0 462.521 4.741 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223482776 569912907 /nfs/dbraw/zinc/91/29/07/569912907.db2.gz LNVXBPSOITXSOH-PGRDOPGGSA-N 0 0 451.032 4.996 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1C ZINC000223488145 569913186 /nfs/dbraw/zinc/91/31/86/569913186.db2.gz WXQVCLQOJLZGFD-PZJWPPBQSA-N 0 0 463.043 4.684 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223491709 569913292 /nfs/dbraw/zinc/91/32/92/569913292.db2.gz UHDKMFUPNKGVHR-NDEPHWFRSA-N 0 0 467.544 4.850 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223492006 569913318 /nfs/dbraw/zinc/91/33/18/569913318.db2.gz AAFYPGCOEASIEM-NDEPHWFRSA-N 0 0 467.544 4.850 40 0 JJABRN C[C@H](CNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000223495469 569913462 /nfs/dbraw/zinc/91/34/62/569913462.db2.gz PPWSNQUQDYWPLO-GOSISDBHSA-N 0 0 476.520 4.821 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223496485 569913540 /nfs/dbraw/zinc/91/35/40/569913540.db2.gz TWDKKHRAZZHYRS-XMMPIXPASA-N 0 0 468.956 4.634 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223504585 569913833 /nfs/dbraw/zinc/91/38/33/569913833.db2.gz BZSKKGHETJZAEJ-HHHXNRCGSA-N 0 0 472.516 4.884 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000223505539 569913881 /nfs/dbraw/zinc/91/38/81/569913881.db2.gz KRDLZTVVSBLPME-KQWNVCNZSA-N 0 0 456.571 4.638 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000223511466 569914049 /nfs/dbraw/zinc/91/40/49/569914049.db2.gz OWYGJGNYTSWHRG-UHFFFAOYSA-N 0 0 474.582 4.539 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCOc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000223512379 569914103 /nfs/dbraw/zinc/91/41/03/569914103.db2.gz WVDFYFVTHSIMCI-UHFFFAOYSA-N 0 0 488.609 4.847 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1 ZINC000223512133 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ZINC000223761129 569922442 /nfs/dbraw/zinc/92/24/42/569922442.db2.gz QXXQAINQVFAPFP-MHZLTWQESA-N 0 0 458.602 4.712 40 0 JJABRN COc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000223762422 569922468 /nfs/dbraw/zinc/92/24/68/569922468.db2.gz JDJYKDLWTGNNFD-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000223769277 569922720 /nfs/dbraw/zinc/92/27/20/569922720.db2.gz CMUVPIBHKYEOCQ-MHZLTWQESA-N 0 0 458.602 4.631 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2cccc(C)c2C)cc1 ZINC000223770491 569922774 /nfs/dbraw/zinc/92/27/74/569922774.db2.gz FMGARBWVENXCRH-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223777398 569922996 /nfs/dbraw/zinc/92/29/96/569922996.db2.gz JUOGCUJWANVCCK-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223781837 569923120 /nfs/dbraw/zinc/92/31/20/569923120.db2.gz FJPVXIQEZDAJLY-LOSJGSFVSA-N 0 0 484.581 4.845 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)cc1 ZINC000223782243 569923150 /nfs/dbraw/zinc/92/31/50/569923150.db2.gz NGCLXFKLVISOQT-JWQCQUIFSA-N 0 0 484.581 4.845 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1 ZINC000223781971 569923151 /nfs/dbraw/zinc/92/31/51/569923151.db2.gz KTWQGWILTKFDGG-JWQCQUIFSA-N 0 0 484.581 4.845 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223790851 569923423 /nfs/dbraw/zinc/92/34/23/569923423.db2.gz CHDIHHHTGUQKMR-NRFANRHFSA-N 0 0 458.986 4.725 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1C ZINC000223792259 569923503 /nfs/dbraw/zinc/92/35/03/569923503.db2.gz YUVOADGIIGTOIP-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)S(C)(=O)=O)cc1C ZINC000223792329 569923508 /nfs/dbraw/zinc/92/35/08/569923508.db2.gz DDZNOZNPYCZNBB-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN Cc1cccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000223798294 569923700 /nfs/dbraw/zinc/92/37/00/569923700.db2.gz DZNUDMPJRUJCKO-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805359 569923882 /nfs/dbraw/zinc/92/38/82/569923882.db2.gz WZDZVHAYASWJFP-SFHVURJKSA-N 0 0 473.411 4.612 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223808551 569924022 /nfs/dbraw/zinc/92/40/22/569924022.db2.gz IYTUSPLIAIOEEA-QFIPXVFZSA-N 0 0 473.013 4.768 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811943 569924040 /nfs/dbraw/zinc/92/40/40/569924040.db2.gz WNOHBKGLKYXXCX-LJQANCHMSA-N 0 0 487.438 4.921 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811741 569924047 /nfs/dbraw/zinc/92/40/47/569924047.db2.gz MNAFZOFWTQPLFS-OAQYLSRUSA-N 0 0 452.595 4.639 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223824870 569924393 /nfs/dbraw/zinc/92/43/93/569924393.db2.gz LCIDRWRWISMGCT-UHFFFAOYSA-N 0 0 487.449 4.858 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223825321 569924396 /nfs/dbraw/zinc/92/43/96/569924396.db2.gz BNZFQTFYXMUVRD-LJQANCHMSA-N 0 0 465.015 4.613 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000223825998 569924427 /nfs/dbraw/zinc/92/44/27/569924427.db2.gz IDIXHPJAFXPQIX-UHFFFAOYSA-N 0 0 456.995 4.587 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000223825456 569924432 /nfs/dbraw/zinc/92/44/32/569924432.db2.gz DWEOOBCPDOMIFM-UHFFFAOYSA-N 0 0 484.593 4.724 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223829382 569924591 /nfs/dbraw/zinc/92/45/91/569924591.db2.gz IZYWIAAMNZHOIU-INIZCTEOSA-N 0 0 481.818 4.733 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)c1C ZINC000223842000 569924884 /nfs/dbraw/zinc/92/48/84/569924884.db2.gz GCLZHIJWIIPXCS-UHFFFAOYSA-N 0 0 492.641 4.891 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223863444 569925509 /nfs/dbraw/zinc/92/55/09/569925509.db2.gz UUANAZOEVHNTTG-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223867072 569925644 /nfs/dbraw/zinc/92/56/44/569925644.db2.gz MSCPFLHXCGZHMV-KRWDZBQOSA-N 0 0 451.394 4.851 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223869088 569925742 /nfs/dbraw/zinc/92/57/42/569925742.db2.gz JLNRLVCMAVWJSI-SFHVURJKSA-N 0 0 458.599 4.544 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Br ZINC000223875043 569925886 /nfs/dbraw/zinc/92/58/86/569925886.db2.gz WKKFOKVTAYECRF-AWEZNQCLSA-N 0 0 485.781 4.564 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223880198 569926039 /nfs/dbraw/zinc/92/60/39/569926039.db2.gz OEEYOGYNLXSWMP-OAHLLOKOSA-N 0 0 469.434 4.789 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000223881181 569926107 /nfs/dbraw/zinc/92/61/07/569926107.db2.gz RXHNCLARRWSYGH-OSPHWJPCSA-N 0 0 485.005 4.736 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccccc1 ZINC000223890494 569926415 /nfs/dbraw/zinc/92/64/15/569926415.db2.gz ZCVNYUWEIKPUNF-QGZVFWFLSA-N 0 0 463.441 4.875 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223902867 569926717 /nfs/dbraw/zinc/92/67/17/569926717.db2.gz KNDNUVPYXQFNBK-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223902806 569926720 /nfs/dbraw/zinc/92/67/20/569926720.db2.gz KNDNUVPYXQFNBK-INIZCTEOSA-N 0 0 479.404 4.857 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223907452 569926862 /nfs/dbraw/zinc/92/68/62/569926862.db2.gz BTVNJCVAVFPVMP-RPBOFIJWSA-N 0 0 455.587 4.821 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccccc2Cl)cc1 ZINC000223906915 569926898 /nfs/dbraw/zinc/92/68/98/569926898.db2.gz KOZVRFFNMAFLKD-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223909814 569926956 /nfs/dbraw/zinc/92/69/56/569926956.db2.gz DKBDUYOYJAMQEX-LOSJGSFVSA-N 0 0 454.603 4.570 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223913644 569927075 /nfs/dbraw/zinc/92/70/75/569927075.db2.gz YNSYMOBUGSKUEA-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223920731 569927343 /nfs/dbraw/zinc/92/73/43/569927343.db2.gz QMPFKEUSUWMRJK-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(C)c1 ZINC000223929369 569927637 /nfs/dbraw/zinc/92/76/37/569927637.db2.gz RJTPKFMNXSZKKH-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223931168 569927669 /nfs/dbraw/zinc/92/76/69/569927669.db2.gz HXIXCNIAEMNWMQ-HNNXBMFYSA-N 0 0 451.792 4.589 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223937716 569927841 /nfs/dbraw/zinc/92/78/41/569927841.db2.gz JWCBAILENSGTCP-OAHLLOKOSA-N 0 0 467.368 4.987 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223940798 569927871 /nfs/dbraw/zinc/92/78/71/569927871.db2.gz KOWVXZAUFWLQAM-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)cc1 ZINC000223943649 569928001 /nfs/dbraw/zinc/92/80/01/569928001.db2.gz UTQVIGDTCYQQAJ-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223945344 569928046 /nfs/dbraw/zinc/92/80/46/569928046.db2.gz UTCIOYVVRGFLAM-SXOMAYOGSA-N 0 0 497.624 4.592 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 ZINC000223953157 569928221 /nfs/dbraw/zinc/92/82/21/569928221.db2.gz UIGMNQCOFSOIDO-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000223955707 569928371 /nfs/dbraw/zinc/92/83/71/569928371.db2.gz PJVPPVJDQOMRTI-LJQANCHMSA-N 0 0 452.576 4.685 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223963795 569928602 /nfs/dbraw/zinc/92/86/02/569928602.db2.gz OQLRDXXMHFNBSM-JWQCQUIFSA-N 0 0 468.586 4.711 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000223963928 569928608 /nfs/dbraw/zinc/92/86/08/569928608.db2.gz PANWFRZNFBUDPX-HOFKKMOUSA-N 0 0 488.628 4.937 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000223968916 569928919 /nfs/dbraw/zinc/92/89/19/569928919.db2.gz GWQDRFSKFPMZOQ-DNQXCXABSA-N 0 0 457.559 4.660 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223976492 569929191 /nfs/dbraw/zinc/92/91/91/569929191.db2.gz AQNLPJKGCQLSCD-AWEZNQCLSA-N 0 0 469.782 4.728 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223985875 569929494 /nfs/dbraw/zinc/92/94/94/569929494.db2.gz HFOPKLYLNGPUSS-DQEYMECFSA-N 0 0 469.570 4.713 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000223985793 569929518 /nfs/dbraw/zinc/92/95/18/569929518.db2.gz TXCYOMRCARYGJU-HSZRJFAPSA-N 0 0 460.615 4.791 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000223985845 569929520 /nfs/dbraw/zinc/92/95/20/569929520.db2.gz TXCYOMRCARYGJU-QHCPKHFHSA-N 0 0 460.615 4.791 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000223995080 569929775 /nfs/dbraw/zinc/92/97/75/569929775.db2.gz NLZJXJMAKPSORL-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223996367 569929838 /nfs/dbraw/zinc/92/98/38/569929838.db2.gz LRLCIUUDKVZYHB-QGZVFWFLSA-N 0 0 491.426 4.513 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223996417 569929845 /nfs/dbraw/zinc/92/98/45/569929845.db2.gz LRLCIUUDKVZYHB-KRWDZBQOSA-N 0 0 491.426 4.513 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000224010926 569930346 /nfs/dbraw/zinc/93/03/46/569930346.db2.gz LALDULWRMNVLEA-OAHLLOKOSA-N 0 0 469.434 4.789 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000224011996 569930383 /nfs/dbraw/zinc/93/03/83/569930383.db2.gz QNAHSTRZTMGFCJ-NEKDWFFYSA-N 0 0 488.628 4.937 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000224011517 569930415 /nfs/dbraw/zinc/93/04/15/569930415.db2.gz FUQKZBTWGQZXEV-OAHLLOKOSA-N 0 0 467.368 4.987 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000224012296 569930438 /nfs/dbraw/zinc/93/04/38/569930438.db2.gz MKPGCJMZNTXYJP-LXFBAYGMSA-N 0 0 488.628 4.937 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224019611 569930725 /nfs/dbraw/zinc/93/07/25/569930725.db2.gz 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570028908 /nfs/dbraw/zinc/02/89/08/570028908.db2.gz BKUMUMLJJDPJTJ-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN Cc1ccc(CNC(=S)Nc2nc(N3CCC(C)CC3)cc(N3CCCCCC3)n2)cc1 ZINC000225943787 570029035 /nfs/dbraw/zinc/02/90/35/570029035.db2.gz VUWKRPKEJYCKGX-UHFFFAOYSA-N 0 0 452.672 4.888 40 0 JJABRN Cc1ccc(CNC(=S)Nc2nc(N3CCN(c4ccccc4)CC3)cc(C(F)(F)F)n2)cc1 ZINC000225946325 570029165 /nfs/dbraw/zinc/02/91/65/570029165.db2.gz MRTQHNCIHJFPQQ-UHFFFAOYSA-N 0 0 486.567 4.617 40 0 JJABRN C[C@H]1CCCN(c2cc(N3Cc4ccccc4C3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 ZINC000225948268 570029225 /nfs/dbraw/zinc/02/92/25/570029225.db2.gz WVNOKFREKIKMBZ-SFHVURJKSA-N 0 0 476.625 4.859 40 0 JJABRN Fc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3Cc4ccccc4C3)n2)cc1 ZINC000225948821 570029259 /nfs/dbraw/zinc/02/92/59/570029259.db2.gz KSPOWUYXANKIPV-UHFFFAOYSA-N 0 0 489.605 4.564 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4cc(C)ccc4C2=C[C@@H]3c2ccccc2)cc1 ZINC000408731814 570029321 /nfs/dbraw/zinc/02/93/21/570029321.db2.gz 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FWTVZFCWHBDHQV-UHFFFAOYSA-N 0 0 468.428 4.663 40 0 JJABRN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)c1 ZINC000408529484 570187222 /nfs/dbraw/zinc/18/72/22/570187222.db2.gz HYWDSJPOJWKFSR-ZDUSSCGKSA-N 0 0 459.420 4.755 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(Cl)c2C)cc1C ZINC000408530429 570187652 /nfs/dbraw/zinc/18/76/52/570187652.db2.gz KZDUDAOTTJFQHO-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cccc1OC ZINC000408530308 570187659 /nfs/dbraw/zinc/18/76/59/570187659.db2.gz KDUJAEBJQZUUQV-RQZCQDPDSA-N 0 0 482.341 4.790 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000409263010 570187889 /nfs/dbraw/zinc/18/78/89/570187889.db2.gz JXPUIYDLOSCBDT-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000409263538 570188052 /nfs/dbraw/zinc/18/80/52/570188052.db2.gz HNFLDLNAMLMUMJ-UHFFFAOYSA-N 0 0 453.322 4.967 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000409265348 570188338 /nfs/dbraw/zinc/18/83/38/570188338.db2.gz UHVFAMZIKSQXHJ-UHFFFAOYSA-N 0 0 486.977 4.523 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409268280 570188843 /nfs/dbraw/zinc/18/88/43/570188843.db2.gz RWTVIBJVPCTTSR-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000409268949 570189042 /nfs/dbraw/zinc/18/90/42/570189042.db2.gz BTRPPWRZBPPISG-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000409270373 570189169 /nfs/dbraw/zinc/18/91/69/570189169.db2.gz FAIWBUOJKRGAQR-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN Cc1c(C=O)c(-c2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(I)cc1 ZINC000409272733 570189412 /nfs/dbraw/zinc/18/94/12/570189412.db2.gz RXMMEKIDYNIOSP-UHFFFAOYSA-N 0 0 469.282 4.827 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000409272609 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485.323 4.791 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2SC)cc1C ZINC000408550014 570194844 /nfs/dbraw/zinc/19/48/44/570194844.db2.gz APZGBCZDRAIPGB-UHFFFAOYSA-N 0 0 484.643 4.598 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408550613 570194982 /nfs/dbraw/zinc/19/49/82/570194982.db2.gz DUBCFFHZPIDEDO-INIZCTEOSA-N 0 0 478.492 4.762 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(SC)c2)cc1C ZINC000408553010 570195637 /nfs/dbraw/zinc/19/56/37/570195637.db2.gz UETYWRJXNJSLTB-UHFFFAOYSA-N 0 0 484.643 4.598 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCC1=CCCCC1 ZINC000408553131 570195747 /nfs/dbraw/zinc/19/57/47/570195747.db2.gz OCKSVGACFDEJEY-UHFFFAOYSA-N 0 0 493.423 4.635 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408553249 570195801 /nfs/dbraw/zinc/19/58/01/570195801.db2.gz PLHTUCUQQDPTQG-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1F ZINC000408554003 570196107 /nfs/dbraw/zinc/19/61/07/570196107.db2.gz AZSUHLWTCKXOKD-UHFFFAOYSA-N 0 0 482.577 4.730 40 0 JJABRN CCCOc1c(I)cc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC ZINC000408554791 570196414 /nfs/dbraw/zinc/19/64/14/570196414.db2.gz FQFLZRPRADASST-UHFFFAOYSA-N 0 0 485.318 4.748 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCc2ccccc2C1 ZINC000408555457 570196811 /nfs/dbraw/zinc/19/68/11/570196811.db2.gz AWXYQPYWUKOFIJ-UHFFFAOYSA-N 0 0 491.396 4.758 40 0 JJABRN O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000408556963 570197781 /nfs/dbraw/zinc/19/77/81/570197781.db2.gz LEUXGZNPCIALIE-UHFFFAOYSA-N 0 0 471.804 4.920 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)c1ccccc1C ZINC000408557029 570197931 /nfs/dbraw/zinc/19/79/31/570197931.db2.gz KLTPILZSCIHKKE-UHFFFAOYSA-N 0 0 475.364 4.819 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1C ZINC000408557144 570198086 /nfs/dbraw/zinc/19/80/86/570198086.db2.gz LIEWICFKZZKPLM-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408557331 570198190 /nfs/dbraw/zinc/19/81/90/570198190.db2.gz MRZUIDXSOAQUQI-SNVBAGLBSA-N 0 0 455.285 4.805 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408558040 570198770 /nfs/dbraw/zinc/19/87/70/570198770.db2.gz HZJYCWLGHZUDJW-FQEVSTJZSA-N 0 0 482.911 4.887 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1C ZINC000408558406 570198932 /nfs/dbraw/zinc/19/89/32/570198932.db2.gz RKGIHXQKSLVTQD-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000408558436 570198934 /nfs/dbraw/zinc/19/89/34/570198934.db2.gz IZQAFCDKNKIOQT-UHFFFAOYSA-N 0 0 465.015 4.513 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)NC1CCCCC1 ZINC000408558536 570199079 /nfs/dbraw/zinc/19/90/79/570199079.db2.gz RVMFZPWVEYZBAK-UHFFFAOYSA-N 0 0 454.636 4.701 40 0 JJABRN CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000409312270 570199363 /nfs/dbraw/zinc/19/93/63/570199363.db2.gz FHLLPVXFDXYKAL-UHFFFAOYSA-N 0 0 452.576 4.648 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408559490 570199782 /nfs/dbraw/zinc/19/97/82/570199782.db2.gz XITNIFBVLRWKHC-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)c1ccccc1C ZINC000408559798 570200057 /nfs/dbraw/zinc/20/00/57/570200057.db2.gz YYGLTGJDEKFRKZ-UHFFFAOYSA-N 0 0 475.364 4.819 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408559890 570200144 /nfs/dbraw/zinc/20/01/44/570200144.db2.gz NFMOODSISPJLPC-OAQYLSRUSA-N 0 0 462.493 4.542 40 0 JJABRN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408560051 570200259 /nfs/dbraw/zinc/20/02/59/570200259.db2.gz ZTPXCOKZAYAACE-QGZVFWFLSA-N 0 0 491.382 4.781 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1F ZINC000408560048 570200270 /nfs/dbraw/zinc/20/02/70/570200270.db2.gz ZSNVWNSZUPLQED-UHFFFAOYSA-N 0 0 462.930 4.609 40 0 JJABRN COc1ccccc1CNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409316457 570200334 /nfs/dbraw/zinc/20/03/34/570200334.db2.gz XVCNWKKIYKGUJO-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)c1ccccc1 ZINC000408560520 570200426 /nfs/dbraw/zinc/20/04/26/570200426.db2.gz DBSLWOKMSFGDQX-GOSISDBHSA-N 0 0 485.005 4.738 40 0 JJABRN CCCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409318356 570200619 /nfs/dbraw/zinc/20/06/19/570200619.db2.gz VVILAISXQMDFJZ-UHFFFAOYSA-N 0 0 457.423 4.799 40 0 JJABRN COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000408561118 570200822 /nfs/dbraw/zinc/20/08/22/570200822.db2.gz GRSOGHDESKAMEC-UHFFFAOYSA-N 0 0 479.316 4.551 40 0 JJABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408561553 570201179 /nfs/dbraw/zinc/20/11/79/570201179.db2.gz JNCDVBLBBHZFEZ-UHFFFAOYSA-N 0 0 451.592 4.951 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(SC)c2)CC1 ZINC000408562209 570201593 /nfs/dbraw/zinc/20/15/93/570201593.db2.gz YDYVFJJUSBUQQD-UHFFFAOYSA-N 0 0 469.028 4.500 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000408562227 570201662 /nfs/dbraw/zinc/20/16/62/570201662.db2.gz YHNZXKOYGBFRKU-UHFFFAOYSA-N 0 0 490.965 4.566 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409324893 570201948 /nfs/dbraw/zinc/20/19/48/570201948.db2.gz VNVZAEPDTJWUNS-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000408562836 570201987 /nfs/dbraw/zinc/20/19/87/570201987.db2.gz FPXDPJFGRHQHFG-UHFFFAOYSA-N 0 0 492.384 4.786 40 0 JJABRN COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000408562944 570202020 /nfs/dbraw/zinc/20/20/20/570202020.db2.gz HBOASMRHYAISCT-UPQSEYGOSA-N 0 0 456.542 4.783 40 0 JJABRN CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)c1 ZINC000408564512 570202569 /nfs/dbraw/zinc/20/25/69/570202569.db2.gz ZAIHZGQUAMVMBM-UHFFFAOYSA-N 0 0 476.913 4.500 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000408564459 570202693 /nfs/dbraw/zinc/20/26/93/570202693.db2.gz YLFVATVIRWGLJU-UHFFFAOYSA-N 0 0 483.348 4.629 40 0 JJABRN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc(OC)c1OC ZINC000408566011 570203639 /nfs/dbraw/zinc/20/36/39/570203639.db2.gz MPJSUGARJHAALZ-UHFFFAOYSA-N 0 0 490.965 4.727 40 0 JJABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCc2ccccc2)c(C)c1 ZINC000408573015 570205078 /nfs/dbraw/zinc/20/50/78/570205078.db2.gz BCPRYHYWGIANPD-UHFFFAOYSA-N 0 0 488.975 4.593 40 0 JJABRN COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(C)c2)cc2cc(Cl)ccc21 ZINC000408572979 570205085 /nfs/dbraw/zinc/20/50/85/570205085.db2.gz AZDLZFKKYKOCKK-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccc(C)cc2)cc1OC ZINC000408573367 570205158 /nfs/dbraw/zinc/20/51/58/570205158.db2.gz CWCVDMQEIMFWKZ-UHFFFAOYSA-N 0 0 478.614 4.857 40 0 JJABRN O=C(NCCc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408574118 570205342 /nfs/dbraw/zinc/20/53/42/570205342.db2.gz CHBALGRSKIAHLE-UHFFFAOYSA-N 0 0 495.366 4.629 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl ZINC000408584743 570207724 /nfs/dbraw/zinc/20/77/24/570207724.db2.gz ULKQLPQXGOPLPI-UHFFFAOYSA-N 0 0 457.379 4.540 40 0 JJABRN COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)cc1 ZINC000408576445 570205894 /nfs/dbraw/zinc/20/58/94/570205894.db2.gz HDPMZWZUZNQJHX-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 ZINC000408578717 570206350 /nfs/dbraw/zinc/20/63/50/570206350.db2.gz LRBVWJTURQBVDE-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccc(F)cc3)CC2=O)cc1 ZINC000408579157 570206481 /nfs/dbraw/zinc/20/64/81/570206481.db2.gz NFEXXOLPXBBRII-HXUWFJFHSA-N 0 0 489.547 4.536 40 0 JJABRN CCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Cl)ccc21 ZINC000408579750 570206498 /nfs/dbraw/zinc/20/64/98/570206498.db2.gz OPTIHXNSWCAEST-UHFFFAOYSA-N 0 0 481.767 4.840 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3Cl)cc3cc(Cl)ccc32)cc1 ZINC000408579760 570206526 /nfs/dbraw/zinc/20/65/26/570206526.db2.gz OUNPYYYIICPBJX-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN CC(C)CNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408580420 570206548 /nfs/dbraw/zinc/20/65/48/570206548.db2.gz QPRNOOWVRRKOKK-UHFFFAOYSA-N 0 0 481.767 4.696 40 0 JJABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccc(C)cc3)CC2=O)cc1 ZINC000408580893 570206693 /nfs/dbraw/zinc/20/66/93/570206693.db2.gz RTVLTQQNRGMIQZ-JOCHJYFZSA-N 0 0 485.584 4.705 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3cccc(Cl)c3)cc3cc(Cl)ccc32)cc1 ZINC000408581870 570206837 /nfs/dbraw/zinc/20/68/37/570206837.db2.gz UYIUQDWVWZXFSS-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000408582285 570206956 /nfs/dbraw/zinc/20/69/56/570206956.db2.gz CCGBXWFKTINLCD-HSZRJFAPSA-N 0 0 494.613 4.836 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)Cc2ccccc2)cc1Cl ZINC000408582617 570206987 /nfs/dbraw/zinc/20/69/87/570206987.db2.gz DOKGGKMQBCDDSP-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000408582494 570207015 /nfs/dbraw/zinc/20/70/15/570207015.db2.gz WTDMFRQHKXYINN-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)cc1Cl ZINC000408582641 570207105 /nfs/dbraw/zinc/20/71/05/570207105.db2.gz DZOOOQAESPVKBH-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc(C(C)C)cc4)CC3=O)cc2)cc1 ZINC000408583069 570207153 /nfs/dbraw/zinc/20/71/53/570207153.db2.gz YNPHNGNBVRXCBG-XMMPIXPASA-N 0 0 499.611 4.805 40 0 JJABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000408583065 570207156 /nfs/dbraw/zinc/20/71/56/570207156.db2.gz YMFAZZCMZQDXPK-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1Cl ZINC000408583979 570207385 /nfs/dbraw/zinc/20/73/85/570207385.db2.gz LAHFDNDDCBSJBN-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1 ZINC000408584362 570207573 /nfs/dbraw/zinc/20/75/73/570207573.db2.gz OQYQUMSGOIHYPI-NRFANRHFSA-N 0 0 450.604 4.866 40 0 JJABRN CCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000408584349 570207596 /nfs/dbraw/zinc/20/75/96/570207596.db2.gz OOCZEGVCHVPRPD-UHFFFAOYSA-N 0 0 472.994 4.741 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000408584636 570207647 /nfs/dbraw/zinc/20/76/47/570207647.db2.gz SHKZXGOBNRFUOR-UHFFFAOYSA-N 0 0 494.613 4.836 40 0 JJABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000408584932 570207779 /nfs/dbraw/zinc/20/77/79/570207779.db2.gz WTOWCRNJFJSAIO-JOCHJYFZSA-N 0 0 487.419 4.594 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(Cl)c2)cc1 ZINC000408584906 570207806 /nfs/dbraw/zinc/20/78/06/570207806.db2.gz WLMAPELKOOJAHL-UHFFFAOYSA-N 0 0 450.988 4.667 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000408584995 570207873 /nfs/dbraw/zinc/20/78/73/570207873.db2.gz AAOKECURPRHOIR-SFHVURJKSA-N 0 0 470.566 4.776 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1)N1CCCCCC1 ZINC000408585265 570207876 /nfs/dbraw/zinc/20/78/76/570207876.db2.gz YHOPEFXLVSBTRU-UHFFFAOYSA-N 0 0 452.374 4.658 40 0 JJABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408585373 570207894 /nfs/dbraw/zinc/20/78/94/570207894.db2.gz FTVHCMQGONJINC-UHFFFAOYSA-N 0 0 456.520 4.643 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl ZINC000408585507 570207973 /nfs/dbraw/zinc/20/79/73/570207973.db2.gz YTVKGTCNOLEXRN-KRWDZBQOSA-N 0 0 490.984 4.796 40 0 JJABRN CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408585505 570207976 /nfs/dbraw/zinc/20/79/76/570207976.db2.gz YSTQMCDFKFBPKB-JOCHJYFZSA-N 0 0 487.419 4.540 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1c(C)cccc1C)c1ccc(F)cc1 ZINC000408585932 570208018 /nfs/dbraw/zinc/20/80/18/570208018.db2.gz KJHYKIMBNGYDNH-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408586857 570208194 /nfs/dbraw/zinc/20/81/94/570208194.db2.gz CJBFJIHQGKAPMI-UHFFFAOYSA-N 0 0 482.602 4.771 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21 ZINC000408587896 570208456 /nfs/dbraw/zinc/20/84/56/570208456.db2.gz CPFYXFKRMBXYPD-GOSISDBHSA-N 0 0 479.577 4.993 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000408588569 570208584 /nfs/dbraw/zinc/20/85/84/570208584.db2.gz DDRAQOBBVVEJDE-UHFFFAOYSA-N 0 0 490.931 4.715 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl ZINC000408588753 570208628 /nfs/dbraw/zinc/20/86/28/570208628.db2.gz DWQOKYBTCRXZFU-UHFFFAOYSA-N 0 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520433877 /nfs/dbraw/zinc/43/38/77/520433877.db2.gz JFNIOTXAMZZTDN-QKDODKLFSA-N 0 0 486.568 4.921 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000033590301 520488418 /nfs/dbraw/zinc/48/84/18/520488418.db2.gz CNPOMSIAFKMQHT-RNHBDSLOSA-N 0 0 495.044 4.749 40 0 JJABRN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OCC(=O)NC1CCCCC1 ZINC000006600546 520784898 /nfs/dbraw/zinc/78/48/98/520784898.db2.gz MDGMNTJFFJWKDD-XMMPIXPASA-N 0 0 483.634 4.707 40 0 JJABRN CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(Br)cc4)cc3)C(=O)[C@H]21 ZINC000016607248 520887645 /nfs/dbraw/zinc/88/76/45/520887645.db2.gz ZPDJWMWIOUYSRW-VRXWPRPYSA-N 0 0 466.331 4.508 40 0 JJABRN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018045071 520899489 /nfs/dbraw/zinc/89/94/89/520899489.db2.gz JPEMRARTJNKTAG-ZNZIZOMTSA-N 0 0 472.541 4.925 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Br)c2)cc1Br ZINC000016692132 520902464 /nfs/dbraw/zinc/90/24/64/520902464.db2.gz XGUDXVBQVNGRLU-UHFFFAOYSA-N 0 0 488.201 4.746 40 0 JJABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OCC ZINC000030756033 520945029 /nfs/dbraw/zinc/94/50/29/520945029.db2.gz JOGITNJFHHBVRP-UHFFFAOYSA-N 0 0 474.623 4.620 40 0 JJABRN CCOc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000006089956 521124318 /nfs/dbraw/zinc/12/43/18/521124318.db2.gz YVPUDJOHZWTBIY-QFIPXVFZSA-N 0 0 451.592 4.613 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC000016692397 521182597 /nfs/dbraw/zinc/18/25/97/521182597.db2.gz YOXMHTJMZZJIQW-UHFFFAOYSA-N 0 0 487.021 4.588 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020460815 521217329 /nfs/dbraw/zinc/21/73/29/521217329.db2.gz JBHHFZBYJSTZEE-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044903785 521218133 /nfs/dbraw/zinc/21/81/33/521218133.db2.gz FLOKKJKPMUKKCK-QGZVFWFLSA-N 0 0 490.984 4.951 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044901797 521218427 /nfs/dbraw/zinc/21/84/27/521218427.db2.gz STMFNHPXMRQOPO-GOSISDBHSA-N 0 0 472.994 4.811 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000020495293 521218652 /nfs/dbraw/zinc/21/86/52/521218652.db2.gz OKUVUTRYWCZXEJ-GOSISDBHSA-N 0 0 472.994 4.811 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000020455848 521220108 /nfs/dbraw/zinc/22/01/08/521220108.db2.gz KOQJMLQTWJSZRJ-VQIMIIECSA-N 0 0 499.460 4.811 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020453811 521252893 /nfs/dbraw/zinc/25/28/93/521252893.db2.gz UOEMMLKELLLHQN-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000022522618 521256546 /nfs/dbraw/zinc/25/65/46/521256546.db2.gz DBLWLIIOGCZZJS-GKVSMKOHSA-N 0 0 450.560 4.944 40 0 JJABRN CCCCc1ccc(NC(=O)Cn2c(=O)c(CCO)c(C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000067301384 521279407 /nfs/dbraw/zinc/27/94/07/521279407.db2.gz WKMRIPPGXXRFDN-UHFFFAOYSA-N 0 0 487.522 4.754 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1Cl ZINC000012484068 521346041 /nfs/dbraw/zinc/34/60/41/521346041.db2.gz NJSADUPHVCGIMD-NRFANRHFSA-N 0 0 488.009 4.804 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000044902919 521350894 /nfs/dbraw/zinc/35/08/94/521350894.db2.gz NDFYJRYRSQNWOC-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000022525218 521356530 /nfs/dbraw/zinc/35/65/30/521356530.db2.gz FURGKUTWLFBBSH-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000022517494 521386288 /nfs/dbraw/zinc/38/62/88/521386288.db2.gz ZGBVFMMVVVWUFB-UHFFFAOYSA-N 0 0 471.406 4.573 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC ZINC000006878300 521391735 /nfs/dbraw/zinc/39/17/35/521391735.db2.gz YJFVHEZUTXSBJQ-UHFFFAOYSA-N 0 0 491.614 4.635 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044902092 521490861 /nfs/dbraw/zinc/49/08/61/521490861.db2.gz MKWYBRDBDPUXEJ-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000020030569 521492516 /nfs/dbraw/zinc/49/25/16/521492516.db2.gz NWYOGSGKLJZMAC-UHFFFAOYSA-N 0 0 484.418 4.528 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020483040 521494968 /nfs/dbraw/zinc/49/49/68/521494968.db2.gz WJRAGBDOXHEIJK-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020495535 521498242 /nfs/dbraw/zinc/49/82/42/521498242.db2.gz FYJSCLVDFMIPDM-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012499931 521504142 /nfs/dbraw/zinc/50/41/42/521504142.db2.gz NOAHVGXIACCIMN-UHFFFAOYSA-N 0 0 451.567 4.587 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000020040138 521513046 /nfs/dbraw/zinc/51/30/46/521513046.db2.gz DUUITYVZWKKKSV-DEOSSOPVSA-N 0 0 478.614 4.783 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl ZINC000020456562 521514910 /nfs/dbraw/zinc/51/49/10/521514910.db2.gz MZKVVLKWSSLQEJ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013497694 521704065 /nfs/dbraw/zinc/70/40/65/521704065.db2.gz AVQZPYAFMWLNLI-QHCPKHFHSA-N 0 0 463.043 4.999 40 0 JJABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000020048076 521771122 /nfs/dbraw/zinc/77/11/22/521771122.db2.gz GBQQOLAUYABLOD-UHFFFAOYSA-N 0 0 497.480 4.742 40 0 JJABRN CCc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)C)c1ccc(F)cc1 ZINC000013501345 521848691 /nfs/dbraw/zinc/84/86/91/521848691.db2.gz ZBFARLFDMIWNIH-MHZLTWQESA-N 0 0 490.579 4.801 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020105423 521849220 /nfs/dbraw/zinc/84/92/20/521849220.db2.gz MVTJJJYTVYCRKT-FQEVSTJZSA-N 0 0 496.629 4.647 40 0 JJABRN CCc1ccccc1NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1 ZINC000033255014 521878821 /nfs/dbraw/zinc/87/88/21/521878821.db2.gz GDPYBQDZENLORS-UHFFFAOYSA-N 0 0 483.597 4.580 40 0 JJABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cc(Cl)ccc1OC ZINC000013564606 521918593 /nfs/dbraw/zinc/91/85/93/521918593.db2.gz PBQJYVLPVRMOKP-UHFFFAOYSA-N 0 0 455.873 4.658 40 0 JJABRN COC(=O)c1ccc(CS(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000020491931 522049458 /nfs/dbraw/zinc/04/94/58/522049458.db2.gz ZUGRMOAGVPIZMT-UHFFFAOYSA-N 0 0 480.586 4.965 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498365 522075791 /nfs/dbraw/zinc/07/57/91/522075791.db2.gz KMBBNTRQMWCHPU-RUZDIDTESA-N 0 0 476.598 4.911 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020107552 522382126 /nfs/dbraw/zinc/38/21/26/522382126.db2.gz GTFNKJGICGDFJS-QHCPKHFHSA-N 0 0 472.994 4.811 40 0 JJABRN COc1cc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)ccc1OC(C)C ZINC000020491445 522432510 /nfs/dbraw/zinc/43/25/10/522432510.db2.gz DGUZDNWBGJUSGG-UHFFFAOYSA-N 0 0 488.993 4.867 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000044899751 522495863 /nfs/dbraw/zinc/49/58/63/522495863.db2.gz AQYVUVGXJLMWBR-NQIIRXRSSA-N 0 0 469.434 4.803 40 0 JJABRN CN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188276 522504067 /nfs/dbraw/zinc/50/40/67/522504067.db2.gz XOWNKHXVCOYKIM-UHFFFAOYSA-N 0 0 492.984 4.983 40 0 JJABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020481038 522507289 /nfs/dbraw/zinc/50/72/89/522507289.db2.gz KKNPCOLHLMIRPG-CYFREDJKSA-N 0 0 452.576 4.901 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(OC)cc1 ZINC000020458163 522511142 /nfs/dbraw/zinc/51/11/42/522511142.db2.gz DCGDVNUMMPEMCT-AVRDEDQJSA-N 0 0 499.460 4.811 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022324330 522683103 /nfs/dbraw/zinc/68/31/03/522683103.db2.gz PVBRJWSTHMEALG-XMMPIXPASA-N 0 0 470.566 4.606 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000044899754 522769407 /nfs/dbraw/zinc/76/94/07/522769407.db2.gz AQYVUVGXJLMWBR-GHTZIAJQSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000022521396 522885967 /nfs/dbraw/zinc/88/59/67/522885967.db2.gz IRBLUEKKOQGHCH-DEOSSOPVSA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495288 522982406 /nfs/dbraw/zinc/98/24/06/522982406.db2.gz WASZFCZBFRWWGQ-HSZRJFAPSA-N 0 0 459.598 4.517 40 0 JJABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3cc(Cl)cc(Cl)c3)c2=O)cc1 ZINC000022610787 523079536 /nfs/dbraw/zinc/07/95/36/523079536.db2.gz CDZXHYQNIGTSIT-UHFFFAOYSA-N 0 0 452.301 4.719 40 0 JJABRN COc1ccc(-c2nc3c(n2C(C)=O)SC(c2ccc(OC(F)F)cc2)=NN3C(C)=O)cc1 ZINC000016807273 523225604 /nfs/dbraw/zinc/22/56/04/523225604.db2.gz WCTRWHFARBLZCA-UHFFFAOYSA-N 0 0 472.473 4.641 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083543 523230147 /nfs/dbraw/zinc/23/01/47/523230147.db2.gz GXNZFJSIPSQXLD-UHFFFAOYSA-N 0 0 466.485 4.732 40 0 JJABRN COCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccccc45)ccc32)c1-c1ccc(F)cc1 ZINC000040397156 523246121 /nfs/dbraw/zinc/24/61/21/523246121.db2.gz BPDTVNYJTDDFLF-UHFFFAOYSA-N 0 0 467.504 4.721 40 0 JJABRN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCc1cccc2ccccc21 ZINC000005433986 523299444 /nfs/dbraw/zinc/29/94/44/523299444.db2.gz WUNPMCGHGUNQTC-UNMCSNQZSA-N 0 0 480.630 4.592 40 0 biogenic,in-vitro JJABRN COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000028247842 523318107 /nfs/dbraw/zinc/31/81/07/523318107.db2.gz PFQFNNZELNJMFG-UHFFFAOYSA-N 0 0 488.569 4.788 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccn2)cc1 ZINC000016789533 523322269 /nfs/dbraw/zinc/32/22/69/523322269.db2.gz LQYIVYDIBIWHRY-UHFFFAOYSA-N 0 0 451.939 4.722 40 0 JJABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)NCCc1ccccc1 ZINC000022537933 523722033 /nfs/dbraw/zinc/72/20/33/523722033.db2.gz RCELDJSPUOGCGV-NRFANRHFSA-N 0 0 480.630 4.632 40 0 JJABRN CN(C(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000022429901 523814801 /nfs/dbraw/zinc/81/48/01/523814801.db2.gz KJHSNQLQQBBRSJ-UHFFFAOYSA-N 0 0 455.407 4.980 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431732 523817821 /nfs/dbraw/zinc/81/78/21/523817821.db2.gz GXSLGNGWBLBUGH-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449607 523842357 /nfs/dbraw/zinc/84/23/57/523842357.db2.gz KPXXCVOWLLHSEG-INIZCTEOSA-N 0 0 454.523 4.535 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000020007052 523849242 /nfs/dbraw/zinc/84/92/42/523849242.db2.gz MTERTLSVEUGNSP-IBGZPJMESA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000022539679 523849478 /nfs/dbraw/zinc/84/94/78/523849478.db2.gz OOMRVTYRCVWLKY-RCZVLFRGSA-N 0 0 494.657 4.696 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000022539669 523849984 /nfs/dbraw/zinc/84/99/84/523849984.db2.gz OOMRVTYRCVWLKY-DHLKQENFSA-N 0 0 494.657 4.696 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000020007333 523851545 /nfs/dbraw/zinc/85/15/45/523851545.db2.gz GDVGYUYFAFFWKF-HSZRJFAPSA-N 0 0 480.630 4.964 40 0 JJABRN COc1ccc(CCN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000008829187 523938938 /nfs/dbraw/zinc/93/89/38/523938938.db2.gz HWRKTAIPGOYFEK-HXUWFJFHSA-N 0 0 468.541 4.880 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)CC)c2ccco2)cc1 ZINC000012484223 523956316 /nfs/dbraw/zinc/95/63/16/523956316.db2.gz KLZDNOXBZKBLRS-HSZRJFAPSA-N 0 0 481.618 4.713 40 0 JJABRN CCc1ccc(S(=O)(=O)/N=c2/scc(-c3ccc(Br)cc3)n2CC)cc1 ZINC000016754812 524010087 /nfs/dbraw/zinc/01/00/87/524010087.db2.gz PTSDEUBBHKANGA-XUTLUUPISA-N 0 0 451.411 4.851 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3c4ccccc4C[C@@H]3C)cc2c1 ZINC000006135265 524058280 /nfs/dbraw/zinc/05/82/80/524058280.db2.gz RZQOTEIZQGOQJY-PPHZAIPVSA-N 0 0 476.584 4.666 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C(C)=O)cc3)cc2c1 ZINC000006197834 524058300 /nfs/dbraw/zinc/05/83/00/524058300.db2.gz UBDDPRLOIBKITF-UHFFFAOYSA-N 0 0 474.582 4.684 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000006197902 524058430 /nfs/dbraw/zinc/05/84/30/524058430.db2.gz VMVXVSBVDRMYFX-QHCPKHFHSA-N 0 0 462.642 4.968 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1 ZINC000006135296 524058664 /nfs/dbraw/zinc/05/86/64/524058664.db2.gz RXLYMJTZGFPJHO-RUZDIDTESA-N 0 0 454.578 4.734 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000012490520 524113253 /nfs/dbraw/zinc/11/32/53/524113253.db2.gz KYUUUMZUKJYVEE-DEOSSOPVSA-N 0 0 477.630 4.784 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013506608 524114583 /nfs/dbraw/zinc/11/45/83/524114583.db2.gz VFDZSJDRZFHOBR-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NC2CCCCC2)cc1OC ZINC000016227291 524157926 /nfs/dbraw/zinc/15/79/26/524157926.db2.gz MLKPDQYSLDMQKU-QFIPXVFZSA-N 0 0 468.594 4.905 40 0 JJABRN COc1cccc([C@H](Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)NC2CCCCC2)c1 ZINC000006077379 524162303 /nfs/dbraw/zinc/16/23/03/524162303.db2.gz CRUBCPYZAMUGHO-SANMLTNESA-N 0 0 499.677 4.718 40 0 JJABRN COc1cccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc(C)ccc3C)CC2)c1OC ZINC000013503824 524168784 /nfs/dbraw/zinc/16/87/84/524168784.db2.gz GCGLJLNYSCOMCY-AREMUKBSSA-N 0 0 490.652 4.724 40 0 JJABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000037021529 524216637 /nfs/dbraw/zinc/21/66/37/524216637.db2.gz JOXJPDHLLDXKAQ-CVEARBPZSA-N 0 0 467.031 4.678 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000016188046 524247050 /nfs/dbraw/zinc/24/70/50/524247050.db2.gz LSASEWQHYAXDQU-UHFFFAOYSA-N 0 0 472.177 4.568 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000022539224 524247335 /nfs/dbraw/zinc/24/73/35/524247335.db2.gz RVDZEDJDCFNOQX-KRWDZBQOSA-N 0 0 490.984 4.556 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449757 524247403 /nfs/dbraw/zinc/24/74/03/524247403.db2.gz ZKFQTSMWFHFQHZ-MOPGFXCFSA-N 0 0 466.578 4.717 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676759 524295972 /nfs/dbraw/zinc/29/59/72/524295972.db2.gz TVLWCGGHQYQPBQ-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccccc1-n1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 ZINC000028047359 524300805 /nfs/dbraw/zinc/30/08/05/524300805.db2.gz CERXYWQGVAUBCB-UHFFFAOYSA-N 0 0 488.569 4.788 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C2CCCCC2)c(C)c1 ZINC000020013506 524313411 /nfs/dbraw/zinc/31/34/11/524313411.db2.gz QRTYGEAEAMCSIQ-UHFFFAOYSA-N 0 0 450.551 4.852 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)c(C)c1 ZINC000022536093 524313809 /nfs/dbraw/zinc/31/38/09/524313809.db2.gz UUFBJDNKBIBCKO-FQEVSTJZSA-N 0 0 460.615 4.952 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1C ZINC000022537209 524329168 /nfs/dbraw/zinc/32/91/68/524329168.db2.gz IQNYKBNRWCGGJI-OAQYLSRUSA-N 0 0 472.651 4.787 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022535405 524329501 /nfs/dbraw/zinc/32/95/01/524329501.db2.gz CKTYRNDLXMFMPD-HSZRJFAPSA-N 0 0 464.631 4.723 40 0 JJABRN COc1ccc(N(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013494350 524337804 /nfs/dbraw/zinc/33/78/04/524337804.db2.gz KPUKNNRPPCNMMH-JOCHJYFZSA-N 0 0 468.554 4.523 40 0 JJABRN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000020491647 524363888 /nfs/dbraw/zinc/36/38/88/524363888.db2.gz YIQNCLIYCMBCTE-UHFFFAOYSA-N 0 0 469.434 4.502 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430835 524365655 /nfs/dbraw/zinc/36/56/55/524365655.db2.gz VPPLDWUZXXLQBK-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000020047369 524370346 /nfs/dbraw/zinc/37/03/46/524370346.db2.gz FCQNJNSCDSYZJK-UUOWRZLLSA-N 0 0 487.021 4.717 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)c1 ZINC000013564466 524401743 /nfs/dbraw/zinc/40/17/43/524401743.db2.gz UWHMUMGXJGEUJM-DEOSSOPVSA-N 0 0 477.630 4.784 40 0 JJABRN Cc1ccc(CN(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020011485 524402885 /nfs/dbraw/zinc/40/28/85/524402885.db2.gz MBCABOGEPJJZEO-AREMUKBSSA-N 0 0 462.615 4.688 40 0 JJABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022535777 524404457 /nfs/dbraw/zinc/40/44/57/524404457.db2.gz BRMHVNVZTGWFPK-SFHVURJKSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022431885 524427508 /nfs/dbraw/zinc/42/75/08/524427508.db2.gz JREIIVOECPRZNK-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020453480 524436134 /nfs/dbraw/zinc/43/61/34/524436134.db2.gz XMLDVFKCXDFHNX-UHFFFAOYSA-N 0 0 458.967 4.730 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000013501450 524509573 /nfs/dbraw/zinc/50/95/73/524509573.db2.gz NXHFGWHHHIWHAD-SANMLTNESA-N 0 0 490.579 4.937 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 ZINC000006136667 524512641 /nfs/dbraw/zinc/51/26/41/524512641.db2.gz CAJFUEFEINLIOE-UHFFFAOYSA-N 0 0 451.939 4.722 40 0 JJABRN Cc1cccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000044839199 524524341 /nfs/dbraw/zinc/52/43/41/524524341.db2.gz VXIOXTNKYFWOJI-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3s2)c1C ZINC000036028906 524601755 /nfs/dbraw/zinc/60/17/55/524601755.db2.gz ABUGALYCXBAKRO-YJEDKTMASA-N 0 0 489.622 4.955 40 0 JJABRN Cc1cc(C)nc(SCc2nc3cc(NC(=S)N[C@@H]4C[C@H]5CC[C@@H]4C5)ccc3n2C)n1 ZINC000012323818 524602004 /nfs/dbraw/zinc/60/20/04/524602004.db2.gz NHOQOBTWOFNXJZ-LZLYRXPVSA-N 0 0 452.653 4.747 40 0 JJABRN COc1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000006244756 524631584 /nfs/dbraw/zinc/63/15/84/524631584.db2.gz GUKSLOXOFMTVPP-UHFFFAOYSA-N 0 0 458.587 4.948 40 0 JJABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c(OC)c1 ZINC000020483752 524636541 /nfs/dbraw/zinc/63/65/41/524636541.db2.gz WVVAINBCBHIJFF-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)cc1Br ZINC000016291094 524666806 /nfs/dbraw/zinc/66/68/06/524666806.db2.gz VXGUODGKHWCGLF-UHFFFAOYSA-N 0 0 451.386 4.782 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 ZINC000013507006 524875937 /nfs/dbraw/zinc/87/59/37/524875937.db2.gz YKHUXBJDFDRJEY-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429497 524891683 /nfs/dbraw/zinc/89/16/83/524891683.db2.gz VEVRFNOJRHSFAT-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020487371 524893839 /nfs/dbraw/zinc/89/38/39/524893839.db2.gz FGGMTVJNHPQJOU-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020487374 524894071 /nfs/dbraw/zinc/89/40/71/524894071.db2.gz FGGMTVJNHPQJOU-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020460895 524900221 /nfs/dbraw/zinc/90/02/21/524900221.db2.gz BJKRRZPCVNYRES-LJQANCHMSA-N 0 0 454.567 4.900 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2)cc1OC ZINC000044901135 525006544 /nfs/dbraw/zinc/00/65/44/525006544.db2.gz LDOZMYIWCASFAN-LJQANCHMSA-N 0 0 482.602 4.637 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000022527454 525008510 /nfs/dbraw/zinc/00/85/10/525008510.db2.gz BOYWGPUAVJNSBQ-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2cccc(Cl)c2)cc1 ZINC000022533925 525009744 /nfs/dbraw/zinc/00/97/44/525009744.db2.gz KHUSROKUDXGOGH-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)C2CCCCC2)cc1Cl ZINC000022536237 525011267 /nfs/dbraw/zinc/01/12/67/525011267.db2.gz KRHDNLFLPUFZSK-MRXNPFEDSA-N 0 0 483.005 4.689 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020495787 525022023 /nfs/dbraw/zinc/02/20/23/525022023.db2.gz JHPICKBBXQZEPI-HHHXNRCGSA-N 0 0 492.641 4.944 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000022539966 525028530 /nfs/dbraw/zinc/02/85/30/525028530.db2.gz RQBQKLWOURFJLZ-RBUKOAKNSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000020008812 525070312 /nfs/dbraw/zinc/07/03/12/525070312.db2.gz FCFXYNTWASMGPN-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000022537626 525092548 /nfs/dbraw/zinc/09/25/48/525092548.db2.gz JDIIYFJTXYRHCP-MOPGFXCFSA-N 0 0 454.567 4.675 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000032180726 525100078 /nfs/dbraw/zinc/10/00/78/525100078.db2.gz AIFIYHHBRIHVCU-GOSISDBHSA-N 0 0 487.419 4.517 40 0 JJABRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)ccc1Br ZINC000019868018 525118233 /nfs/dbraw/zinc/11/82/33/525118233.db2.gz NDALXHHGCWKANY-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2F)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505697 525121904 /nfs/dbraw/zinc/12/19/04/525121904.db2.gz FHXJWJVKOIRCII-AREMUKBSSA-N 0 0 492.551 4.674 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020457603 525141769 /nfs/dbraw/zinc/14/17/69/525141769.db2.gz COWKLPAYGDUNDX-MRXNPFEDSA-N 0 0 458.967 4.949 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000020490458 525173375 /nfs/dbraw/zinc/17/33/75/525173375.db2.gz IKUGYMOYTPWKDM-HSZRJFAPSA-N 0 0 454.592 4.518 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000022531550 525173909 /nfs/dbraw/zinc/17/39/09/525173909.db2.gz ZVTLUNUCQYUTAR-LJQANCHMSA-N 0 0 473.422 4.672 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000022429697 525175169 /nfs/dbraw/zinc/17/51/69/525175169.db2.gz RSGYZNGLSLZETC-XMMPIXPASA-N 0 0 496.629 4.803 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000020494927 525175302 /nfs/dbraw/zinc/17/53/02/525175302.db2.gz WVYPWPJDOSVUHE-AOYPEHQESA-N 0 0 486.678 4.573 40 0 JJABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000020494185 525177697 /nfs/dbraw/zinc/17/76/97/525177697.db2.gz PDSATCWXWAGENS-MHZLTWQESA-N 0 0 476.642 4.751 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O ZINC000022432127 525216560 /nfs/dbraw/zinc/21/65/60/525216560.db2.gz CPDZHZHSRPDDHL-UHFFFAOYSA-N 0 0 478.614 4.928 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000020493651 525216644 /nfs/dbraw/zinc/21/66/44/525216644.db2.gz XDPCPWZLRYVZBP-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020456805 525217572 /nfs/dbraw/zinc/21/75/72/525217572.db2.gz QAUJSAYBYJRHMT-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c(Cl)c1 ZINC000040399502 525218871 /nfs/dbraw/zinc/21/88/71/525218871.db2.gz REMRBUXUGRCEDG-ZDUSSCGKSA-N 0 0 492.750 4.847 40 0 JJABRN C[C@]1(C(=O)c2ccc(F)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)c1cc2ccccc2oc1=O ZINC000014944517 525234143 /nfs/dbraw/zinc/23/41/43/525234143.db2.gz GLZXPHLGBVQQOD-ZGOJTZKKSA-N 0 0 468.436 4.707 40 0 JJABRN C[C@]1(C(=O)c2ccc(Br)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)NC1CCCCC1 ZINC000014943517 525235295 /nfs/dbraw/zinc/23/52/95/525235295.db2.gz YYZIPSIJIQSPFK-AMDXRBSFSA-N 0 0 482.374 4.790 40 0 JJABRN Cc1ccccc1Nc1nc([C@@]2(C)C[C@@]3(C[C@H](COCCC(C)C)OC3=O)C(=O)O2)cs1 ZINC000002307862 525276391 /nfs/dbraw/zinc/27/63/91/525276391.db2.gz FCPXXDZAISHDDM-UOKFIYJESA-N 0 0 458.580 4.722 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)cc1C ZINC000044900057 525294972 /nfs/dbraw/zinc/29/49/72/525294972.db2.gz QKRZSBFDXYYBPM-UHFFFAOYSA-N 0 0 477.586 4.792 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)cc1C ZINC000020456366 525295967 /nfs/dbraw/zinc/29/59/67/525295967.db2.gz YJELTMVXRCDVCW-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2C)cc1 ZINC000022522293 525297056 /nfs/dbraw/zinc/29/70/56/525297056.db2.gz MWWQATCNOYFWFH-UHFFFAOYSA-N 0 0 452.576 4.821 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000016293282 525302763 /nfs/dbraw/zinc/30/27/63/525302763.db2.gz SUJAFNSLSOUBIO-UHFFFAOYSA-N 0 0 478.614 4.656 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020450674 525305289 /nfs/dbraw/zinc/30/52/89/525305289.db2.gz GQKSEXNCCPFKJK-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430796 525305320 /nfs/dbraw/zinc/30/53/20/525305320.db2.gz JFOUFVHROZXALR-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000044901296 525314909 /nfs/dbraw/zinc/31/49/09/525314909.db2.gz BJHMWRWBHFRSGV-INIZCTEOSA-N 0 0 458.967 4.949 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000022510573 525315481 /nfs/dbraw/zinc/31/54/81/525315481.db2.gz VIBJXBNQRBPUDZ-INIZCTEOSA-N 0 0 488.993 4.957 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935939 525346425 /nfs/dbraw/zinc/34/64/25/525346425.db2.gz LDSYJEMSPDHVAO-QFIPXVFZSA-N 0 0 458.967 4.739 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000020490460 525348429 /nfs/dbraw/zinc/34/84/29/525348429.db2.gz IKUGYMOYTPWKDM-QHCPKHFHSA-N 0 0 454.592 4.518 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044899997 525369102 /nfs/dbraw/zinc/36/91/02/525369102.db2.gz QQPRRLAFWZHBMM-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 ZINC000044903562 525371090 /nfs/dbraw/zinc/37/10/90/525371090.db2.gz LYICMCNZTFLWMG-IAPPQJPRSA-N 0 0 490.669 4.875 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000020490060 525500932 /nfs/dbraw/zinc/50/09/32/525500932.db2.gz AEARWFUGAPDYQN-UHFFFAOYSA-N 0 0 452.576 4.537 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000020482646 525504027 /nfs/dbraw/zinc/50/40/27/525504027.db2.gz YFFJUYRPVQBVJL-UHFFFAOYSA-N 0 0 454.514 4.610 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(Cl)c2)cc1 ZINC000020110156 525504504 /nfs/dbraw/zinc/50/45/04/525504504.db2.gz AQXMSRSRXKKHJS-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000013674530 525505267 /nfs/dbraw/zinc/50/52/67/525505267.db2.gz ZQVFPFFHQWSEJU-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)Cc2cccc(C)c2)cc1 ZINC000022535962 525507589 /nfs/dbraw/zinc/50/75/89/525507589.db2.gz VYLUVNBPPLBYAB-FQEVSTJZSA-N 0 0 454.567 4.511 40 0 JJABRN COc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012497779 525508205 /nfs/dbraw/zinc/50/82/05/525508205.db2.gz WNZTVENKKADVOV-UHFFFAOYSA-N 0 0 491.389 4.728 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccccc3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448659 525517365 /nfs/dbraw/zinc/51/73/65/525517365.db2.gz SCJVXCHJVSCROA-QGZVFWFLSA-N 0 0 454.979 4.752 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449512 525520256 /nfs/dbraw/zinc/52/02/56/525520256.db2.gz HBRHWBVRHZLETL-CQSZACIVSA-N 0 0 489.366 4.980 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(NC4CCCCC4)n3)CC2)cc1 ZINC000095079723 525545704 /nfs/dbraw/zinc/54/57/04/525545704.db2.gz KSYCIFVDTYWRCJ-OAQYLSRUSA-N 0 0 493.677 4.750 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(c4ccccc4NC3=O)[C@@H]2Cc2ccc(C)c(C)c2)cc1 ZINC000005742829 525549591 /nfs/dbraw/zinc/54/95/91/525549591.db2.gz BBNISBDVXZASLV-AHKZPQOWSA-N 0 0 460.599 4.508 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)C(F)(F)F)s1 ZINC000012492284 525678308 /nfs/dbraw/zinc/67/83/08/525678308.db2.gz UJZIZCQYCGYMAL-FQEVSTJZSA-N 0 0 482.524 4.866 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020495494 525713751 /nfs/dbraw/zinc/71/37/51/525713751.db2.gz JESVAZRUPPSCEO-AEFFLSMTSA-N 0 0 469.434 4.721 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020451112 525769043 /nfs/dbraw/zinc/76/90/43/525769043.db2.gz MHPLUJDTGFOQMG-QHCPKHFHSA-N 0 0 476.520 4.686 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044947725 525769169 /nfs/dbraw/zinc/76/91/69/525769169.db2.gz BGLDBOIUBWTVQH-MHZLTWQESA-N 0 0 458.583 4.820 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c2ccccc2)cc1 ZINC000020451363 525770746 /nfs/dbraw/zinc/77/07/46/525770746.db2.gz CNJAKCLNFOMOFU-NSOVKSMOSA-N 0 0 498.604 4.857 40 0 JJABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccc(-n5cccn5)cc4)cc3N2)cc1 ZINC000002807611 525844284 /nfs/dbraw/zinc/84/42/84/525844284.db2.gz CFTADWVZMPWGSR-UNMCSNQZSA-N 0 0 480.494 4.968 40 0 JJABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2N)cc1 ZINC000016755742 525856250 /nfs/dbraw/zinc/85/62/50/525856250.db2.gz NHOHGKJBBQOMCB-UHFFFAOYSA-N 0 0 475.418 4.736 40 0 JJABRN Cc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCCc4ccc(Cl)cc4)cc23)cc1 ZINC000021867241 525867247 /nfs/dbraw/zinc/86/72/47/525867247.db2.gz ONVPOLZNDAUJAV-UHFFFAOYSA-N 0 0 457.921 4.584 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2cccc(F)c2)o1 ZINC000013505671 525874277 /nfs/dbraw/zinc/87/42/77/525874277.db2.gz VHAVIKGAQMJXAD-RUZDIDTESA-N 0 0 496.539 4.576 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428579 525888523 /nfs/dbraw/zinc/88/85/23/525888523.db2.gz FABYICINNYHMEX-SFHVURJKSA-N 0 0 487.419 4.830 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(C)c1 ZINC000044901965 525906892 /nfs/dbraw/zinc/90/68/92/525906892.db2.gz QFWORQXOJKAFQL-UUOWRZLLSA-N 0 0 485.005 4.791 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020451114 525963733 /nfs/dbraw/zinc/96/37/33/525963733.db2.gz MHPLUJDTGFOQMG-HSZRJFAPSA-N 0 0 476.520 4.686 40 0 JJABRN Cc1ccc(/C=c2/s/c(=C\C(=O)c3cccc(Cl)c3)n(Cc3cccc(F)c3)c2=O)cc1 ZINC000033479974 525966054 /nfs/dbraw/zinc/96/60/54/525966054.db2.gz HKGKLTNNTBCBTD-KEBAUVPJSA-N 0 0 463.961 4.551 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044905099 525966420 /nfs/dbraw/zinc/96/64/20/525966420.db2.gz RYVKSFJQPYRTDX-PXDATVDWSA-N 0 0 450.604 4.672 40 0 JJABRN C[C@H]([C@@H](O)c1ccccc1)N1CC[C@H](N(C(=O)OCc2ccccc2)c2ccccc2)CC1=O ZINC000045076897 526020341 /nfs/dbraw/zinc/02/03/41/526020341.db2.gz HANSHLZNFNPMBN-NKPLSRDGSA-N 0 0 458.558 4.943 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000020492590 526051704 /nfs/dbraw/zinc/05/17/04/526051704.db2.gz VEEVBVBTHUHKLW-UHFFFAOYSA-N 0 0 484.643 4.951 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1Cl)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466992 526085031 /nfs/dbraw/zinc/08/50/31/526085031.db2.gz TVOQYCDXMHQKAK-XWGXUXJASA-N 0 0 498.067 4.609 40 0 biogenic,in-vitro JJABRN COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3cccs3)C2=O)c1 ZINC000020274358 526139646 /nfs/dbraw/zinc/13/96/46/526139646.db2.gz ZRHYRSRKBWKYSP-OAQYLSRUSA-N 0 0 483.977 4.819 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)c(OC)c1 ZINC000022821439 526215746 /nfs/dbraw/zinc/21/57/46/526215746.db2.gz XDEQTPCEKOFQIM-UHFFFAOYSA-N 0 0 499.976 4.745 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 ZINC000022713682 526216409 /nfs/dbraw/zinc/21/64/09/526216409.db2.gz XYPDOEXAWCXDRR-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN Cc1nn2c(nnc(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1-c1cccc2ccccc21 ZINC000013635717 526313495 /nfs/dbraw/zinc/31/34/95/526313495.db2.gz DCERDDULJIUOCE-UHFFFAOYSA-N 0 0 462.557 4.524 40 0 JJABRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044901102 526371587 /nfs/dbraw/zinc/37/15/87/526371587.db2.gz RXRCIDUQPQGNHP-UHFFFAOYSA-N 0 0 487.474 4.582 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495547 526373424 /nfs/dbraw/zinc/37/34/24/526373424.db2.gz NHBOPJGLMAUIRH-UHFFFAOYSA-N 0 0 478.998 4.943 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022528349 526374071 /nfs/dbraw/zinc/37/40/71/526374071.db2.gz QWZNGCNGRDNQLX-UHFFFAOYSA-N 0 0 478.998 4.943 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505633 526382373 /nfs/dbraw/zinc/38/23/73/526382373.db2.gz JAVHWSFSEOGULI-DEOSSOPVSA-N 0 0 494.617 4.592 40 0 JJABRN O=C(OCCOc1ccc(Cl)cc1Cl)C(=O)OCCOc1ccc(Cl)cc1Cl ZINC000004429746 526420139 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O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044903334 527154104 /nfs/dbraw/zinc/15/41/04/527154104.db2.gz JDUNXOAEJZTEAK-QGZVFWFLSA-N 0 0 499.858 4.716 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020487743 527174394 /nfs/dbraw/zinc/17/43/94/527174394.db2.gz GMSCREQDPXORHP-KRWDZBQOSA-N 0 0 455.407 4.607 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044849997 527182609 /nfs/dbraw/zinc/18/26/09/527182609.db2.gz GMKIZBQRAANVQO-UHFFFAOYSA-N 0 0 482.989 4.749 40 0 JJABRN O=C(Nc1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1)C(Cl)=C(Cl)Cl ZINC000033376797 527226564 /nfs/dbraw/zinc/22/65/64/527226564.db2.gz CJPPRNQRSAGXBK-UHFFFAOYSA-N 0 0 480.705 4.646 40 0 JJABRN O=C(Nc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020459545 527296416 /nfs/dbraw/zinc/29/64/16/527296416.db2.gz REYCJLGKIVZGCL-UHFFFAOYSA-N 0 0 487.419 4.783 40 0 JJABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)cc1 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/nfs/dbraw/zinc/37/84/22/555378422.db2.gz VITXIBONZPCADJ-UHFFFAOYSA-N 0 0 489.988 4.980 40 0 JJABRN CCOc1ccc(N(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013494335 555404174 /nfs/dbraw/zinc/40/41/74/555404174.db2.gz LCAXPTSCWOUUPT-QHCPKHFHSA-N 0 0 464.591 4.774 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494456 555404567 /nfs/dbraw/zinc/40/45/67/555404567.db2.gz FPHKRPNTESQLMW-QHCPKHFHSA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495280 555407163 /nfs/dbraw/zinc/40/71/63/555407163.db2.gz HWEKMNBGZIQNDX-RUZDIDTESA-N 0 0 497.578 4.559 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495670 555408744 /nfs/dbraw/zinc/40/87/44/555408744.db2.gz OMWLZYGYCMNECS-HSZRJFAPSA-N 0 0 478.597 4.805 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495766 555409127 /nfs/dbraw/zinc/40/91/27/555409127.db2.gz RTULHORYXGNWEL-HSZRJFAPSA-N 0 0 474.590 4.679 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495848 555409927 /nfs/dbraw/zinc/40/99/27/555409927.db2.gz VQUXZRPLTOOJML-AREMUKBSSA-N 0 0 496.615 4.969 40 0 JJABRN Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496469 555411987 /nfs/dbraw/zinc/41/19/87/555411987.db2.gz ZPHXXJKBDJCCDO-AREMUKBSSA-N 0 0 495.656 4.746 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497660 555414282 /nfs/dbraw/zinc/41/42/82/555414282.db2.gz LFMGBJXUGQTLRJ-QHCPKHFHSA-N 0 0 482.627 4.972 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)c1noc3c1CCc1cc(OC)ccc1-3)CCCC2 ZINC000009597956 555415304 /nfs/dbraw/zinc/41/53/04/555415304.db2.gz KUXSXVZCYKVEDC-UHFFFAOYSA-N 0 0 452.532 4.818 40 0 JJABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497779 555415354 /nfs/dbraw/zinc/41/53/54/555415354.db2.gz KYMPQBQUWRUTGF-RUZDIDTESA-N 0 0 463.603 4.918 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000013497818 555415421 /nfs/dbraw/zinc/41/54/21/555415421.db2.gz WQNYAFSIPJQBLG-DEOSSOPVSA-N 0 0 458.624 4.737 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497849 555415616 /nfs/dbraw/zinc/41/56/16/555415616.db2.gz NLSNMEOOOMWACR-RUZDIDTESA-N 0 0 482.602 4.730 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c(OC)c1 ZINC000013497851 555415645 /nfs/dbraw/zinc/41/56/45/555415645.db2.gz SVGGCWMEJMLGSU-AREMUKBSSA-N 0 0 493.629 4.532 40 0 JJABRN CCOCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(CC)cc1 ZINC000013498273 555419523 /nfs/dbraw/zinc/41/95/23/555419523.db2.gz INALSVOBDSNCMJ-RUZDIDTESA-N 0 0 456.652 4.908 40 0 JJABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498521 555421436 /nfs/dbraw/zinc/42/14/36/555421436.db2.gz KFVXNDSBXOYGSF-ZCYQVOJMSA-N 0 0 478.641 4.707 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498612 555422424 /nfs/dbraw/zinc/42/24/24/555422424.db2.gz OVHGJZVZDLQSIH-RUZDIDTESA-N 0 0 488.636 4.720 40 0 JJABRN CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000013498783 555424846 /nfs/dbraw/zinc/42/48/46/555424846.db2.gz LIKGROKFXDJIQG-DEOSSOPVSA-N 0 0 494.640 4.573 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499000 555427325 /nfs/dbraw/zinc/42/73/25/555427325.db2.gz LQWYOVGGGXHAEW-HSZRJFAPSA-N 0 0 462.598 4.879 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499156 555428859 /nfs/dbraw/zinc/42/88/59/555428859.db2.gz OVYIFUVEUVIILD-AREMUKBSSA-N 0 0 497.603 4.567 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499204 555429204 /nfs/dbraw/zinc/42/92/04/555429204.db2.gz YVQWPWUWFIOGOD-RUZDIDTESA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@H](c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499597 555433523 /nfs/dbraw/zinc/43/35/23/555433523.db2.gz MJLGWOYINJCZNW-AREMUKBSSA-N 0 0 488.636 4.630 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc5c(c4)OCCO5)n21)CC[C@H](C)C3 ZINC000013499848 555435058 /nfs/dbraw/zinc/43/50/58/555435058.db2.gz ZEYFUPPQBZIHBS-ZDUSSCGKSA-N 0 0 480.615 4.772 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)n21)CC[C@H](C)C3 ZINC000013499858 555435071 /nfs/dbraw/zinc/43/50/71/555435071.db2.gz JXDANEHWXOPXHJ-ZDUSSCGKSA-N 0 0 494.646 4.715 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500174 555437254 /nfs/dbraw/zinc/43/72/54/555437254.db2.gz QXLJBPATFHNSTE-QHCPKHFHSA-N 0 0 466.630 4.954 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500403 555439635 /nfs/dbraw/zinc/43/96/35/555439635.db2.gz LBMKNRJQXLLTQD-UPVQGACJSA-N 0 0 480.657 4.655 40 0 JJABRN Cc1cccc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500383 555439776 /nfs/dbraw/zinc/43/97/76/555439776.db2.gz RWVCMBZJEHBZEB-ZCYQVOJMSA-N 0 0 478.641 4.707 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500433 555440101 /nfs/dbraw/zinc/44/01/01/555440101.db2.gz CPHKKYVLJLXPNQ-QHCPKHFHSA-N 0 0 462.598 4.961 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500793 555444046 /nfs/dbraw/zinc/44/40/46/555444046.db2.gz IULVWCWWUAZONI-DQEYMECFSA-N 0 0 486.620 4.546 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500846 555444353 /nfs/dbraw/zinc/44/43/53/555444353.db2.gz FRFZPFTVXRHRRQ-XMMPIXPASA-N 0 0 473.625 4.907 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500889 555444926 /nfs/dbraw/zinc/44/49/26/555444926.db2.gz AVQLVFWNECUYQN-GOTSBHOMSA-N 0 0 480.657 4.799 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501109 555447657 /nfs/dbraw/zinc/44/76/57/555447657.db2.gz QPOXAOAWSLTRRQ-VWLOTQADSA-N 0 0 486.620 4.776 40 0 JJABRN CC(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 ZINC000013501378 555449232 /nfs/dbraw/zinc/44/92/32/555449232.db2.gz OAOPXFDRJNMQCK-SANMLTNESA-N 0 0 493.007 4.748 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2ccc(C)cc2)cc1 ZINC000013501406 555449654 /nfs/dbraw/zinc/44/96/54/555449654.db2.gz OBQPADCGULZUIN-MHZLTWQESA-N 0 0 472.589 4.716 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)C2CCCCC2)cc1 ZINC000013501418 555449668 /nfs/dbraw/zinc/44/96/68/555449668.db2.gz LBWVOSXADRZXOM-SANMLTNESA-N 0 0 464.610 4.536 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013501451 555449832 /nfs/dbraw/zinc/44/98/32/555449832.db2.gz QYFJDAYFBRATJV-AREMUKBSSA-N 0 0 490.579 4.937 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1 ZINC000013501459 555449888 /nfs/dbraw/zinc/44/98/88/555449888.db2.gz AJDLNTYRRYVILC-DEOSSOPVSA-N 0 0 485.028 4.881 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501753 555451214 /nfs/dbraw/zinc/45/12/14/555451214.db2.gz UAGNJNDOLIGRFV-HSZRJFAPSA-N 0 0 482.581 4.608 40 0 JJABRN CCc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501755 555451261 /nfs/dbraw/zinc/45/12/61/555451261.db2.gz JEGYIPXYABKKSW-DEOSSOPVSA-N 0 0 496.608 4.862 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C)c(C)c2)cc1 ZINC000013502054 555452474 /nfs/dbraw/zinc/45/24/74/555452474.db2.gz KFOGLLDGLBSNJW-UHFFFAOYSA-N 0 0 493.614 4.844 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013502065 555452492 /nfs/dbraw/zinc/45/24/92/555452492.db2.gz JIIZQMVHFGXHET-HSZRJFAPSA-N 0 0 477.586 4.767 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502064 555452502 /nfs/dbraw/zinc/45/25/02/555452502.db2.gz CFDRUGXGSBXPRX-XMMPIXPASA-N 0 0 477.586 4.704 40 0 JJABRN COc1ccc(NC(=O)c2ccc(C)cc2)cc1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000013502059 555452566 /nfs/dbraw/zinc/45/25/66/555452566.db2.gz WDBACDNTCJAONR-UHFFFAOYSA-N 0 0 493.614 4.844 40 0 JJABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccnc1 ZINC000013502104 555452854 /nfs/dbraw/zinc/45/28/54/555452854.db2.gz YUEVCVLAZGPFGW-VWLOTQADSA-N 0 0 458.562 4.712 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c(OC)c1 ZINC000013502205 555453624 /nfs/dbraw/zinc/45/36/24/555453624.db2.gz LHPWLRJZUOALBI-RUZDIDTESA-N 0 0 477.561 4.524 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)c2ccccn2)c1 ZINC000013502246 555453913 /nfs/dbraw/zinc/45/39/13/555453913.db2.gz IYPJVRMWZNKQRZ-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502301 555454113 /nfs/dbraw/zinc/45/41/13/555454113.db2.gz HEBDFTJXSBCXJV-VWLOTQADSA-N 0 0 489.547 4.844 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1F ZINC000013502510 555455671 /nfs/dbraw/zinc/45/56/71/555455671.db2.gz AZYMTNFGYREPGZ-MHZLTWQESA-N 0 0 497.530 4.563 40 0 JJABRN C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)Nc5nccs5)nnc4c23)C1 ZINC000013502601 555456118 /nfs/dbraw/zinc/45/61/18/555456118.db2.gz KBXUHPOGANXSRL-JTQLQIEISA-N 0 0 456.622 4.529 40 0 JJABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)c1 ZINC000013503707 555461607 /nfs/dbraw/zinc/46/16/07/555461607.db2.gz IGZPFCKWHSCFRB-UHFFFAOYSA-N 0 0 490.526 4.610 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)no1 ZINC000013505758 555468047 /nfs/dbraw/zinc/46/80/47/555468047.db2.gz WTHIMMODSLMLBG-SANMLTNESA-N 0 0 492.551 4.674 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@H](C(=O)NC2CCCC2)c2ccccc2F)no1 ZINC000013505752 555468092 /nfs/dbraw/zinc/46/80/92/555468092.db2.gz XPGDBRXHBFKMGA-VWLOTQADSA-N 0 0 486.588 4.516 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013505808 555468289 /nfs/dbraw/zinc/46/82/89/555468289.db2.gz CPWNWOLVGHUUMR-DEOSSOPVSA-N 0 0 489.016 4.784 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)o1 ZINC000013506013 555469315 /nfs/dbraw/zinc/46/93/15/555469315.db2.gz UQDNQUHRSZGMRK-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)o1 ZINC000013506018 555469322 /nfs/dbraw/zinc/46/93/22/555469322.db2.gz WGZDXVRRLPRGDI-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2C)o1 ZINC000013506021 555469327 /nfs/dbraw/zinc/46/93/27/555469327.db2.gz AZEDURANTFWENB-RUZDIDTESA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)c(C)c2)o1 ZINC000013506025 555469342 /nfs/dbraw/zinc/46/93/42/555469342.db2.gz JHXRMGQQYSVTIR-RUZDIDTESA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CNC(=O)c1cccs1 ZINC000013506203 555470262 /nfs/dbraw/zinc/47/02/62/555470262.db2.gz OUTIKYHRQAWTOK-AREMUKBSSA-N 0 0 489.641 4.615 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(F)c2)cc1 ZINC000013506227 555470287 /nfs/dbraw/zinc/47/02/87/555470287.db2.gz DSVLCRUJLMQCDK-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013506372 555471155 /nfs/dbraw/zinc/47/11/55/555471155.db2.gz VVSHKPQHUHTQFX-RUZDIDTESA-N 0 0 493.604 4.840 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2F)o1 ZINC000013506378 555471353 /nfs/dbraw/zinc/47/13/53/555471353.db2.gz DKGAWXHPPOADHK-XMMPIXPASA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)o1 ZINC000013506390 555471364 /nfs/dbraw/zinc/47/13/64/555471364.db2.gz SKKNGSCXXCHLKX-HSZRJFAPSA-N 0 0 499.658 4.660 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1C ZINC000013506436 555471585 /nfs/dbraw/zinc/47/15/85/555471585.db2.gz BFBGDBPNVPYAIV-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1C ZINC000013506433 555471603 /nfs/dbraw/zinc/47/16/03/555471603.db2.gz LSJKXJIQILLCLV-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000013506486 555471826 /nfs/dbraw/zinc/47/18/26/555471826.db2.gz KQJUKVVFPZQUKV-RUZDIDTESA-N 0 0 493.629 4.598 40 0 JJABRN O=C(NCC(=O)N(c1ccc(F)c(Cl)c1)[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccco1 ZINC000013506805 555473907 /nfs/dbraw/zinc/47/39/07/555473907.db2.gz HGTLDEPRCIQLEW-XMMPIXPASA-N 0 0 497.954 4.635 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013506893 555474396 /nfs/dbraw/zinc/47/43/96/555474396.db2.gz CKVBGGFRRKWVRL-HHHXNRCGSA-N 0 0 487.600 4.768 40 0 JJABRN O=C(NCC(=O)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F)c1ccco1 ZINC000013506972 555474669 /nfs/dbraw/zinc/47/46/69/555474669.db2.gz KZNSHHATLBUFHS-DEOSSOPVSA-N 0 0 497.954 4.635 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013507012 555474786 /nfs/dbraw/zinc/47/47/86/555474786.db2.gz XLGIDSBQTFIZNT-AREMUKBSSA-N 0 0 491.563 4.544 40 0 JJABRN CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507040 555475149 /nfs/dbraw/zinc/47/51/49/555475149.db2.gz XMJZHYMKHOAVIZ-AREMUKBSSA-N 0 0 491.588 4.555 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507484 555476251 /nfs/dbraw/zinc/47/62/51/555476251.db2.gz MJUKVIIQUICBGG-SANMLTNESA-N 0 0 491.563 4.680 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000013507718 555476761 /nfs/dbraw/zinc/47/67/61/555476761.db2.gz SSIITABKEPLBCS-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 ZINC000013507737 555476985 /nfs/dbraw/zinc/47/69/85/555476985.db2.gz SMMFHQLQJFACLV-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN CC1CCN(C(=O)Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000013562568 555497081 /nfs/dbraw/zinc/49/70/81/555497081.db2.gz YADUTOFLOOHLKG-UHFFFAOYSA-N 0 0 474.989 4.818 40 0 JJABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1OC ZINC000009780585 555499986 /nfs/dbraw/zinc/49/99/86/555499986.db2.gz GXYUYUIGJVFVCE-WMHILYHISA-N 0 0 490.482 4.866 40 0 JJABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000013565027 555500599 /nfs/dbraw/zinc/50/05/99/555500599.db2.gz QYOOSJKXCWORHX-UHFFFAOYSA-N 0 0 463.465 4.504 40 0 JJABRN O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc2c(c1)CC(=O)N2 ZINC000013566468 555503232 /nfs/dbraw/zinc/50/32/32/555503232.db2.gz JSPLQJOHZRLELK-UHFFFAOYSA-N 0 0 450.570 4.798 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000019856118 555513913 /nfs/dbraw/zinc/51/39/13/555513913.db2.gz OKGYFQBQSSDQHE-UHFFFAOYSA-N 0 0 498.576 4.863 40 0 JJABRN COc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000019856563 555516306 /nfs/dbraw/zinc/51/63/06/555516306.db2.gz QNUBGOPGLDRFEC-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019856591 555516571 /nfs/dbraw/zinc/51/65/71/555516571.db2.gz UXYGZJLNFFIEKF-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN COc1cccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000019856606 555516587 /nfs/dbraw/zinc/51/65/87/555516587.db2.gz KXVJEJVBJKCNKQ-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN COc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)c(OC)c1OC ZINC000009804805 555516639 /nfs/dbraw/zinc/51/66/39/555516639.db2.gz YMDHIDWQAVDBPK-SFHVURJKSA-N 0 0 491.367 4.552 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856904 555517954 /nfs/dbraw/zinc/51/79/54/555517954.db2.gz BJXBTLGWUZGVCL-UHFFFAOYSA-N 0 0 454.617 4.651 40 0 JJABRN CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019856957 555518297 /nfs/dbraw/zinc/51/82/97/555518297.db2.gz WAGIXAPHXNGUJQ-UHFFFAOYSA-N 0 0 499.592 4.694 40 0 JJABRN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581275 555519530 /nfs/dbraw/zinc/51/95/30/555519530.db2.gz DVCZFVVWXCLISC-UHFFFAOYSA-N 0 0 474.579 4.635 40 0 JJABRN COc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(N(C)S(C)(=O)=O)cc1OC ZINC000013582715 555520438 /nfs/dbraw/zinc/52/04/38/555520438.db2.gz BHWUMJDHLBIBTM-UHFFFAOYSA-N 0 0 490.965 4.798 40 0 JJABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019867511 555521728 /nfs/dbraw/zinc/52/17/28/555521728.db2.gz LZZUVQWDOSBRTO-UHFFFAOYSA-N 0 0 493.503 4.505 40 0 JJABRN CC(C)CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584493 555522128 /nfs/dbraw/zinc/52/21/28/555522128.db2.gz OOBWPZKRDXRGSG-UHFFFAOYSA-N 0 0 481.437 4.875 40 0 JJABRN CCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584568 555522407 /nfs/dbraw/zinc/52/24/07/555522407.db2.gz GVXSLXJDCXCMLA-UHFFFAOYSA-N 0 0 467.410 4.629 40 0 JJABRN Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)ccc1Br ZINC000019868374 555522782 /nfs/dbraw/zinc/52/27/82/555522782.db2.gz KEPKFLVXGUENTF-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000013585129 555523131 /nfs/dbraw/zinc/52/31/31/555523131.db2.gz KJTIBGCHROLIQC-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000013585133 555523173 /nfs/dbraw/zinc/52/31/73/555523173.db2.gz UJEXPVJQYYCBBO-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585309 555523435 /nfs/dbraw/zinc/52/34/35/555523435.db2.gz RKAHVBAHKJSTTG-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(N(CC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000013585344 555523450 /nfs/dbraw/zinc/52/34/50/555523450.db2.gz UCESVBUJDBDNTB-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN COc1cc(C(=O)Oc2cc(-c3ccccc3)nn2-c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000013611100 555534465 /nfs/dbraw/zinc/53/44/65/555534465.db2.gz MNTVUFJXROEVAK-UHFFFAOYSA-N 0 0 470.485 4.661 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 ZINC000013612269 555534817 /nfs/dbraw/zinc/53/48/17/555534817.db2.gz LZBTXDRBDNBASQ-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013632139 555541790 /nfs/dbraw/zinc/54/17/90/555541790.db2.gz YKMWYKHJNMRPAA-AWEZNQCLSA-N 0 0 457.423 4.934 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013632839 555542502 /nfs/dbraw/zinc/54/25/02/555542502.db2.gz YSGGQYQZMQDPLY-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN COc1cc2c(cc1OC)n(Cc1cccc(Cl)c1)c(=O)n(-c1ccc(Cl)cc1)c2=O ZINC000013634635 555544366 /nfs/dbraw/zinc/54/43/66/555544366.db2.gz OWPWWVXCVBJRBA-UHFFFAOYSA-N 0 0 457.313 4.525 40 0 JJABRN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930185 555547528 /nfs/dbraw/zinc/54/75/28/555547528.db2.gz HVXIRIPJRGWJCG-UHFFFAOYSA-N 0 0 485.311 4.670 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000019930736 555547695 /nfs/dbraw/zinc/54/76/95/555547695.db2.gz JLSZZGGRXDNZSG-UHFFFAOYSA-N 0 0 482.989 4.583 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 ZINC000019930738 555547780 /nfs/dbraw/zinc/54/77/80/555547780.db2.gz XWDHTJFTPSRDBF-UHFFFAOYSA-N 0 0 461.587 4.826 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000019932862 555550356 /nfs/dbraw/zinc/55/03/56/555550356.db2.gz IOZZDNXAROCGJR-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2Cl)cc1 ZINC000013648163 555552674 /nfs/dbraw/zinc/55/26/74/555552674.db2.gz SHSIJVPLXQJIRK-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935707 555552970 /nfs/dbraw/zinc/55/29/70/555552970.db2.gz RIQVTPYPKZMGGQ-UHFFFAOYSA-N 0 0 450.841 4.535 40 0 JJABRN CCc1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935915 555553149 /nfs/dbraw/zinc/55/31/49/555553149.db2.gz ZAOYVTCSPQOWGL-DEOSSOPVSA-N 0 0 452.576 4.648 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936013 555553484 /nfs/dbraw/zinc/55/34/84/555553484.db2.gz NLJYTNDJPGYIBY-JOCHJYFZSA-N 0 0 476.957 4.878 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3F)cc2C)cc1 ZINC000013649072 555553505 /nfs/dbraw/zinc/55/35/05/555553505.db2.gz YAMTWLHHWKGIQZ-UHFFFAOYSA-N 0 0 472.607 4.907 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000013649454 555553731 /nfs/dbraw/zinc/55/37/31/555553731.db2.gz OCMHFBUHEVBMSB-IBGZPJMESA-N 0 0 472.651 4.904 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c(C)c1 ZINC000013649458 555553801 /nfs/dbraw/zinc/55/38/01/555553801.db2.gz OZXOBZUERTZIRV-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2cc(F)ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936311 555554338 /nfs/dbraw/zinc/55/43/38/555554338.db2.gz DBLGMNQRDIHHQC-QHCPKHFHSA-N 0 0 456.539 4.533 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000019937835 555554559 /nfs/dbraw/zinc/55/45/59/555554559.db2.gz UAKQEXKWXCIAGP-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013668643 555557790 /nfs/dbraw/zinc/55/77/90/555557790.db2.gz ZOOZWPOQEXVCJH-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000013668649 555557812 /nfs/dbraw/zinc/55/78/12/555557812.db2.gz LGUFNIVPLPLTAO-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 ZINC000013669273 555559040 /nfs/dbraw/zinc/55/90/40/555559040.db2.gz WUZLJWAHZASJCR-UHFFFAOYSA-N 0 0 480.630 4.592 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013669638 555559615 /nfs/dbraw/zinc/55/96/15/555559615.db2.gz OPWKZDPJBOTKBX-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013669900 555560288 /nfs/dbraw/zinc/56/02/88/555560288.db2.gz HROXMSPWJHAFFT-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N(CC)Cc3ccccc3)cc2c1 ZINC000019941380 555560302 /nfs/dbraw/zinc/56/03/02/555560302.db2.gz WGHLTQOFHLNRMH-MHZLTWQESA-N 0 0 496.590 4.876 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670129 555560462 /nfs/dbraw/zinc/56/04/62/555560462.db2.gz PEZHLXYWDJZGDN-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 ZINC000013670311 555560768 /nfs/dbraw/zinc/56/07/68/555560768.db2.gz CIEFPMVDRJARFA-XMMPIXPASA-N 0 0 464.543 4.791 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 ZINC000013670310 555560805 /nfs/dbraw/zinc/56/08/05/555560805.db2.gz CIEFPMVDRJARFA-DEOSSOPVSA-N 0 0 464.543 4.791 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670378 555561031 /nfs/dbraw/zinc/56/10/31/555561031.db2.gz PJPXBPZEGVHWGV-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN Cc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013670622 555561280 /nfs/dbraw/zinc/56/12/80/555561280.db2.gz YVWPDERVLKPRMY-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000013671481 555563141 /nfs/dbraw/zinc/56/31/41/555563141.db2.gz RWMXOASXMOWPEE-SFHVURJKSA-N 0 0 458.624 4.658 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947578 555563882 /nfs/dbraw/zinc/56/38/82/555563882.db2.gz ILTYZLGGEUOVQR-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013672731 555564273 /nfs/dbraw/zinc/56/42/73/555564273.db2.gz XWYSLOZQJCTJFM-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000013673454 555565116 /nfs/dbraw/zinc/56/51/16/555565116.db2.gz VOABTBVABFUYHG-UHFFFAOYSA-N 0 0 484.599 4.663 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000013673907 555565493 /nfs/dbraw/zinc/56/54/93/555565493.db2.gz BIHQVHOVLMYBGW-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000013674843 555566057 /nfs/dbraw/zinc/56/60/57/555566057.db2.gz HKPITYOCEFHNGS-UHFFFAOYSA-N 0 0 479.042 4.666 40 0 JJABRN CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013674936 555566111 /nfs/dbraw/zinc/56/61/11/555566111.db2.gz KNKSRZBWXKBUTK-SFHVURJKSA-N 0 0 485.005 4.912 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000013676419 555567205 /nfs/dbraw/zinc/56/72/05/555567205.db2.gz PMIOEJMSBVLIRI-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013676325 555567217 /nfs/dbraw/zinc/56/72/17/555567217.db2.gz SZEBGQNNQVBBJU-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013676150 555567320 /nfs/dbraw/zinc/56/73/20/555567320.db2.gz RVHYQEYJYKELGR-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676800 555567460 /nfs/dbraw/zinc/56/74/60/555567460.db2.gz SHQZNGAUBFXCJO-MRXNPFEDSA-N 0 0 471.406 4.573 40 0 JJABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013676803 555567514 /nfs/dbraw/zinc/56/75/14/555567514.db2.gz SHQZNGAUBFXCJO-INIZCTEOSA-N 0 0 471.406 4.573 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2C)cc1 ZINC000013676872 555567739 /nfs/dbraw/zinc/56/77/39/555567739.db2.gz LSGJCIRCOHJNJR-UHFFFAOYSA-N 0 0 477.630 4.683 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013677394 555568375 /nfs/dbraw/zinc/56/83/75/555568375.db2.gz ABMJZNPXESBAKS-CYBMUJFWSA-N 0 0 461.798 4.827 40 0 JJABRN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013678131 555569242 /nfs/dbraw/zinc/56/92/42/555569242.db2.gz ZGNWLWOLYJHKTA-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679793 555571575 /nfs/dbraw/zinc/57/15/75/555571575.db2.gz CVIJEPRCZBVDTI-CYBMUJFWSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013679786 555571601 /nfs/dbraw/zinc/57/16/01/555571601.db2.gz WRVLWTCAJMAVNM-UHFFFAOYSA-N 0 0 455.407 4.607 40 0 JJABRN CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000013679762 555571605 /nfs/dbraw/zinc/57/16/05/555571605.db2.gz MIVPEGISHIDXCT-UHFFFAOYSA-N 0 0 485.433 4.961 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013680003 555571974 /nfs/dbraw/zinc/57/19/74/555571974.db2.gz AKYSYOWUODRIAL-QFIPXVFZSA-N 0 0 456.951 4.552 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680887 555573534 /nfs/dbraw/zinc/57/35/34/555573534.db2.gz GFGKUBQNXCXPMS-ZDUSSCGKSA-N 0 0 491.824 4.836 40 0 JJABRN CCc1nn2c(nnc3c(=O)n(-c4ccc(Br)cc4)ccc32)c1-c1ccc(F)cc1 ZINC000019962736 555574023 /nfs/dbraw/zinc/57/40/23/555574023.db2.gz REAKBJFPZWZOJB-UHFFFAOYSA-N 0 0 464.298 4.559 40 0 JJABRN O=C(Nc1ccc2ccccc2c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681401 555574309 /nfs/dbraw/zinc/57/43/09/555574309.db2.gz GWBTWGQSQLEJIM-VWLOTQADSA-N 0 0 458.539 4.576 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000009973889 555575740 /nfs/dbraw/zinc/57/57/40/555575740.db2.gz NEICQMVKIPHYRT-KRWDZBQOSA-N 0 0 465.413 4.612 40 0 JJABRN COC(=O)c1c(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)sc2c1CCCC2 ZINC000013682588 555575814 /nfs/dbraw/zinc/57/58/14/555575814.db2.gz NDERXZYQWFIIFK-UHFFFAOYSA-N 0 0 499.054 4.560 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974025 555576786 /nfs/dbraw/zinc/57/67/86/555576786.db2.gz NSSQDUPJSLFHEN-SFHVURJKSA-N 0 0 479.440 4.613 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000013683223 555576834 /nfs/dbraw/zinc/57/68/34/555576834.db2.gz AYHPLGRLNZUCLZ-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013683792 555577540 /nfs/dbraw/zinc/57/75/40/555577540.db2.gz XIRFMSACIDZBPX-UHFFFAOYSA-N 0 0 463.715 4.643 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000020004407 555577749 /nfs/dbraw/zinc/57/77/49/555577749.db2.gz MERXKXNJEWMHPL-QHCPKHFHSA-N 0 0 450.604 4.757 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1Cl ZINC000009974715 555580242 /nfs/dbraw/zinc/58/02/42/555580242.db2.gz RUDWGFXGWLGIMW-QGZVFWFLSA-N 0 0 465.015 4.820 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020007302 555581873 /nfs/dbraw/zinc/58/18/73/555581873.db2.gz VCMJCYCXTAOUID-DEOSSOPVSA-N 0 0 480.630 4.875 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1C ZINC000020008868 555583640 /nfs/dbraw/zinc/58/36/40/555583640.db2.gz JNRFYGDZZALMGY-OAQYLSRUSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000020008874 555583661 /nfs/dbraw/zinc/58/36/61/555583661.db2.gz LRDIRXQYOHJQGB-OAQYLSRUSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020009644 555585467 /nfs/dbraw/zinc/58/54/67/555585467.db2.gz CYGJUMATRDEJEI-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020010960 555587014 /nfs/dbraw/zinc/58/70/14/555587014.db2.gz DDOWPEMKGADXNS-GOSISDBHSA-N 0 0 472.607 4.616 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011714 555587857 /nfs/dbraw/zinc/58/78/57/555587857.db2.gz BLQAQPNDEZYLFX-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012059 555588086 /nfs/dbraw/zinc/58/80/86/555588086.db2.gz UTYHFPXMCWVUPS-KRWDZBQOSA-N 0 0 490.984 4.556 40 0 JJABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000020012083 555588088 /nfs/dbraw/zinc/58/80/88/555588088.db2.gz RMMUUKBCHAOACM-UHFFFAOYSA-N 0 0 486.874 4.726 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2cccc(Cl)c2)cc1 ZINC000020012475 555588631 /nfs/dbraw/zinc/58/86/31/555588631.db2.gz MFLZBFXEUFVTEB-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013708628 555588852 /nfs/dbraw/zinc/58/88/52/555588852.db2.gz DMLNNRFJISWXRH-IBGZPJMESA-N 0 0 452.576 4.811 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020012756 555589206 /nfs/dbraw/zinc/58/92/06/555589206.db2.gz RJRYJINTYBMPNF-JOCHJYFZSA-N 0 0 480.630 4.689 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711690 555589249 /nfs/dbraw/zinc/58/92/49/555589249.db2.gz FEDLCMAYWPFHRD-JOCHJYFZSA-N 0 0 470.978 4.754 40 0 JJABRN CC[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712155 555589465 /nfs/dbraw/zinc/58/94/65/555589465.db2.gz KXVKIAZVGQWUEO-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020013471 555589729 /nfs/dbraw/zinc/58/97/29/555589729.db2.gz BDQIJNCBULUPAK-NRFANRHFSA-N 0 0 472.651 4.821 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712611 555590056 /nfs/dbraw/zinc/59/00/56/555590056.db2.gz LOWZQKJYUQBVDR-MRXNPFEDSA-N 0 0 480.211 4.939 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000020014211 555590356 /nfs/dbraw/zinc/59/03/56/555590356.db2.gz CVLWNQNWUIGBNM-UHFFFAOYSA-N 0 0 496.482 4.996 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000020014323 555590604 /nfs/dbraw/zinc/59/06/04/555590604.db2.gz HBOMMYHQNSCHER-UHFFFAOYSA-N 0 0 480.920 4.769 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713706 555591110 /nfs/dbraw/zinc/59/11/10/555591110.db2.gz WCSUWDXTAURZQU-KRWDZBQOSA-N 0 0 459.793 4.594 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 ZINC000010010282 555592244 /nfs/dbraw/zinc/59/22/44/555592244.db2.gz MGKHPWLZDHZPDE-UHFFFAOYSA-N 0 0 459.984 4.808 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000020016365 555592305 /nfs/dbraw/zinc/59/23/05/555592305.db2.gz QUESODIENHAVAO-GFCCVEGCSA-N 0 0 498.445 4.737 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nn12 ZINC000010010347 555592481 /nfs/dbraw/zinc/59/24/81/555592481.db2.gz WBHLGIJIEYMDAC-UHFFFAOYSA-N 0 0 478.361 4.748 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc(OCC(C)C)c4)c3)nn12 ZINC000010010319 555592534 /nfs/dbraw/zinc/59/25/34/555592534.db2.gz WICFTFLVTYBTMX-UHFFFAOYSA-N 0 0 451.552 4.711 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714908 555592582 /nfs/dbraw/zinc/59/25/82/555592582.db2.gz UPOQFMXMSOINTE-QFIPXVFZSA-N 0 0 492.041 4.540 40 0 JJABRN COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1Cl ZINC000010010387 555592593 /nfs/dbraw/zinc/59/25/93/555592593.db2.gz DFJPWUSRGIKYLM-UHFFFAOYSA-N 0 0 456.757 4.576 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715542 555593128 /nfs/dbraw/zinc/59/31/28/555593128.db2.gz ZXUXBWXQOZSNNX-LJQANCHMSA-N 0 0 493.453 4.727 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)cc1C ZINC000020017396 555593122 /nfs/dbraw/zinc/59/31/22/555593122.db2.gz LRKPAMRYTIOVID-HNNXBMFYSA-N 0 0 488.503 4.591 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000020019886 555596209 /nfs/dbraw/zinc/59/62/09/555596209.db2.gz ZMIJFHDNJPADRG-UHFFFAOYSA-N 0 0 482.455 4.971 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000020019900 555596258 /nfs/dbraw/zinc/59/62/58/555596258.db2.gz DUBKRFUZDPQBIG-INIZCTEOSA-N 0 0 489.391 4.506 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000020020234 555597000 /nfs/dbraw/zinc/59/70/00/555597000.db2.gz ORCLIPRNCXIMKH-SFHVURJKSA-N 0 0 470.616 4.774 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020021640 555598712 /nfs/dbraw/zinc/59/87/12/555598712.db2.gz LGDHTTGMUPMGNI-KRWDZBQOSA-N 0 0 465.015 4.516 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C ZINC000020022388 555599911 /nfs/dbraw/zinc/59/99/11/555599911.db2.gz KDRSNXBENKOPOA-KRWDZBQOSA-N 0 0 488.993 4.714 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000020022571 555600219 /nfs/dbraw/zinc/60/02/19/555600219.db2.gz OHKDCECJEOZTFV-HXUWFJFHSA-N 0 0 482.602 4.677 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N[C@@H]1CCCc2ccccc21 ZINC000020022801 555600603 /nfs/dbraw/zinc/60/06/03/555600603.db2.gz YKYKXKYBJNLDNH-HSZRJFAPSA-N 0 0 497.016 4.664 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 ZINC000020023981 555602075 /nfs/dbraw/zinc/60/20/75/555602075.db2.gz CJRGUWJMCGLGEQ-FQEVSTJZSA-N 0 0 482.671 4.740 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000020024278 555602395 /nfs/dbraw/zinc/60/23/95/555602395.db2.gz WGSWWNABGOCBMZ-LJQANCHMSA-N 0 0 482.602 4.623 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)ccc4OC)[C@@H]3C2=O)cc1 ZINC000013748418 555607798 /nfs/dbraw/zinc/60/77/98/555607798.db2.gz JSTRPIUJDBQWBQ-GSDHBNRESA-N 0 0 488.540 4.544 40 0 JJABRN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000013759672 555612533 /nfs/dbraw/zinc/61/25/33/555612533.db2.gz HNZPIYWRPAOGKF-VJBWXMMDSA-N 0 0 491.341 4.703 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000020039876 555613063 /nfs/dbraw/zinc/61/30/63/555613063.db2.gz DNFCGFAEBOXOQU-JOCHJYFZSA-N 0 0 467.006 4.597 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(Cl)c1 ZINC000020043195 555614769 /nfs/dbraw/zinc/61/47/69/555614769.db2.gz VTVZBQCCNXXJTP-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)c2ccc(F)cc2)cc1 ZINC000020045026 555615935 /nfs/dbraw/zinc/61/59/35/555615935.db2.gz BKXNBEUYNGKRQJ-VWLOTQADSA-N 0 0 484.593 4.996 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 ZINC000020046523 555617222 /nfs/dbraw/zinc/61/72/22/555617222.db2.gz ZXFWPDOPOXEZND-JOCHJYFZSA-N 0 0 493.467 4.567 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000020048044 555618294 /nfs/dbraw/zinc/61/82/94/555618294.db2.gz GUOXIJJYLDSXCU-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013786444 555619169 /nfs/dbraw/zinc/61/91/69/555619169.db2.gz GAZHQWQMDQVGHO-HJOGWXRNSA-N 0 0 478.932 4.717 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC ZINC000020050055 555619360 /nfs/dbraw/zinc/61/93/60/555619360.db2.gz AXQHHQHDZGCISN-UHFFFAOYSA-N 0 0 472.588 4.544 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110207 555619612 /nfs/dbraw/zinc/61/96/12/555619612.db2.gz GUEJOVCLIWDZKY-UHFFFAOYSA-N 0 0 450.604 4.502 40 0 JJABRN CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010110343 555619905 /nfs/dbraw/zinc/61/99/05/555619905.db2.gz JNQZQXPKOZGKAY-UHFFFAOYSA-N 0 0 468.644 4.986 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCCc1ccccc1 ZINC000010110256 555619943 /nfs/dbraw/zinc/61/99/43/555619943.db2.gz GKVWNPHKKUJZKH-UHFFFAOYSA-N 0 0 477.413 4.938 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010110472 555620213 /nfs/dbraw/zinc/62/02/13/555620213.db2.gz ZMEIXPMKEDQCGV-UHFFFAOYSA-N 0 0 471.022 4.977 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110429 555620253 /nfs/dbraw/zinc/62/02/53/555620253.db2.gz PMLFLFGXODZNBS-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010110660 555620578 /nfs/dbraw/zinc/62/05/78/555620578.db2.gz FPNZHMZQSSIHGY-UHFFFAOYSA-N 0 0 490.547 4.958 40 0 JJABRN COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010110666 555620607 /nfs/dbraw/zinc/62/06/07/555620607.db2.gz OBPVXWGRQQGGES-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000010110713 555620770 /nfs/dbraw/zinc/62/07/70/555620770.db2.gz SAENKJOVQLCYHM-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OCC)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013804045 555622661 /nfs/dbraw/zinc/62/26/61/555622661.db2.gz RSUPTSRMDPGAAO-ZNZIZOMTSA-N 0 0 472.541 4.925 40 0 JJABRN O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000020060847 555623671 /nfs/dbraw/zinc/62/36/71/555623671.db2.gz NUZXXMAPLZUSBQ-UHFFFAOYSA-N 0 0 495.782 4.921 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000020061191 555623969 /nfs/dbraw/zinc/62/39/69/555623969.db2.gz ZAARMZKVDBHIAX-UHFFFAOYSA-N 0 0 495.881 4.771 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 ZINC000010112342 555625251 /nfs/dbraw/zinc/62/52/51/555625251.db2.gz VCPDTYMLXPNOEK-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000010112410 555625739 /nfs/dbraw/zinc/62/57/39/555625739.db2.gz DRJAWNOAHHHKKR-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000010112664 555626016 /nfs/dbraw/zinc/62/60/16/555626016.db2.gz 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ZINC000010127391 555633623 /nfs/dbraw/zinc/63/36/23/555633623.db2.gz SDUKEMBYSCUMDO-RMKNXTFCSA-N 0 0 493.416 4.761 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128646 555634158 /nfs/dbraw/zinc/63/41/58/555634158.db2.gz FHJBECWNPFFKLC-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128648 555634230 /nfs/dbraw/zinc/63/42/30/555634230.db2.gz FHJBECWNPFFKLC-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000010132990 555635847 /nfs/dbraw/zinc/63/58/47/555635847.db2.gz RVZQLKHIMFAHRQ-UHFFFAOYSA-N 0 0 451.379 4.553 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(OC)cc1 ZINC000020104384 555636575 /nfs/dbraw/zinc/63/65/75/555636575.db2.gz JEIUEEZFUCKBMU-JOCHJYFZSA-N 0 0 465.015 4.794 40 0 JJABRN CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010146578 555636983 /nfs/dbraw/zinc/63/69/83/555636983.db2.gz IFLQTFQIHOLWPZ-FQEVSTJZSA-N 0 0 461.008 4.590 40 0 JJABRN CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000013879605 555638208 /nfs/dbraw/zinc/63/82/08/555638208.db2.gz ZJDSMMHFABVZNT-UHFFFAOYSA-N 0 0 460.987 4.887 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000020106874 555640571 /nfs/dbraw/zinc/64/05/71/555640571.db2.gz QMEQZEXJTULVFK-RUZDIDTESA-N 0 0 482.602 4.557 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1 ZINC000020107502 555641245 /nfs/dbraw/zinc/64/12/45/555641245.db2.gz NVAWWSOESYSGPP-DEOSSOPVSA-N 0 0 496.629 4.783 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000020112332 555649628 /nfs/dbraw/zinc/64/96/28/555649628.db2.gz PRJUKQFJXAWAAX-LJQANCHMSA-N 0 0 452.576 4.994 40 0 JJABRN Cn1c2nc3n(c2c(=O)n(Cc2ccc(Cl)cc2)c1=O)CCN3c1ccc(Oc2ccccc2)cc1 ZINC000010249693 555660630 /nfs/dbraw/zinc/66/06/30/555660630.db2.gz ZEDSVDXTYUFMIM-UHFFFAOYSA-N 0 0 499.958 4.542 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc(OCC)c1OCC ZINC000020143422 555663814 /nfs/dbraw/zinc/66/38/14/555663814.db2.gz VGANZQKOXFRWIY-UHFFFAOYSA-N 0 0 455.507 4.896 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1-c1ccc(CO)o1 ZINC000020151995 555669196 /nfs/dbraw/zinc/66/91/96/555669196.db2.gz LCRISCBQXSCVGK-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1ccc(CO)o1 ZINC000020152100 555669347 /nfs/dbraw/zinc/66/93/47/555669347.db2.gz KIJHXLJSJIAGKS-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000014019348 555671998 /nfs/dbraw/zinc/67/19/98/555671998.db2.gz VEHLZPDGPSWXLE-HSZRJFAPSA-N 0 0 483.033 4.970 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)NCCSCc2ccccc2F)cc1)S(C)(=O)=O ZINC000010281364 555672553 /nfs/dbraw/zinc/67/25/53/555672553.db2.gz LLNJFJYBHPEXFN-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(C)c3)cc2)cc1 ZINC000014022654 555673698 /nfs/dbraw/zinc/67/36/98/555673698.db2.gz BIDKNAPRFXRDGQ-XMMPIXPASA-N 0 0 468.575 4.991 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000010294270 555674502 /nfs/dbraw/zinc/67/45/02/555674502.db2.gz CVBSQSGXTRTLGA-UHFFFAOYSA-N 0 0 489.391 4.682 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294405 555674642 /nfs/dbraw/zinc/67/46/42/555674642.db2.gz RGSINCVVOCNQJM-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010295782 555675598 /nfs/dbraw/zinc/67/55/98/555675598.db2.gz XWMALZYDRSKOQI-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1cccc(Br)c1 ZINC000010298349 555676329 /nfs/dbraw/zinc/67/63/29/555676329.db2.gz LDVZGIANPKKGAL-MRXNPFEDSA-N 0 0 491.136 4.600 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(C)c(Cl)c1 ZINC000010299764 555676596 /nfs/dbraw/zinc/67/65/96/555676596.db2.gz FXTNDIDQKNAJBY-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300296 555677216 /nfs/dbraw/zinc/67/72/16/555677216.db2.gz XQWZASGTMSGJPI-UHFFFAOYSA-N 0 0 498.601 4.553 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300582 555677517 /nfs/dbraw/zinc/67/75/17/555677517.db2.gz HYRTZGUAZIQMNH-UHFFFAOYSA-N 0 0 456.539 4.539 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314286 555679552 /nfs/dbraw/zinc/67/95/52/555679552.db2.gz GUWOPNXYIQPZCZ-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSc3ccc(Cl)cc3)c2)cc1 ZINC000010314178 555679567 /nfs/dbraw/zinc/67/95/67/555679567.db2.gz SNPYDFYYVQTZHH-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314180 555679611 /nfs/dbraw/zinc/67/96/11/555679611.db2.gz SDGYZAMMOIHBFH-UHFFFAOYSA-N 0 0 465.575 4.530 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314305 555679888 /nfs/dbraw/zinc/67/98/88/555679888.db2.gz CAZPTLAOLXKSKC-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000010314471 555680145 /nfs/dbraw/zinc/68/01/45/555680145.db2.gz RCJWYVOJVVZMNS-UHFFFAOYSA-N 0 0 465.575 4.576 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010314904 555680798 /nfs/dbraw/zinc/68/07/98/555680798.db2.gz POTHFRDXRBIIMV-GOSISDBHSA-N 0 0 465.575 4.576 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000010314860 555680958 /nfs/dbraw/zinc/68/09/58/555680958.db2.gz LJYITEWBZYKUEJ-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)cc2C)cc1 ZINC000010315276 555681898 /nfs/dbraw/zinc/68/18/98/555681898.db2.gz XKRYVZLNKKDPAJ-UHFFFAOYSA-N 0 0 479.602 4.742 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Br ZINC000020177074 555682795 /nfs/dbraw/zinc/68/27/95/555682795.db2.gz XQVPUHKNADEXFD-UHFFFAOYSA-N 0 0 475.364 4.727 40 0 JJABRN Cc1ccc(N(CCCC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000010324769 555683770 /nfs/dbraw/zinc/68/37/70/555683770.db2.gz WQECMMGONICVCW-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2OCC)n1CC ZINC000014085391 555683920 /nfs/dbraw/zinc/68/39/20/555683920.db2.gz ZLUCUPGZXWBPSB-UHFFFAOYSA-N 0 0 488.635 4.950 40 0 JJABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000010326085 555684530 /nfs/dbraw/zinc/68/45/30/555684530.db2.gz KLBDBBWFOGPMNT-OAQYLSRUSA-N 0 0 454.482 4.578 40 0 JJABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000010326072 555684592 /nfs/dbraw/zinc/68/45/92/555684592.db2.gz KLBDBBWFOGPMNT-NRFANRHFSA-N 0 0 454.482 4.578 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010326617 555685157 /nfs/dbraw/zinc/68/51/57/555685157.db2.gz SWCCPUXWNGLJPM-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010326913 555685373 /nfs/dbraw/zinc/68/53/73/555685373.db2.gz VTCDBBGOFDGEJV-SFHVURJKSA-N 0 0 450.560 4.786 40 0 JJABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326955 555685703 /nfs/dbraw/zinc/68/57/03/555685703.db2.gz BWMQIAAGBLKLOP-GOSISDBHSA-N 0 0 450.560 4.704 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000010328990 555686930 /nfs/dbraw/zinc/68/69/30/555686930.db2.gz PKPGZRSABXCILF-UHFFFAOYSA-N 0 0 493.629 4.742 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010331388 555688009 /nfs/dbraw/zinc/68/80/09/555688009.db2.gz KBDDVBCRXOPUCL-MRXNPFEDSA-N 0 0 474.966 4.934 40 0 JJABRN Cc1ccc(SCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010335635 555690765 /nfs/dbraw/zinc/69/07/65/555690765.db2.gz JYJWADJSYVLJFX-UHFFFAOYSA-N 0 0 454.617 4.935 40 0 JJABRN CC(=O)c1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010337706 555692306 /nfs/dbraw/zinc/69/23/06/555692306.db2.gz KPMACKBAIBKTIP-UHFFFAOYSA-N 0 0 456.951 4.761 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010338569 555692936 /nfs/dbraw/zinc/69/29/36/555692936.db2.gz CREXXOIWDDPFLH-SNVBAGLBSA-N 0 0 485.311 4.814 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010338568 555692968 /nfs/dbraw/zinc/69/29/68/555692968.db2.gz CREXXOIWDDPFLH-JTQLQIEISA-N 0 0 485.311 4.814 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000010358482 555696233 /nfs/dbraw/zinc/69/62/33/555696233.db2.gz DDWBGIBKEWXBHY-UHFFFAOYSA-N 0 0 463.814 4.818 40 0 JJABRN COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010361918 555697143 /nfs/dbraw/zinc/69/71/43/555697143.db2.gz KLIBNYJXCXNTFU-UHFFFAOYSA-N 0 0 479.602 4.653 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc(Br)cc2)n1C ZINC000014127029 555697407 /nfs/dbraw/zinc/69/74/07/555697407.db2.gz XCBDFGLZDVKZAJ-UHFFFAOYSA-N 0 0 481.803 4.849 40 0 JJABRN COc1cc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c(OC)cc1Cl ZINC000010366451 555698244 /nfs/dbraw/zinc/69/82/44/555698244.db2.gz ATABAHHOXXHQQG-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1)c1cccc(Cl)c1 ZINC000010371335 555699696 /nfs/dbraw/zinc/69/96/96/555699696.db2.gz XJVIVWGJWMTGHE-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN CSc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014135445 555703301 /nfs/dbraw/zinc/70/33/01/555703301.db2.gz TYAJEWFVUDZFMU-UHFFFAOYSA-N 0 0 454.617 4.589 40 0 JJABRN CCCCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014135619 555703778 /nfs/dbraw/zinc/70/37/78/555703778.db2.gz FZUJXHJXXQCGTH-UHFFFAOYSA-N 0 0 454.567 4.998 40 0 JJABRN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)no1 ZINC000010403362 555705936 /nfs/dbraw/zinc/70/59/36/555705936.db2.gz VHRVWKHYXRZTFF-UHFFFAOYSA-N 0 0 466.291 4.756 40 0 JJABRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000014152671 555708469 /nfs/dbraw/zinc/70/84/69/555708469.db2.gz QZKMAKKJOQWRER-UHFFFAOYSA-N 0 0 454.449 4.766 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010434039 555708876 /nfs/dbraw/zinc/70/88/76/555708876.db2.gz UNOZVJNNRJUFFT-UHFFFAOYSA-N 0 0 497.592 4.526 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC ZINC000014153778 555710325 /nfs/dbraw/zinc/71/03/25/555710325.db2.gz FDAKPNKHSDHTJI-UHFFFAOYSA-N 0 0 468.575 4.706 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000010440850 555710575 /nfs/dbraw/zinc/71/05/75/555710575.db2.gz VUYBEZNTSZSERJ-VWLOTQADSA-N 0 0 460.555 4.890 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)c1 ZINC000014154058 555710752 /nfs/dbraw/zinc/71/07/52/555710752.db2.gz ZMQREOKFULFULY-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010440962 555710791 /nfs/dbraw/zinc/71/07/91/555710791.db2.gz WOFWZIVSHRTQGT-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010440957 555710831 /nfs/dbraw/zinc/71/08/31/555710831.db2.gz XWODSAYLEZZKNM-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccc(SC)cc1 ZINC000014154272 555711229 /nfs/dbraw/zinc/71/12/29/555711229.db2.gz KCVWDWUTXLVRDD-UHFFFAOYSA-N 0 0 496.720 4.650 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014154312 555711299 /nfs/dbraw/zinc/71/12/99/555711299.db2.gz CREDLGPFOSOXML-UHFFFAOYSA-N 0 0 475.035 4.828 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1C ZINC000010442356 555711362 /nfs/dbraw/zinc/71/13/62/555711362.db2.gz WYTRPVDIRVANGE-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000010445701 555712974 /nfs/dbraw/zinc/71/29/74/555712974.db2.gz WTUILRNQNOIBJO-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2C)c1 ZINC000014155340 555713301 /nfs/dbraw/zinc/71/33/01/555713301.db2.gz YHEOICDKWSOUSL-UHFFFAOYSA-N 0 0 454.617 4.935 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000014155365 555713736 /nfs/dbraw/zinc/71/37/36/555713736.db2.gz CWJAFFFUSVYMNI-UHFFFAOYSA-N 0 0 470.566 4.793 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010448610 555714504 /nfs/dbraw/zinc/71/45/04/555714504.db2.gz HRGLMXRJEYSVOY-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cc(Cl)ccc2C)cc1 ZINC000010449123 555715078 /nfs/dbraw/zinc/71/50/78/555715078.db2.gz IDDKMCGCLNNBDW-UHFFFAOYSA-N 0 0 454.979 4.741 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020234912 555727137 /nfs/dbraw/zinc/72/71/37/555727137.db2.gz LUEFQZMAUMYJAC-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020236174 555729397 /nfs/dbraw/zinc/72/93/97/555729397.db2.gz JEUANWMFPXYQCX-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000020239152 555733094 /nfs/dbraw/zinc/73/30/94/555733094.db2.gz BOGQHIUMRRMAOF-UHFFFAOYSA-N 0 0 479.341 4.556 40 0 JJABRN CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000010693663 555734085 /nfs/dbraw/zinc/73/40/85/555734085.db2.gz MKQZCCCQCREPNQ-UHFFFAOYSA-N 0 0 485.433 4.961 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000014214767 555734401 /nfs/dbraw/zinc/73/44/01/555734401.db2.gz FTFRVLNCUGJDQR-UHFFFAOYSA-N 0 0 460.559 4.580 40 0 JJABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 ZINC000014269390 555758816 /nfs/dbraw/zinc/75/88/16/555758816.db2.gz SNKYESUSWYKURD-UHFFFAOYSA-N 0 0 459.527 4.955 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cc1C ZINC000014269669 555759796 /nfs/dbraw/zinc/75/97/96/555759796.db2.gz TZIOKCUZPLJYOZ-UHFFFAOYSA-N 0 0 472.202 4.964 40 0 JJABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(I)c3)nc21 ZINC000014270803 555763813 /nfs/dbraw/zinc/76/38/13/555763813.db2.gz HXOMLCKYEGFJJS-UHFFFAOYSA-N 0 0 467.357 4.645 40 0 JJABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000014270969 555764331 /nfs/dbraw/zinc/76/43/31/555764331.db2.gz GACLNYDQYAKVOC-UHFFFAOYSA-N 0 0 463.538 4.782 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000014271175 555765234 /nfs/dbraw/zinc/76/52/34/555765234.db2.gz FLZZNYRDTPVOES-UHFFFAOYSA-N 0 0 469.588 4.925 40 0 JJABRN CCOc1cc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc(OCC)c1OCC ZINC000014271282 555765777 /nfs/dbraw/zinc/76/57/77/555765777.db2.gz DNRTUEHFKDMMNW-UHFFFAOYSA-N 0 0 473.595 4.604 40 0 JJABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(CN4CCOCC4)cc3)o2)cc1Cl ZINC000014271334 555765802 /nfs/dbraw/zinc/76/58/02/555765802.db2.gz YZJZLIBMDSDBDE-UHFFFAOYSA-N 0 0 469.994 4.867 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000014271273 555765830 /nfs/dbraw/zinc/76/58/30/555765830.db2.gz CWJGATQMQMWMOJ-IZZDOVSWSA-N 0 0 455.923 4.720 40 0 JJABRN COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1NC(=O)c1ccccc1Cl ZINC000014273036 555771883 /nfs/dbraw/zinc/77/18/83/555771883.db2.gz WOHWUFXZPHVVFT-UHFFFAOYSA-N 0 0 470.909 4.879 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1C ZINC000014273601 555773983 /nfs/dbraw/zinc/77/39/83/555773983.db2.gz QQRZFCAYFHCZTM-UHFFFAOYSA-N 0 0 467.953 4.530 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1Br ZINC000014273872 555774799 /nfs/dbraw/zinc/77/47/99/555774799.db2.gz YEHCMSVJLLFTDZ-UHFFFAOYSA-N 0 0 487.423 4.905 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1OC ZINC000014273850 555774854 /nfs/dbraw/zinc/77/48/54/555774854.db2.gz CBNQPBZTFGWJMA-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)c3)nn12 ZINC000014273939 555775072 /nfs/dbraw/zinc/77/50/72/555775072.db2.gz XHTZYYQDXRGBGE-UHFFFAOYSA-N 0 0 494.646 4.885 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(OCC(C)C)cc4)c3C)nn12 ZINC000014273946 555775081 /nfs/dbraw/zinc/77/50/81/555775081.db2.gz FUQNGSPFVPGKFE-UHFFFAOYSA-N 0 0 480.619 4.631 40 0 JJABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)nn12 ZINC000014274043 555775633 /nfs/dbraw/zinc/77/56/33/555775633.db2.gz NRLUFHFBQDESJD-NTEUORMPSA-N 0 0 490.658 4.743 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1O ZINC000014274297 555776195 /nfs/dbraw/zinc/77/61/95/555776195.db2.gz CDQLWXXVFQEHOM-UHFFFAOYSA-N 0 0 488.201 4.669 40 0 JJABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020331562 555776899 /nfs/dbraw/zinc/77/68/99/555776899.db2.gz LIWTUNCXKADZMI-XMMPIXPASA-N 0 0 452.576 4.811 40 0 JJABRN COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(OC)cc3OC)c3ccccc3n2)cc1 ZINC000011397756 555777296 /nfs/dbraw/zinc/77/72/96/555777296.db2.gz WUISLXYLKBXXLM-UHFFFAOYSA-N 0 0 472.497 4.723 40 0 JJABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nn12 ZINC000014274601 555777342 /nfs/dbraw/zinc/77/73/42/555777342.db2.gz FHIYKKMNBMUOPU-UHFFFAOYSA-N 0 0 494.690 4.512 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccs3)c2)c(F)c1F ZINC000014274909 555778666 /nfs/dbraw/zinc/77/86/66/555778666.db2.gz YZFYLUNACYFPNW-UHFFFAOYSA-N 0 0 483.468 4.692 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cc1F ZINC000014275934 555782318 /nfs/dbraw/zinc/78/23/18/555782318.db2.gz FSSSIUVNGMWVIO-UHFFFAOYSA-N 0 0 476.165 4.795 40 0 JJABRN CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014276539 555784014 /nfs/dbraw/zinc/78/40/14/555784014.db2.gz ZAYMRQJSQSHZQJ-OAHLLOKOSA-N 0 0 473.664 4.912 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000014276510 555784025 /nfs/dbraw/zinc/78/40/25/555784025.db2.gz MIXRUWYVCVGGTG-GFCCVEGCSA-N 0 0 494.480 4.887 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c(Cl)c1 ZINC000014276590 555784038 /nfs/dbraw/zinc/78/40/38/555784038.db2.gz ZAAURVQKGIXWAB-UHFFFAOYSA-N 0 0 493.032 4.738 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000014276689 555784204 /nfs/dbraw/zinc/78/42/04/555784204.db2.gz ICSFKCHVQHJABQ-UHFFFAOYSA-N 0 0 486.641 4.785 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)CC1 ZINC000014276682 555784215 /nfs/dbraw/zinc/78/42/15/555784215.db2.gz BVUUZFAXJZZTIC-SDNWHVSQSA-N 0 0 478.662 4.641 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 ZINC000014277270 555785487 /nfs/dbraw/zinc/78/54/87/555785487.db2.gz ROHKXXHGXFKETD-UHFFFAOYSA-N 0 0 475.058 4.644 40 0 JJABRN CCOc1cc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc(OCC)c1OCC ZINC000014277390 555785676 /nfs/dbraw/zinc/78/56/76/555785676.db2.gz GOGLLRMTVASZPB-UHFFFAOYSA-N 0 0 488.453 4.541 40 0 JJABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000020411153 555788450 /nfs/dbraw/zinc/78/84/50/555788450.db2.gz KLMDSVBKDVNYRC-UHFFFAOYSA-N 0 0 486.962 4.930 40 0 JJABRN COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)sc2c1 ZINC000020412428 555790093 /nfs/dbraw/zinc/79/00/93/555790093.db2.gz VDXWWPGPOQQGOF-UHFFFAOYSA-N 0 0 484.784 4.626 40 0 JJABRN COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)c(F)c1F ZINC000014291056 555791992 /nfs/dbraw/zinc/79/19/92/555791992.db2.gz LSDYHNIOMXZCRF-UHFFFAOYSA-N 0 0 491.460 4.965 40 0 JJABRN COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000014291135 555792203 /nfs/dbraw/zinc/79/22/03/555792203.db2.gz CHPMYZQMZCTVGK-UHFFFAOYSA-N 0 0 450.366 4.559 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000014291148 555792288 /nfs/dbraw/zinc/79/22/88/555792288.db2.gz ORFIGHFAQPMHOG-UHFFFAOYSA-N 0 0 450.366 4.559 40 0 JJABRN COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000014291238 555792840 /nfs/dbraw/zinc/79/28/40/555792840.db2.gz JGRCQNAJOUBASR-UHFFFAOYSA-N 0 0 493.991 4.880 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000014291337 555793092 /nfs/dbraw/zinc/79/30/92/555793092.db2.gz HQARYJHOYJZNCR-UHFFFAOYSA-N 0 0 478.759 4.838 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Br)cc(C)c1OC ZINC000014291324 555793095 /nfs/dbraw/zinc/79/30/95/555793095.db2.gz UFIMXAIRTJPKDT-UHFFFAOYSA-N 0 0 488.367 4.502 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000014291347 555793170 /nfs/dbraw/zinc/79/31/70/555793170.db2.gz MKCUAPMPWWWXKK-UHFFFAOYSA-N 0 0 464.334 4.738 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)CC2)cc1 ZINC000020529038 555793679 /nfs/dbraw/zinc/79/36/79/555793679.db2.gz HVHYRRKZPVULGU-UHFFFAOYSA-N 0 0 454.785 4.520 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1C ZINC000020529001 555793750 /nfs/dbraw/zinc/79/37/50/555793750.db2.gz FIDFHUWRZDSMQM-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccc2c(Cl)cccc12 ZINC000020528972 555793800 /nfs/dbraw/zinc/79/38/00/555793800.db2.gz ZNXVAUWGCHVZQK-UHFFFAOYSA-N 0 0 461.871 4.956 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1 ZINC000014388172 555801644 /nfs/dbraw/zinc/80/16/44/555801644.db2.gz HOQDLWFHSCMOPF-ZDUSSCGKSA-N 0 0 475.825 4.925 40 0 JJABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(C)c1Cl ZINC000014396471 555802195 /nfs/dbraw/zinc/80/21/95/555802195.db2.gz MKINQZOVRMTJNF-SFHVURJKSA-N 0 0 465.015 4.928 40 0 JJABRN Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(C)c1Cl ZINC000014396469 555802256 /nfs/dbraw/zinc/80/22/56/555802256.db2.gz MKINQZOVRMTJNF-GOSISDBHSA-N 0 0 465.015 4.928 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000014397800 555803628 /nfs/dbraw/zinc/80/36/28/555803628.db2.gz BTCSSFAUZSPPSL-UHFFFAOYSA-N 0 0 454.548 4.602 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000014398281 555803800 /nfs/dbraw/zinc/80/38/00/555803800.db2.gz RMRVDKSGFNJZQY-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN CC(C)Oc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000014400639 555806263 /nfs/dbraw/zinc/80/62/63/555806263.db2.gz OYGKTZQBOIYMQS-UHFFFAOYSA-N 0 0 459.395 4.966 40 0 JJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000014405032 555807372 /nfs/dbraw/zinc/80/73/72/555807372.db2.gz DRWJMWMWZZIEJX-UHFFFAOYSA-N 0 0 460.559 4.851 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccc(Cl)cc2)cc1 ZINC000014411124 555810291 /nfs/dbraw/zinc/81/02/91/555810291.db2.gz CVUHCODIVOBSKM-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000014411379 555810296 /nfs/dbraw/zinc/81/02/96/555810296.db2.gz UZZRVHSNAAOFCA-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000014411463 555810651 /nfs/dbraw/zinc/81/06/51/555810651.db2.gz BODBHLLBQCVELV-UHFFFAOYSA-N 0 0 460.939 4.546 40 0 JJABRN COC(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000014413090 555812271 /nfs/dbraw/zinc/81/22/71/555812271.db2.gz RJWNTPDZXATBPV-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CCOc1cc(C(=O)Nc2ccccc2I)cc(Br)c1OC ZINC000014429513 555814161 /nfs/dbraw/zinc/81/41/61/555814161.db2.gz AFQLNJSPBBLFNG-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000014427282 555814231 /nfs/dbraw/zinc/81/42/31/555814231.db2.gz ZCRFGCPQTWXGKD-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN C/C=C/Cn1c(-c2ccc(Br)cc2)cs/c1=N/S(=O)(=O)c1cccs1 ZINC000011859638 555839202 /nfs/dbraw/zinc/83/92/02/555839202.db2.gz ZFHBDAXLJNZEHL-MEEVVQOPSA-N 0 0 455.424 4.906 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000014792723 555839887 /nfs/dbraw/zinc/83/98/87/555839887.db2.gz CJVNJXUKOHLRJN-FQEVSTJZSA-N 0 0 491.613 4.523 40 0 JJABRN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1Br ZINC000015008919 555853003 /nfs/dbraw/zinc/85/30/03/555853003.db2.gz MVZYETPIHNBLHN-UHFFFAOYSA-N 0 0 471.804 4.838 40 0 JJABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccc(Cl)nc1 ZINC000022110326 555877170 /nfs/dbraw/zinc/87/71/70/555877170.db2.gz ADZOZRFRWJFQHJ-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN CCCn1nnnc1NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022111626 555878817 /nfs/dbraw/zinc/87/88/17/555878817.db2.gz JPKFBURXOIYGNU-UHFFFAOYSA-N 0 0 466.767 4.699 40 0 JJABRN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000015186454 555882905 /nfs/dbraw/zinc/88/29/05/555882905.db2.gz OSBVJCIMWCVCKT-UHFFFAOYSA-N 0 0 460.461 4.854 40 0 JJABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(Br)c1 ZINC000015225581 555886725 /nfs/dbraw/zinc/88/67/25/555886725.db2.gz CNUOXLNMZVSERC-UHFFFAOYSA-N 0 0 466.360 4.879 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000022231105 555889398 /nfs/dbraw/zinc/88/93/98/555889398.db2.gz RPQWOVFMGLDYHQ-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000022231124 555889747 /nfs/dbraw/zinc/88/97/47/555889747.db2.gz RCBAIFHYDKRQHT-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231640 555890255 /nfs/dbraw/zinc/89/02/55/555890255.db2.gz PTWCUDLVIKWJFW-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022231591 555890276 /nfs/dbraw/zinc/89/02/76/555890276.db2.gz WBJIXYRWGNOERZ-UHFFFAOYSA-N 0 0 466.603 4.850 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022232056 555891097 /nfs/dbraw/zinc/89/10/97/555891097.db2.gz NIMNQTKCYAVQBV-SFHVURJKSA-N 0 0 472.994 4.562 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C ZINC000022232097 555891426 /nfs/dbraw/zinc/89/14/26/555891426.db2.gz GFHFXRAFTIMHCZ-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233021 555892730 /nfs/dbraw/zinc/89/27/30/555892730.db2.gz GKICCAYARJCVAD-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000022233040 555892754 /nfs/dbraw/zinc/89/27/54/555892754.db2.gz WABPAPUKKODMQS-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000022233074 555893092 /nfs/dbraw/zinc/89/30/92/555893092.db2.gz CXXQYJNFSONUPZ-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000022233336 555893308 /nfs/dbraw/zinc/89/33/08/555893308.db2.gz QRIMRYLLOFLXOH-VWLOTQADSA-N 0 0 499.032 4.879 40 0 JJABRN CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236915 555894477 /nfs/dbraw/zinc/89/44/77/555894477.db2.gz XBRREJSRSWXCTA-UHFFFAOYSA-N 0 0 477.914 4.964 40 0 JJABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000022246202 555896158 /nfs/dbraw/zinc/89/61/58/555896158.db2.gz NQGDWAOGADMHPF-MUUNZHRXSA-N 0 0 484.621 4.805 40 0 JJABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000022246204 555896168 /nfs/dbraw/zinc/89/61/68/555896168.db2.gz NQGDWAOGADMHPF-NDEPHWFRSA-N 0 0 484.621 4.805 40 0 JJABRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246355 555896412 /nfs/dbraw/zinc/89/64/12/555896412.db2.gz GQMRHQUEXNYQIN-OAQYLSRUSA-N 0 0 477.413 4.542 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000022247877 555898068 /nfs/dbraw/zinc/89/80/68/555898068.db2.gz QJYCSBVDONMJMX-KOSHJBKYSA-N 0 0 487.021 4.506 40 0 JJABRN Cc1ccc([C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c2ccccc2)cc1 ZINC000015322043 555898765 /nfs/dbraw/zinc/89/87/65/555898765.db2.gz IOELGTYGVQCVTH-SANMLTNESA-N 0 0 462.615 4.997 40 0 JJABRN O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015350507 555900012 /nfs/dbraw/zinc/90/00/12/555900012.db2.gz XCUKBAVGBNKGAJ-UHFFFAOYSA-N 0 0 473.392 4.642 40 0 JJABRN COc1cc(C(=O)NC2CCCCCC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253880 555902343 /nfs/dbraw/zinc/90/23/43/555902343.db2.gz KNHQQDUHJOZPBG-UHFFFAOYSA-N 0 0 495.041 4.776 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)cc2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254400 555902912 /nfs/dbraw/zinc/90/29/12/555902912.db2.gz QMPVPOHJYZXLBO-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN COc1cc(C(=O)Nc2cc(F)ccc2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254767 555903161 /nfs/dbraw/zinc/90/31/61/555903161.db2.gz DGWLMTACHMXLBF-UHFFFAOYSA-N 0 0 490.528 4.509 40 0 JJABRN COc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1OC ZINC000022256275 555904300 /nfs/dbraw/zinc/90/43/00/555904300.db2.gz TWTMGMBUYOOLNC-QFIPXVFZSA-N 0 0 492.620 4.963 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)CC(C)C ZINC000022256643 555904687 /nfs/dbraw/zinc/90/46/87/555904687.db2.gz GMDLDEIMHNGTDL-UHFFFAOYSA-N 0 0 470.378 4.899 40 0 JJABRN CC[C@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022257093 555904955 /nfs/dbraw/zinc/90/49/55/555904955.db2.gz QPZICDXHWXJXEH-KRWDZBQOSA-N 0 0 473.595 4.867 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)cc1C ZINC000022268246 555906996 /nfs/dbraw/zinc/90/69/96/555906996.db2.gz WXFLCKQLPJOTME-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(SC)c2)cc1C ZINC000022268530 555907613 /nfs/dbraw/zinc/90/76/13/555907613.db2.gz XGCBNQQUGJKFTE-HSZRJFAPSA-N 0 0 484.643 4.644 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2SC)cc1C ZINC000022268628 555907766 /nfs/dbraw/zinc/90/77/66/555907766.db2.gz KQOOREKMWRZZOQ-QFIPXVFZSA-N 0 0 484.643 4.644 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2SC)cc1C ZINC000022268631 555907862 /nfs/dbraw/zinc/90/78/62/555907862.db2.gz KQOOREKMWRZZOQ-JOCHJYFZSA-N 0 0 484.643 4.644 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)cc1Cl ZINC000022269811 555908611 /nfs/dbraw/zinc/90/86/11/555908611.db2.gz SVMIPPZQCJQEQC-OAQYLSRUSA-N 0 0 494.947 4.545 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000022271454 555909298 /nfs/dbraw/zinc/90/92/98/555909298.db2.gz WUAXBLAODPIQST-QHCPKHFHSA-N 0 0 472.994 4.575 40 0 JJABRN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000022273413 555910051 /nfs/dbraw/zinc/91/00/51/555910051.db2.gz GMVDMEFWPXNYDD-UHFFFAOYSA-N 0 0 476.520 4.700 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022273665 555910364 /nfs/dbraw/zinc/91/03/64/555910364.db2.gz GSPYRMISZRHOLM-UHFFFAOYSA-N 0 0 485.709 4.526 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br ZINC000022274233 555910951 /nfs/dbraw/zinc/91/09/51/555910951.db2.gz BIDCUEQVFBCERZ-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccccc1Br ZINC000022274202 555910998 /nfs/dbraw/zinc/91/09/98/555910998.db2.gz USMPNVNEULTGFF-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000022274683 555911570 /nfs/dbraw/zinc/91/15/70/555911570.db2.gz VBZUOWVQLICRJH-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000022274787 555911837 /nfs/dbraw/zinc/91/18/37/555911837.db2.gz FELWPCPUVZTVBJ-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000022274965 555911844 /nfs/dbraw/zinc/91/18/44/555911844.db2.gz WNILCVYIJSBCGY-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2cccc(C)c2)cc1 ZINC000022275240 555912222 /nfs/dbraw/zinc/91/22/22/555912222.db2.gz PFCPGNFDOOXJHI-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275409 555912375 /nfs/dbraw/zinc/91/23/75/555912375.db2.gz OYJCKRRSWQBWNA-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277285 555914893 /nfs/dbraw/zinc/91/48/93/555914893.db2.gz XJTPMTMQNGRWLK-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 ZINC000022278409 555916215 /nfs/dbraw/zinc/91/62/15/555916215.db2.gz OFZXEGZISZKBRR-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc3cccnc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022279085 555916793 /nfs/dbraw/zinc/91/67/93/555916793.db2.gz KOXJNDUTMVFTIT-HXUWFJFHSA-N 0 0 489.597 4.625 40 0 JJABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC ZINC000015583670 555916897 /nfs/dbraw/zinc/91/68/97/555916897.db2.gz GGDOFLMMPFNAEW-UHFFFAOYSA-N 0 0 455.820 4.997 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281263 555917056 /nfs/dbraw/zinc/91/70/56/555917056.db2.gz APQXZOLCZYIHCN-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022304214 555919126 /nfs/dbraw/zinc/91/91/26/555919126.db2.gz AXAPTLIMCUXXTJ-QHCPKHFHSA-N 0 0 472.994 4.811 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022304592 555919146 /nfs/dbraw/zinc/91/91/46/555919146.db2.gz VCVUMMNZXYZGLL-HSZRJFAPSA-N 0 0 454.979 4.729 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015617740 555919694 /nfs/dbraw/zinc/91/96/94/555919694.db2.gz YHIDCVTUSGDHBL-UHFFFAOYSA-N 0 0 477.413 4.864 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022369390 555926636 /nfs/dbraw/zinc/92/66/36/555926636.db2.gz AACQSRTVTFPUJE-HXUWFJFHSA-N 0 0 484.593 4.914 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000022523063 555931017 /nfs/dbraw/zinc/93/10/17/555931017.db2.gz OUNRATWOFFNDBE-SANMLTNESA-N 0 0 478.614 4.698 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 ZINC000022530887 555931821 /nfs/dbraw/zinc/93/18/21/555931821.db2.gz MHVNBMFHLSEPSA-UHFFFAOYSA-N 0 0 450.608 4.933 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cccc(C)c2C)cc1 ZINC000022532717 555932349 /nfs/dbraw/zinc/93/23/49/555932349.db2.gz FPISGRLZIFGWIL-UHFFFAOYSA-N 0 0 491.613 4.573 40 0 JJABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000022533184 555932741 /nfs/dbraw/zinc/93/27/41/555932741.db2.gz GELQDOSDONUHKM-UHFFFAOYSA-N 0 0 452.466 4.910 40 0 JJABRN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000015675708 555934160 /nfs/dbraw/zinc/93/41/60/555934160.db2.gz YORXAMNPUOMQMC-FQEVSTJZSA-N 0 0 471.439 4.667 40 0 biogenic,in-vitro JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)c(C)c1 ZINC000022540101 555934159 /nfs/dbraw/zinc/93/41/59/555934159.db2.gz TVGYUUZWKRWNLQ-DHIUTWEWSA-N 0 0 456.652 4.815 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)c(Cl)c1 ZINC000022565898 555936191 /nfs/dbraw/zinc/93/61/91/555936191.db2.gz ACZLHSLDQQTPNY-UHFFFAOYSA-N 0 0 458.752 4.997 40 0 JJABRN COc1ccc(Br)cc1C(=O)Nc1cc(C)c(I)cc1C ZINC000022567573 555936649 /nfs/dbraw/zinc/93/66/49/555936649.db2.gz ADTLDGWHVISECY-UHFFFAOYSA-N 0 0 460.109 4.931 40 0 JJABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 ZINC000022569223 555937212 /nfs/dbraw/zinc/93/72/12/555937212.db2.gz VEIYAFNIEWVJAS-FQEVSTJZSA-N 0 0 461.562 4.773 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Br ZINC000022574978 555938343 /nfs/dbraw/zinc/93/83/43/555938343.db2.gz PDENDPFJXHKCKM-UHFFFAOYSA-N 0 0 465.303 4.901 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3C[C@H]2C)cc1 ZINC000022606128 555939893 /nfs/dbraw/zinc/93/98/93/555939893.db2.gz DNWFBARZFYNYED-QZTJIDSGSA-N 0 0 452.551 4.765 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl ZINC000022706270 555943480 /nfs/dbraw/zinc/94/34/80/555943480.db2.gz MTNQPAVLPBSWEB-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@]23c2cc(CC)cc4c2N(C3=O)C(C)(C)C=C4C)cc1 ZINC000022712905 555946620 /nfs/dbraw/zinc/94/66/20/555946620.db2.gz LTRCQQSXSGJZPW-MHZLTWQESA-N 0 0 476.598 4.901 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)cc1 ZINC000022718273 555948050 /nfs/dbraw/zinc/94/80/50/555948050.db2.gz IRHLDUQRVRETOZ-ONNFQVAWSA-N 0 0 481.430 4.743 40 0 JJABRN CC[C@@H](C)c1ccc(OCC(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1 ZINC000022739932 555948629 /nfs/dbraw/zinc/94/86/29/555948629.db2.gz MESOCTYLDVPYMZ-HXUWFJFHSA-N 0 0 482.621 4.813 40 0 JJABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012311780 555950507 /nfs/dbraw/zinc/95/05/07/555950507.db2.gz AOHVLGNRNJKTCK-QXWFJRNPSA-N 0 0 499.629 4.599 40 0 JJABRN Cc1cc(NC(=S)NC(=O)c2cccc(Br)c2)c(C)cc1I ZINC000022747106 555951497 /nfs/dbraw/zinc/95/14/97/555951497.db2.gz VRWKBLNUMINVIS-UHFFFAOYSA-N 0 0 489.176 4.797 40 0 JJABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)cc1 ZINC000015707322 555952894 /nfs/dbraw/zinc/95/28/94/555952894.db2.gz JUPZGPJCDSPENA-IBGZPJMESA-N 0 0 452.877 4.892 40 0 biogenic,in-vitro JJABRN O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707310 555952952 /nfs/dbraw/zinc/95/29/52/555952952.db2.gz XBESCHFTQNPZFW-SFHVURJKSA-N 0 0 456.840 4.723 40 0 biogenic,in-vitro JJABRN COc1cc(CN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)C2CCCCC2)ccc1OCC(N)=O ZINC000022754550 555953389 /nfs/dbraw/zinc/95/33/89/555953389.db2.gz KNSJINUYEPPXNP-UHFFFAOYSA-N 0 0 495.403 4.850 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000022818624 555955054 /nfs/dbraw/zinc/95/50/54/555955054.db2.gz WJHCFDWROVFNLS-UHFFFAOYSA-N 0 0 498.402 4.742 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2cc1C ZINC000012469861 555982025 /nfs/dbraw/zinc/98/20/25/555982025.db2.gz QHRJCOKJNLVYIW-CJAUYULYSA-N 0 0 454.578 4.787 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000012482645 555986101 /nfs/dbraw/zinc/98/61/01/555986101.db2.gz SYFYQNUBGSUTDF-UHFFFAOYSA-N 0 0 450.969 4.558 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000012485359 555987331 /nfs/dbraw/zinc/98/73/31/555987331.db2.gz VWSUZUWUAKDMDZ-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cs1 ZINC000023135993 556020309 /nfs/dbraw/zinc/02/03/09/556020309.db2.gz XXIMDACSIFEMEI-UHFFFAOYSA-N 0 0 469.632 4.864 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000012576320 556075983 /nfs/dbraw/zinc/07/59/83/556075983.db2.gz UEGPUHQYPMXLAJ-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000023537605 556077018 /nfs/dbraw/zinc/07/70/18/556077018.db2.gz RTMHDASSIHIKCZ-UHFFFAOYSA-N 0 0 474.586 4.996 40 0 JJABRN Cc1cc(Cl)cc2c1NC(=O)[C@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000015967626 556093875 /nfs/dbraw/zinc/09/38/75/556093875.db2.gz DZAAESPYYUEWME-JTVNFJCOSA-N 0 0 497.982 4.663 40 0 JJABRN O=C(Nc1ccccc1Br)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000016027638 556116430 /nfs/dbraw/zinc/11/64/30/556116430.db2.gz WQKLHSONVMSKBI-UHFFFAOYSA-N 0 0 471.804 4.920 40 0 JJABRN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)c(Cl)c3N2)cc1 ZINC000012844333 556117142 /nfs/dbraw/zinc/11/71/42/556117142.db2.gz FQZXRFMWGJMNGA-GJZGRUSLSA-N 0 0 451.836 4.853 40 0 JJABRN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000016034752 556118708 /nfs/dbraw/zinc/11/87/08/556118708.db2.gz BHNIGGWROQDPDQ-JLLPCOHGSA-N 0 0 488.465 4.978 40 0 JJABRN Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000016283087 556132531 /nfs/dbraw/zinc/13/25/31/556132531.db2.gz BCBIDMDVKDAQQO-UHFFFAOYSA-N 0 0 451.247 4.586 40 0 JJABRN Cc1ccc(C(=O)OCC(=O)c2cccs2)cc1N1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000024522346 556133257 /nfs/dbraw/zinc/13/32/57/556133257.db2.gz UOPGGXPKXUDEKU-UHFFFAOYSA-N 0 0 470.506 4.753 40 0 JJABRN O=C(COC(=O)c1ccc(Br)cc1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000024522695 556133706 /nfs/dbraw/zinc/13/37/06/556133706.db2.gz KZUOZFGYBKCGBY-UHFFFAOYSA-N 0 0 462.303 4.855 40 0 JJABRN O=C(Nc1cc(Cl)ccc1C(=O)c1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024606227 556138565 /nfs/dbraw/zinc/13/85/65/556138565.db2.gz UPIRXFSCRDERMU-UHFFFAOYSA-N 0 0 489.018 4.672 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@@H]3C)cc12 ZINC000013023050 556212485 /nfs/dbraw/zinc/21/24/85/556212485.db2.gz NPQWILBOJTVYBK-KMRXNPHXSA-N 0 0 490.611 4.915 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013024236 556214268 /nfs/dbraw/zinc/21/42/68/556214268.db2.gz ONEBIEDFMYXANT-RUZDIDTESA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013024847 556214862 /nfs/dbraw/zinc/21/48/62/556214862.db2.gz WHOTXTGXGXWEIO-AREMUKBSSA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013024871 556215136 /nfs/dbraw/zinc/21/51/36/556215136.db2.gz LQFYSXRUCQGKCW-MUUNZHRXSA-N 0 0 495.627 4.999 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 ZINC000013024877 556215146 /nfs/dbraw/zinc/21/51/46/556215146.db2.gz CYDMTKXLBJENEB-MHZLTWQESA-N 0 0 497.599 4.713 40 0 JJABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(=O)OC)c2)cc1 ZINC000013025498 556216037 /nfs/dbraw/zinc/21/60/37/556216037.db2.gz VQRVOMLOVUPDJR-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/N=C(c4cccc(Br)c4)OC3=O)cc2)cc1 ZINC000017086192 556216094 /nfs/dbraw/zinc/21/60/94/556216094.db2.gz PCDRUJWFPXJWPK-FYJGNVAPSA-N 0 0 498.354 4.870 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025589 556216297 /nfs/dbraw/zinc/21/62/97/556216297.db2.gz DHXBMCVAHUHFNW-OAQYLSRUSA-N 0 0 452.532 4.575 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025727 556216687 /nfs/dbraw/zinc/21/66/87/556216687.db2.gz DOIJTQGUHIOPLG-HSZRJFAPSA-N 0 0 464.493 4.652 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)c1 ZINC000013025890 556217249 /nfs/dbraw/zinc/21/72/49/556217249.db2.gz LHHDVAYZTGAFKV-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)cc2OC)c1 ZINC000013025896 556217255 /nfs/dbraw/zinc/21/72/55/556217255.db2.gz MKBWIBDZQBFASE-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)c1OC ZINC000013026004 556217572 /nfs/dbraw/zinc/21/75/72/556217572.db2.gz YQDKIBOQKYXCNL-VWLOTQADSA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1OC ZINC000013026361 556218469 /nfs/dbraw/zinc/21/84/69/556218469.db2.gz ROHCWNWNVQYRBC-XMMPIXPASA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026593 556218947 /nfs/dbraw/zinc/21/89/47/556218947.db2.gz FQCZMNDDDPBQTH-RUZDIDTESA-N 0 0 476.529 4.506 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1 ZINC000013026583 556218995 /nfs/dbraw/zinc/21/89/95/556218995.db2.gz IPXVIMXYPRUYCS-RUZDIDTESA-N 0 0 460.530 4.938 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013026577 556219007 /nfs/dbraw/zinc/21/90/07/556219007.db2.gz GCVIXTNGVMSNIY-VWLOTQADSA-N 0 0 460.530 4.938 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000013026559 556219022 /nfs/dbraw/zinc/21/90/22/556219022.db2.gz XIBYFBDVGDRCEE-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026897 556219832 /nfs/dbraw/zinc/21/98/32/556219832.db2.gz VWFKFURSPNPXAG-VWLOTQADSA-N 0 0 459.546 4.993 40 0 JJABRN CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@@]4(Br)C(=O)C[C@@]32C)OCCO6)OCCO1 ZINC000025547015 556219923 /nfs/dbraw/zinc/21/99/23/556219923.db2.gz LGPAHKPSYJDVFT-GPVBFXAUSA-N 0 0 497.470 4.848 40 0 JJABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013027307 556220456 /nfs/dbraw/zinc/22/04/56/556220456.db2.gz CXSNWYHJJNADOG-GOSISDBHSA-N 0 0 470.422 4.647 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013028655 556222504 /nfs/dbraw/zinc/22/25/04/556222504.db2.gz ADUZGZHJKDXIMG-HHHXNRCGSA-N 0 0 485.588 4.552 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000013028873 556223060 /nfs/dbraw/zinc/22/30/60/556223060.db2.gz XIUXRATUBAZWTO-DEOSSOPVSA-N 0 0 475.618 4.744 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013028839 556223065 /nfs/dbraw/zinc/22/30/65/556223065.db2.gz ONEVIHDUNQZIOC-VWLOTQADSA-N 0 0 487.629 4.671 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000013029410 556223671 /nfs/dbraw/zinc/22/36/71/556223671.db2.gz LQWNYZQVRHYSPW-SANMLTNESA-N 0 0 487.629 4.889 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013029466 556223921 /nfs/dbraw/zinc/22/39/21/556223921.db2.gz VQDIBPPQDKKSLV-MUUNZHRXSA-N 0 0 481.600 4.569 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000013031455 556227927 /nfs/dbraw/zinc/22/79/27/556227927.db2.gz BMCUFJBFJXQTSP-AREMUKBSSA-N 0 0 473.577 4.524 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)o1 ZINC000013031518 556228344 /nfs/dbraw/zinc/22/83/44/556228344.db2.gz FKUFHWCOKZQRJX-VWLOTQADSA-N 0 0 493.995 4.923 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccco1 ZINC000013031504 556228358 /nfs/dbraw/zinc/22/83/58/556228358.db2.gz UWADSVRXWQSECU-SANMLTNESA-N 0 0 473.577 4.524 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032058 556230223 /nfs/dbraw/zinc/23/02/23/556230223.db2.gz RSOURXHUDWCWOB-RUZDIDTESA-N 0 0 491.567 4.547 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 ZINC000013032092 556230652 /nfs/dbraw/zinc/23/06/52/556230652.db2.gz ACCZCUXTOHOBIP-RUZDIDTESA-N 0 0 491.567 4.860 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032277 556230866 /nfs/dbraw/zinc/23/08/66/556230866.db2.gz JHPWGTBCIMERID-HHHXNRCGSA-N 0 0 499.615 4.520 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013032565 556231432 /nfs/dbraw/zinc/23/14/32/556231432.db2.gz FIRUSUYJZZSRNP-RUZDIDTESA-N 0 0 489.645 4.610 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013032500 556231451 /nfs/dbraw/zinc/23/14/51/556231451.db2.gz ZHBGLWXOXUOWBT-SANMLTNESA-N 0 0 485.588 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013032483 556231457 /nfs/dbraw/zinc/23/14/57/556231457.db2.gz YICWNFMHROABDX-HSZRJFAPSA-N 0 0 479.968 4.757 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013032563 556231477 /nfs/dbraw/zinc/23/14/77/556231477.db2.gz FIRUSUYJZZSRNP-VWLOTQADSA-N 0 0 489.645 4.610 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013032640 556231782 /nfs/dbraw/zinc/23/17/82/556231782.db2.gz FANOOBIXQBEESZ-DEOSSOPVSA-N 0 0 491.617 4.581 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013032670 556231836 /nfs/dbraw/zinc/23/18/36/556231836.db2.gz ZQYQPYIPMZCDLK-XMMPIXPASA-N 0 0 475.618 4.881 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013032686 556231840 /nfs/dbraw/zinc/23/18/40/556231840.db2.gz CKAPGNFQEBRHLE-QHCPKHFHSA-N 0 0 461.591 4.572 40 0 JJABRN COc1ccc([C@@H]2S/C(=C/c3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219293 556242477 /nfs/dbraw/zinc/24/24/77/556242477.db2.gz IXMBTSQVXBHARS-WWFXOLRUSA-N 0 0 490.581 4.601 40 0 JJABRN O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000026111017 556242909 /nfs/dbraw/zinc/24/29/09/556242909.db2.gz PPSWLRLHZYUHFM-UHFFFAOYSA-N 0 0 477.435 4.500 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000026114689 556245458 /nfs/dbraw/zinc/24/54/58/556245458.db2.gz VHZVRJRYYKMZNP-UHFFFAOYSA-N 0 0 485.096 4.510 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000026115948 556246034 /nfs/dbraw/zinc/24/60/34/556246034.db2.gz MWIFEZUWJIRENS-UHFFFAOYSA-N 0 0 478.705 4.555 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCC1 ZINC000026115980 556246063 /nfs/dbraw/zinc/24/60/63/556246063.db2.gz JIDFCRWJAHXULP-UHFFFAOYSA-N 0 0 473.447 4.820 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1C(=O)N1CCC(C)CC1 ZINC000026118811 556247904 /nfs/dbraw/zinc/24/79/04/556247904.db2.gz SCNWPJXPCRHSGK-UHFFFAOYSA-N 0 0 492.732 4.801 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119347 556248230 /nfs/dbraw/zinc/24/82/30/556248230.db2.gz ZZHJZQIFMGCVIF-IBGZPJMESA-N 0 0 460.665 4.580 40 0 JJABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026119173 556248310 /nfs/dbraw/zinc/24/83/10/556248310.db2.gz HLVPEYFITOOAFS-UHFFFAOYSA-N 0 0 497.038 4.521 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCCCCC1 ZINC000026119654 556248437 /nfs/dbraw/zinc/24/84/37/556248437.db2.gz NKBCTRLOPSHFAU-UHFFFAOYSA-N 0 0 483.453 4.988 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119660 556248528 /nfs/dbraw/zinc/24/85/28/556248528.db2.gz MFJRIGOXAYWMQG-UHFFFAOYSA-N 0 0 483.453 4.988 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017482618 556261413 /nfs/dbraw/zinc/26/14/13/556261413.db2.gz LDCOKNDUHFOFGM-UHFFFAOYSA-N 0 0 465.761 4.825 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064199 556261569 /nfs/dbraw/zinc/26/15/69/556261569.db2.gz SBWSFLVKBCOEGH-SANMLTNESA-N 0 0 486.620 4.662 40 0 JJABRN CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000017781521 556266572 /nfs/dbraw/zinc/26/65/72/556266572.db2.gz PRCFAYVJKTVJGO-SDHOMARFSA-N 0 0 476.504 4.674 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000027061859 556273270 /nfs/dbraw/zinc/27/32/70/556273270.db2.gz LIGOKMRRFBPPKF-HSEDLZSMSA-N 0 0 497.551 4.568 40 0 JJABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000027095449 556274061 /nfs/dbraw/zinc/27/40/61/556274061.db2.gz AJSNUDYGHOBKNE-CSJROMOCSA-N 0 0 482.580 4.857 40 0 JJABRN CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000027373458 556277293 /nfs/dbraw/zinc/27/72/93/556277293.db2.gz MOMNTZHQIYJMSS-DOIPELPJSA-N 0 0 468.475 4.836 40 0 JJABRN CC(C)(C)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CCC4CCCC4)C2)[nH]c3=O)cc1 ZINC000013083418 556279898 /nfs/dbraw/zinc/27/98/98/556279898.db2.gz ZMQLGNXLYFCWBJ-NRFANRHFSA-N 0 0 490.652 4.949 40 0 JJABRN CCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)C1 ZINC000013083657 556280795 /nfs/dbraw/zinc/28/07/95/556280795.db2.gz WIKRMUGYJCTMKZ-HNNXBMFYSA-N 0 0 477.396 4.568 40 0 JJABRN O=C(c1ccco1)N1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000027498822 556280982 /nfs/dbraw/zinc/28/09/82/556280982.db2.gz MJYRRGDDYFSKQK-GOSISDBHSA-N 0 0 472.372 4.513 40 0 JJABRN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)NCCCn2ccnc2)cc1 ZINC000013084707 556282052 /nfs/dbraw/zinc/28/20/52/556282052.db2.gz MMNMOTZFQQRZQZ-LFVJCYFKSA-N 0 0 490.510 4.707 40 0 JJABRN Cc1cccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)c1 ZINC000027839216 556309133 /nfs/dbraw/zinc/30/91/33/556309133.db2.gz MKTCVBVKACHLTO-ZVHZXABRSA-N 0 0 482.515 4.820 40 0 JJABRN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CC2 ZINC000018209688 556310542 /nfs/dbraw/zinc/31/05/42/556310542.db2.gz IMPNGYFQBHHRML-PCMMCCAGSA-N 0 0 490.482 4.913 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028207014 556317731 /nfs/dbraw/zinc/31/77/31/556317731.db2.gz GWHJBGQRTWEXLA-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN CCC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000028209006 556319737 /nfs/dbraw/zinc/31/97/37/556319737.db2.gz FYNHUTMEJZJGMI-HNNXBMFYSA-N 0 0 476.620 4.662 40 0 JJABRN CCCN(c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209252 556320537 /nfs/dbraw/zinc/32/05/37/556320537.db2.gz BGCJGHAXGNBMOT-FQEVSTJZSA-N 0 0 472.632 4.724 40 0 JJABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2cc(F)ccc2F)C1)Nc1cc(F)ccc1F ZINC000019075168 556327560 /nfs/dbraw/zinc/32/75/60/556327560.db2.gz PEVBNGHHAQITFR-OKILXGFUSA-N 0 0 452.452 4.993 40 0 JJABRN COc1ccc([C@@H]2C3SC(=S)N=C3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1OC ZINC000028294887 556329812 /nfs/dbraw/zinc/32/98/12/556329812.db2.gz UUWIJCAKRPTJOW-LNLFQRSKSA-N 0 0 484.624 4.553 40 0 JJABRN O=C(C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1cccc(C(F)(F)F)c1 ZINC000028295141 556330244 /nfs/dbraw/zinc/33/02/44/556330244.db2.gz SJKGIOHIHABJIS-IERDGZPVSA-N 0 0 492.500 4.627 40 0 JJABRN S=c1[n-]nc(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1-c1ccccc1 ZINC000028464769 556333880 /nfs/dbraw/zinc/33/38/80/556333880.db2.gz QDSWJOTYOWKVCI-UHFFFAOYSA-N 0 0 455.631 4.880 40 0 JJABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccccc3)Cc3cccnc3)cc2c1 ZINC000019220712 556334482 /nfs/dbraw/zinc/33/44/82/556334482.db2.gz QZRMNVBSLFOSOU-AREMUKBSSA-N 0 0 493.615 4.765 40 0 JJABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1OC ZINC000028534702 556334941 /nfs/dbraw/zinc/33/49/41/556334941.db2.gz NEJULWCWFMSOCR-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2sc3c(c2c1=O)CCCC3 ZINC000028608033 556336230 /nfs/dbraw/zinc/33/62/30/556336230.db2.gz JPDSWQDNYOGXNN-UHFFFAOYSA-N 0 0 457.665 4.534 40 0 JJABRN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc(Br)cc1F ZINC000028606398 556336260 /nfs/dbraw/zinc/33/62/60/556336260.db2.gz BHNGHRFSINNFOL-UHFFFAOYSA-N 0 0 484.354 4.962 40 0 JJABRN COc1ccc(-c2cc3ncnc(OCC(=O)Nc4ccc(N5CCCC5=O)cc4)c3s2)cc1 ZINC000028616718 556336872 /nfs/dbraw/zinc/33/68/72/556336872.db2.gz OBFDJIYHOJMTLX-UHFFFAOYSA-N 0 0 474.542 4.511 40 0 JJABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526636 556351438 /nfs/dbraw/zinc/35/14/38/556351438.db2.gz QKIQRPOPILNLFC-RUZDIDTESA-N 0 0 456.594 4.940 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C)c1 ZINC000030573113 556367386 /nfs/dbraw/zinc/36/73/86/556367386.db2.gz CKDKYDRUHMCKFZ-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2cccc(Cl)c2)cc1 ZINC000030752112 556371458 /nfs/dbraw/zinc/37/14/58/556371458.db2.gz APBMOWJUOPQPEU-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030754471 556372579 /nfs/dbraw/zinc/37/25/79/556372579.db2.gz DRUCRAWTIRQHER-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c2ccccc2)c2ccccc2)cc1OC ZINC000030847296 556375813 /nfs/dbraw/zinc/37/58/13/556375813.db2.gz ONBQOHOFBBJQLR-XMMPIXPASA-N 0 0 496.629 4.803 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccccc2)cc1OC ZINC000030847292 556375854 /nfs/dbraw/zinc/37/58/54/556375854.db2.gz ONBQOHOFBBJQLR-DEOSSOPVSA-N 0 0 496.629 4.803 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000030847572 556376257 /nfs/dbraw/zinc/37/62/57/556376257.db2.gz DKMBRYPSCOGLPM-ZJSXRUAMSA-N 0 0 470.679 4.836 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000030850940 556377494 /nfs/dbraw/zinc/37/74/94/556377494.db2.gz JNAUOIGAPTZRIZ-JYFHCDHNSA-N 0 0 494.613 4.555 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000030850936 556377497 /nfs/dbraw/zinc/37/74/97/556377497.db2.gz JNAUOIGAPTZRIZ-ZEQKJWHPSA-N 0 0 494.613 4.555 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000030851229 556377570 /nfs/dbraw/zinc/37/75/70/556377570.db2.gz CXIUKWVPXDIYSQ-KRWDZBQOSA-N 0 0 472.994 4.806 40 0 JJABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000030854070 556379066 /nfs/dbraw/zinc/37/90/66/556379066.db2.gz DTJJFVCZLYGOFO-HXUWFJFHSA-N 0 0 456.652 4.712 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(I)cc2C)cc1OC ZINC000030858600 556380898 /nfs/dbraw/zinc/38/08/98/556380898.db2.gz XGBNKGKUMDTQMP-GFCCVEGCSA-N 0 0 457.333 4.736 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000030861407 556381954 /nfs/dbraw/zinc/38/19/54/556381954.db2.gz AZNMWZVFHUPFTP-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030862448 556382207 /nfs/dbraw/zinc/38/22/07/556382207.db2.gz JURPQAYHNLSLDG-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN CC(C)C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030867990 556383739 /nfs/dbraw/zinc/38/37/39/556383739.db2.gz HEAPIKAOMUAURV-WIOPSUGQSA-N 0 0 464.587 4.547 40 0 JJABRN O=C(NCCSC1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030867762 556383760 /nfs/dbraw/zinc/38/37/60/556383760.db2.gz OPRGEXIXDWKXDV-UHFFFAOYSA-N 0 0 453.029 4.937 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000030873017 556385777 /nfs/dbraw/zinc/38/57/77/556385777.db2.gz SRCRXNKZRDUNRU-UHFFFAOYSA-N 0 0 458.967 4.858 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)ccc21 ZINC000030945352 556389075 /nfs/dbraw/zinc/38/90/75/556389075.db2.gz CQRFEKNSUSQHIF-QHCPKHFHSA-N 0 0 483.977 4.634 40 0 JJABRN CCCOc1ccc(N2C[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000019831337 556398277 /nfs/dbraw/zinc/39/82/77/556398277.db2.gz MAXIHFUUGPZMDS-AREMUKBSSA-N 0 0 497.639 4.762 40 0 JJABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]([C@@H]5CCCC5=O)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000031648402 556401055 /nfs/dbraw/zinc/40/10/55/556401055.db2.gz BEJRUZSNNGTWRU-PUWHQHEFSA-N 0 0 456.623 4.940 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)c1 ZINC000031934317 556411107 /nfs/dbraw/zinc/41/11/07/556411107.db2.gz SIVUFSCPMRAARG-UHFFFAOYSA-N 0 0 478.614 4.582 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000032109588 556419585 /nfs/dbraw/zinc/41/95/85/556419585.db2.gz PZBXRTJLICKAIQ-UHFFFAOYSA-N 0 0 458.477 4.807 40 0 JJABRN Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000032124840 556427803 /nfs/dbraw/zinc/42/78/03/556427803.db2.gz BLHQBYKUJJCTKK-UHFFFAOYSA-N 0 0 462.571 4.661 40 0 JJABRN Cc1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1Br ZINC000032124927 556428271 /nfs/dbraw/zinc/42/82/71/556428271.db2.gz JZNKUWNJHMDXQG-UHFFFAOYSA-N 0 0 467.319 4.805 40 0 JJABRN O=Cc1cn(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c2ccccc12 ZINC000032124942 556428367 /nfs/dbraw/zinc/42/83/67/556428367.db2.gz JLASHEGZPQLUAC-UHFFFAOYSA-N 0 0 471.582 4.963 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl ZINC000032125053 556428700 /nfs/dbraw/zinc/42/87/00/556428700.db2.gz WKMFGVRCKYGXOY-UHFFFAOYSA-N 0 0 472.419 4.558 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000032125459 556429808 /nfs/dbraw/zinc/42/98/08/556429808.db2.gz KQYVYCYSXSKOFT-UHFFFAOYSA-N 0 0 472.419 4.558 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000032126685 556430901 /nfs/dbraw/zinc/43/09/01/556430901.db2.gz UAJGYNLKNOTDKZ-UHFFFAOYSA-N 0 0 453.086 4.579 40 0 JJABRN CCOc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Br ZINC000032126811 556431204 /nfs/dbraw/zinc/43/12/04/556431204.db2.gz LHWIXSPIXMPNRR-UHFFFAOYSA-N 0 0 462.369 4.546 40 0 JJABRN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000032604043 556450116 /nfs/dbraw/zinc/45/01/16/556450116.db2.gz WGLIFZWHGPXYKZ-UHFFFAOYSA-N 0 0 467.776 4.541 40 0 JJABRN CCCCNc1sc(S(=O)(=O)C2CCCCC2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000032634078 556454929 /nfs/dbraw/zinc/45/49/29/556454929.db2.gz LGZHQEOROCVLIW-UHFFFAOYSA-N 0 0 456.655 4.603 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640543 556463065 /nfs/dbraw/zinc/46/30/65/556463065.db2.gz MERWTKSDXOQJAK-IEBWSBKVSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640738 556463467 /nfs/dbraw/zinc/46/34/67/556463467.db2.gz PHONDKVCAAONEX-WMZOPIPTSA-N 0 0 474.957 4.942 40 0 JJABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640740 556463729 /nfs/dbraw/zinc/46/37/29/556463729.db2.gz PHONDKVCAAONEX-FUHWJXTLSA-N 0 0 474.957 4.942 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640809 556463755 /nfs/dbraw/zinc/46/37/55/556463755.db2.gz LJKBDBKIKOHRIV-DOTOQJQBSA-N 0 0 463.358 4.547 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032640834 556463990 /nfs/dbraw/zinc/46/39/90/556463990.db2.gz GNRQUBMJRCHBLB-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640826 556464001 /nfs/dbraw/zinc/46/40/01/556464001.db2.gz OUKRRKPJXBYWST-HKUYNNGSSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(Cl)c1)N2c1ccc(Br)cc1F ZINC000032640940 556464871 /nfs/dbraw/zinc/46/48/71/556464871.db2.gz VKLMHMZPBMJQOZ-WBVHZDCISA-N 0 0 489.819 4.517 40 0 JJABRN Cc1cccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032641195 556465467 /nfs/dbraw/zinc/46/54/67/556465467.db2.gz LXSLOTAZWHSOMU-SJLPKXTDSA-N 0 0 474.957 4.942 40 0 JJABRN Cn1c(C[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288498 560034770 /nfs/dbraw/zinc/03/47/70/560034770.db2.gz BMDGALMXLLBCMR-WMZOPIPTSA-N 0 0 461.484 4.627 40 0 biogenic,in-vitro JJABRN COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000245226253 560037389 /nfs/dbraw/zinc/03/73/89/560037389.db2.gz MGXWFQMOWOODPK-OEQAEZTDSA-N 0 0 482.621 4.636 40 0 biogenic,in-vitro JJABRN C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000253397968 560040445 /nfs/dbraw/zinc/04/04/45/560040445.db2.gz GIJFPBPDCUCSPY-AWEZNQCLSA-N 0 0 463.431 4.515 40 0 biogenic,in-vitro JJABRN COCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccc(C(C)C)cc1 ZINC000008618118 562948286 /nfs/dbraw/zinc/94/82/86/562948286.db2.gz YGUJXWRSBKIISC-HHHXNRCGSA-N 0 0 494.657 4.955 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(OC)c1 ZINC000057315817 569597227 /nfs/dbraw/zinc/59/72/27/569597227.db2.gz QOVLZMSVAQBYAN-UHFFFAOYSA-N 0 0 460.511 4.604 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c(OC)c1 ZINC000057315758 569597241 /nfs/dbraw/zinc/59/72/41/569597241.db2.gz AUJWGXRPBPVJEL-UHFFFAOYSA-N 0 0 489.601 4.996 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)cc4OC)ccc3o2)cc1 ZINC000057315882 569597395 /nfs/dbraw/zinc/59/73/95/569597395.db2.gz NNZLQLZYMNWNEP-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(OC)c1 ZINC000057316203 569597534 /nfs/dbraw/zinc/59/75/34/569597534.db2.gz WAIQBFQUTJHEPD-UHFFFAOYSA-N 0 0 468.922 4.687 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nn12 ZINC000057316430 569597830 /nfs/dbraw/zinc/59/78/30/569597830.db2.gz JFFVCIHCUOGZLH-UHFFFAOYSA-N 0 0 450.593 4.665 40 0 JJABRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 ZINC000057316590 569597908 /nfs/dbraw/zinc/59/79/08/569597908.db2.gz HLNRXNSZMPHGQL-PKNBQFBNSA-N 0 0 471.991 4.776 40 0 JJABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000057316646 569598002 /nfs/dbraw/zinc/59/80/02/569598002.db2.gz PYSAIFBBSRBBMJ-HXUWFJFHSA-N 0 0 496.677 4.685 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)CC2)cc1 ZINC000057317173 569598481 /nfs/dbraw/zinc/59/84/81/569598481.db2.gz JBAGNOCBFUNLIY-UHFFFAOYSA-N 0 0 487.600 4.945 40 0 JJABRN O=C(CSc1ccc(Cl)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317271 569598599 /nfs/dbraw/zinc/59/85/99/569598599.db2.gz BTGCLOQPLXYFIU-UHFFFAOYSA-N 0 0 453.288 4.991 40 0 JJABRN COc1ccc(Br)cc1C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317284 569598612 /nfs/dbraw/zinc/59/86/12/569598612.db2.gz UMOQAFLMLUUOCG-UHFFFAOYSA-N 0 0 481.671 4.630 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 ZINC000057327829 569598742 /nfs/dbraw/zinc/59/87/42/569598742.db2.gz LXCGZANNJWMCQQ-UHFFFAOYSA-N 0 0 460.559 4.873 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1C ZINC000059472008 569604430 /nfs/dbraw/zinc/60/44/30/569604430.db2.gz PWWZVPMLAAEOIH-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN O=C(Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1)Nc1cccc2ccccc21 ZINC000059474629 569604511 /nfs/dbraw/zinc/60/45/11/569604511.db2.gz SACOLZLXBMFWQY-HHHXNRCGSA-N 0 0 451.482 4.897 40 0 JJABRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NCCOc1ccccc1 ZINC000059474775 569604520 /nfs/dbraw/zinc/60/45/20/569604520.db2.gz HLQSTMNEFIEEOD-UHFFFAOYSA-N 0 0 463.584 4.836 40 0 JJABRN O=C(Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1)Nc1cccc2ccccc21 ZINC000059474624 569604539 /nfs/dbraw/zinc/60/45/39/569604539.db2.gz SACOLZLXBMFWQY-MHZLTWQESA-N 0 0 451.482 4.897 40 0 JJABRN CCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000059489018 569605581 /nfs/dbraw/zinc/60/55/81/569605581.db2.gz BAVKNWAEDYKSJA-GOSISDBHSA-N 0 0 452.146 4.669 40 0 JJABRN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059678011 569607470 /nfs/dbraw/zinc/60/74/70/569607470.db2.gz ARTWCJYCKDXJFA-OCEWKHMESA-N 0 0 485.008 4.981 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3Cl)n2c2cc(C(=O)N[C@@H](C)CC)ccc2c1=O ZINC000032986056 569608682 /nfs/dbraw/zinc/60/86/82/569608682.db2.gz ANSTXMCVVUDCMA-HNNXBMFYSA-N 0 0 484.025 4.928 40 0 JJABRN 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COc1ccccc1N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000137429262 569864897 /nfs/dbraw/zinc/86/48/97/569864897.db2.gz IJQGPHDEVCHEHU-UHFFFAOYSA-N 0 0 468.619 4.568 40 0 JJABRN Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c(C)c4)CC3=O)cc2)cc1 ZINC000138715175 569866268 /nfs/dbraw/zinc/86/62/68/569866268.db2.gz BBZGERVEMYXJKA-OAQYLSRUSA-N 0 0 472.541 4.939 40 0 JJABRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc(C)c1Br ZINC000138859899 569866520 /nfs/dbraw/zinc/86/65/20/569866520.db2.gz VIPPIRPBFAFJOA-HNNXBMFYSA-N 0 0 493.785 4.563 40 0 JJABRN O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1ccccc1C(F)(F)F ZINC000138858019 569866538 /nfs/dbraw/zinc/86/65/38/569866538.db2.gz COYJPOYZEOYTHJ-NSHDSACASA-N 0 0 475.250 4.547 40 0 JJABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Br)c(C)c1C ZINC000138933714 569866726 /nfs/dbraw/zinc/86/67/26/569866726.db2.gz IPPJDQSOBFIJCB-UHFFFAOYSA-N 0 0 475.383 4.919 40 0 JJABRN COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c(C)c4)CC3=O)cc2)cc1 ZINC000139015140 569866794 /nfs/dbraw/zinc/86/67/94/569866794.db2.gz MQZLGTGIEITDSC-HXUWFJFHSA-N 0 0 488.540 4.639 40 0 JJABRN Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(C)cc4C)CC3=O)cc2)cc1 ZINC000139026701 569866869 /nfs/dbraw/zinc/86/68/69/569866869.db2.gz NJMIDWFTDYTOGA-NRFANRHFSA-N 0 0 472.541 4.939 40 0 JJABRN CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)cc1 ZINC000139023558 569866885 /nfs/dbraw/zinc/86/68/85/569866885.db2.gz URCOMXJYCLJIKO-UHFFFAOYSA-N 0 0 489.366 4.559 40 0 JJABRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(C)cc5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000142853385 569867543 /nfs/dbraw/zinc/86/75/43/569867543.db2.gz DTHWDSWMDSMJLF-FUFNRSNVSA-N 0 0 494.616 4.644 40 0 JJABRN COc1ccc(C)cc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000147358282 569867895 /nfs/dbraw/zinc/86/78/95/569867895.db2.gz YOEGAFFBCSNRFJ-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]42)cc1 ZINC000169678302 569869079 /nfs/dbraw/zinc/86/90/79/569869079.db2.gz WRVGMBLWXWIJJY-MZNAPKCPSA-N 0 0 492.597 4.562 40 0 JJABRN Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]42)cc1 ZINC000169678301 569869116 /nfs/dbraw/zinc/86/91/16/569869116.db2.gz WRVGMBLWXWIJJY-MIDILNBFSA-N 0 0 492.597 4.562 40 0 JJABRN COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000169703247 569871529 /nfs/dbraw/zinc/87/15/29/569871529.db2.gz GMSGBLDWKSGRKP-XOMBCNSKSA-N 0 0 461.517 4.897 40 0 JJABRN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)C1 ZINC000170609161 569872785 /nfs/dbraw/zinc/87/27/85/569872785.db2.gz YYMOXZIYUXPJGG-GHTZIAJQSA-N 0 0 461.525 4.737 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1O ZINC000215205660 569877290 /nfs/dbraw/zinc/87/72/90/569877290.db2.gz NHFSFCJHIDYXQY-LICLKQGHSA-N 0 0 481.311 4.632 40 0 JJABRN CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CC(=O)OC)C1=O ZINC000205678652 569874081 /nfs/dbraw/zinc/87/40/81/569874081.db2.gz WHOHSWQASXGYNB-UFFVCSGVSA-N 0 0 455.576 4.762 40 0 JJABRN CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)ccc1Cl ZINC000205708939 569874225 /nfs/dbraw/zinc/87/42/25/569874225.db2.gz GHGCKHZNCYPYAC-VCHYOVAHSA-N 0 0 477.922 4.765 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O)N1CCCCC1 ZINC000205818948 569874432 /nfs/dbraw/zinc/87/44/32/569874432.db2.gz OQDCGCJZEOLEJD-KGENOOAVSA-N 0 0 470.978 4.968 40 0 JJABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000205864779 569874495 /nfs/dbraw/zinc/87/44/95/569874495.db2.gz YZUKDNVUIVJIKW-FYJGNVAPSA-N 0 0 486.977 4.586 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O)N1CCCC1 ZINC000205912386 569874549 /nfs/dbraw/zinc/87/45/49/569874549.db2.gz ZUXBZXXOBZFLGU-LICLKQGHSA-N 0 0 451.331 4.912 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O)N1CCCC1 ZINC000205908658 569874571 /nfs/dbraw/zinc/87/45/71/569874571.db2.gz HSBGLKRNVIONOT-DEDYPNTBSA-N 0 0 456.951 4.578 40 0 JJABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000214147652 569876402 /nfs/dbraw/zinc/87/64/02/569876402.db2.gz HFRWPDLXFSRMQX-YBFXNURJSA-N 0 0 461.923 4.527 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1O ZINC000214222106 569876457 /nfs/dbraw/zinc/87/64/57/569876457.db2.gz DRBCWRTXYXYLNF-CXUHLZMHSA-N 0 0 452.301 4.929 40 0 JJABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br ZINC000214206352 569876460 /nfs/dbraw/zinc/87/64/60/569876460.db2.gz XVGIXELAFHLYFI-RQZCQDPDSA-N 0 0 496.766 4.891 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O[C@@H](C)CC ZINC000214479730 569876691 /nfs/dbraw/zinc/87/66/91/569876691.db2.gz CAQFFRPOKCXEPX-YIRPMMGJSA-N 0 0 454.548 4.938 40 0 JJABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)cc1 ZINC000216345587 569878416 /nfs/dbraw/zinc/87/84/16/569878416.db2.gz QDNTZKAQPNMGNQ-UHFFFAOYSA-N 0 0 450.560 4.839 40 0 JJABRN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1OC ZINC000216346296 569878430 /nfs/dbraw/zinc/87/84/30/569878430.db2.gz GJSDLXREMTYVBJ-UHFFFAOYSA-N 0 0 468.575 4.693 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(OC)c3)cc2)cc1 ZINC000216347998 569878440 /nfs/dbraw/zinc/87/84/40/569878440.db2.gz NUXKWMXDGHQBOM-XMMPIXPASA-N 0 0 484.574 4.691 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000216370469 569878519 /nfs/dbraw/zinc/87/85/19/569878519.db2.gz KLOYDVRSRJTROX-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000216371604 569878525 /nfs/dbraw/zinc/87/85/25/569878525.db2.gz YFTVCGRWSIMQKH-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCSc1ccccc1NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000216413022 569878794 /nfs/dbraw/zinc/87/87/94/569878794.db2.gz KVNMGCIECOJHPV-UHFFFAOYSA-N 0 0 466.934 4.876 40 0 JJABRN O=C(N1CCC[C@H](Cc2cccn3ccnc23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000221972957 569883804 /nfs/dbraw/zinc/88/38/04/569883804.db2.gz CGFAFFYTRGMMNY-FQEVSTJZSA-N 0 0 451.998 4.907 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000222473711 569884545 /nfs/dbraw/zinc/88/45/45/569884545.db2.gz VJPVVIAVPQPNDC-PXDATVDWSA-N 0 0 454.611 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222478357 569884589 /nfs/dbraw/zinc/88/45/89/569884589.db2.gz JXMBSYSGDVFHPQ-CJFMBICVSA-N 0 0 462.590 4.949 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C ZINC000222480258 569884656 /nfs/dbraw/zinc/88/46/56/569884656.db2.gz HVIKXEGBTCLTHB-DEOSSOPVSA-N 0 0 464.993 4.722 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000222491285 569884807 /nfs/dbraw/zinc/88/48/07/569884807.db2.gz XCWMZXNAVVERAO-FDDCHVKYSA-N 0 0 460.615 4.790 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 ZINC000222493810 569884837 /nfs/dbraw/zinc/88/48/37/569884837.db2.gz YZXOXIYVUVTFTL-HSZRJFAPSA-N 0 0 470.997 4.957 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 ZINC000222495139 569884884 /nfs/dbraw/zinc/88/48/84/569884884.db2.gz NUUDHZAYVIZWBO-XMMPIXPASA-N 0 0 450.579 4.694 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc21 ZINC000222527931 569885149 /nfs/dbraw/zinc/88/51/49/569885149.db2.gz OCQWGDLZEISAHP-AREMUKBSSA-N 0 0 470.544 4.744 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCSCc1ccccc1 ZINC000222529343 569885187 /nfs/dbraw/zinc/88/51/87/569885187.db2.gz HMKYRILXHBRTIO-VWLOTQADSA-N 0 0 464.606 4.835 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222535282 569885251 /nfs/dbraw/zinc/88/52/51/569885251.db2.gz ADGNBOQUNONSOS-NLFFAJNJSA-N 0 0 470.610 4.585 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000222537989 569885283 /nfs/dbraw/zinc/88/52/83/569885283.db2.gz DBKJKVUPBKAKGO-HSZRJFAPSA-N 0 0 461.002 4.840 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222541488 569885397 /nfs/dbraw/zinc/88/53/97/569885397.db2.gz SEKHKQNPQWSTES-NBGIEHNGSA-N 0 0 454.611 4.920 40 0 JJABRN Cc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1C ZINC000222545898 569885499 /nfs/dbraw/zinc/88/54/99/569885499.db2.gz BYVXASDYSJYNCQ-MRXNPFEDSA-N 0 0 455.407 4.674 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222569621 569885945 /nfs/dbraw/zinc/88/59/45/569885945.db2.gz BLGCBTDSVCNCSK-UHFFFAOYSA-N 0 0 494.657 4.949 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc12 ZINC000222571454 569886032 /nfs/dbraw/zinc/88/60/32/569886032.db2.gz PBAVLLKGPGPOLQ-SANMLTNESA-N 0 0 470.550 4.891 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222578628 569886179 /nfs/dbraw/zinc/88/61/79/569886179.db2.gz RVBRTKRPNMZIMF-SANMLTNESA-N 0 0 476.592 4.888 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222578774 569886231 /nfs/dbraw/zinc/88/62/31/569886231.db2.gz CSAZQDYWZIMZOU-DEOSSOPVSA-N 0 0 468.956 4.552 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000222589545 569886427 /nfs/dbraw/zinc/88/64/27/569886427.db2.gz KRBATDABTCIHHT-HXUWFJFHSA-N 0 0 481.818 4.813 40 0 JJABRN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1O ZINC000222589838 569886442 /nfs/dbraw/zinc/88/64/42/569886442.db2.gz LBZKSLJSEJVOOC-OBPXBXINSA-N 0 0 454.777 4.801 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000222634809 569887442 /nfs/dbraw/zinc/88/74/42/569887442.db2.gz RSOJQPOPOGVKGP-NSHDSACASA-N 0 0 464.176 4.842 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222638365 569887504 /nfs/dbraw/zinc/88/75/04/569887504.db2.gz ZOUFBGSKUWKBIF-UHFFFAOYSA-N 0 0 490.581 4.699 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222642946 569887626 /nfs/dbraw/zinc/88/76/26/569887626.db2.gz CJUOXGQGNMFYDE-RUZDIDTESA-N 0 0 493.445 4.995 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)C)c(Br)c1 ZINC000222642096 569887629 /nfs/dbraw/zinc/88/76/29/569887629.db2.gz VLTJPPJXLFBYPZ-OAQYLSRUSA-N 0 0 493.417 4.861 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000222644271 569887676 /nfs/dbraw/zinc/88/76/76/569887676.db2.gz QCLAANFMWSLMRA-HSZRJFAPSA-N 0 0 497.458 4.927 40 0 JJABRN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000222659215 569887863 /nfs/dbraw/zinc/88/78/63/569887863.db2.gz PXSQESVVOMHGCA-FQEVSTJZSA-N 0 0 494.613 4.654 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c(Br)c1 ZINC000222661753 569887924 /nfs/dbraw/zinc/88/79/24/569887924.db2.gz QDRXGVWWUXOGLN-QGZVFWFLSA-N 0 0 475.427 4.722 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000222666313 569888022 /nfs/dbraw/zinc/88/80/22/569888022.db2.gz BOCSYZWMEWMPRH-FQEVSTJZSA-N 0 0 454.611 4.749 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc2C)c(C)c1 ZINC000222683354 569888363 /nfs/dbraw/zinc/88/83/63/569888363.db2.gz PNHSIPXFFFXYMD-IBGZPJMESA-N 0 0 480.586 4.675 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)ccc1Br ZINC000222699397 569888927 /nfs/dbraw/zinc/88/89/27/569888927.db2.gz XUXHYVSSXDAOAX-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)ccc1Br ZINC000222699466 569888954 /nfs/dbraw/zinc/88/89/54/569888954.db2.gz XUXHYVSSXDAOAX-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000222705348 569889089 /nfs/dbraw/zinc/88/90/89/569889089.db2.gz IFFLEADLQDXWEZ-OAQYLSRUSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1C(=O)CCC1=O ZINC000222730123 569889740 /nfs/dbraw/zinc/88/97/40/569889740.db2.gz SNVKALCMJWUJOJ-UHFFFAOYSA-N 0 0 494.613 4.617 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1Cl ZINC000222738394 569889899 /nfs/dbraw/zinc/88/98/99/569889899.db2.gz MMWXXGFIKONZIL-KRWDZBQOSA-N 0 0 470.978 4.806 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000222749928 569890170 /nfs/dbraw/zinc/89/01/70/569890170.db2.gz WYZPLMHEKSYEMI-VWLOTQADSA-N 0 0 480.555 4.756 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222750301 569890230 /nfs/dbraw/zinc/89/02/30/569890230.db2.gz VMCHJEUWTQAFKV-FQEVSTJZSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC ZINC000222753623 569890326 /nfs/dbraw/zinc/89/03/26/569890326.db2.gz HZNRSGKKFDHXTK-IBGZPJMESA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222753341 569890327 /nfs/dbraw/zinc/89/03/27/569890327.db2.gz UWUDZWHPLHLTHO-VWLOTQADSA-N 0 0 492.591 4.625 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC ZINC000222753692 569890369 /nfs/dbraw/zinc/89/03/69/569890369.db2.gz HZNRSGKKFDHXTK-LJQANCHMSA-N 0 0 467.393 4.713 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2cccc(C)c2)cc1 ZINC000222755916 569890422 /nfs/dbraw/zinc/89/04/22/569890422.db2.gz MVMDDFPLWWPDQM-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000222761028 569890455 /nfs/dbraw/zinc/89/04/55/569890455.db2.gz SQGHVSKDYKSLLZ-SINAZASISA-N 0 0 460.530 4.786 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222786679 569891036 /nfs/dbraw/zinc/89/10/36/569891036.db2.gz RZYKHSMYUAGLJK-HSZRJFAPSA-N 0 0 489.374 4.897 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222788545 569891087 /nfs/dbraw/zinc/89/10/87/569891087.db2.gz HCAVXPFTWZBJDM-HHHXNRCGSA-N 0 0 476.592 4.925 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222788374 569891115 /nfs/dbraw/zinc/89/11/15/569891115.db2.gz JBFNVIYNGRNKJA-MHZLTWQESA-N 0 0 476.592 4.925 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000222803365 569891508 /nfs/dbraw/zinc/89/15/08/569891508.db2.gz ULTUFBCQGGKBNC-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(C)(=O)=O)c1 ZINC000222806980 569891602 /nfs/dbraw/zinc/89/16/02/569891602.db2.gz SXYSCSRIXSPKEZ-UHFFFAOYSA-N 0 0 485.650 4.505 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)c(C)c2)cc1C ZINC000222809687 569891669 /nfs/dbraw/zinc/89/16/69/569891669.db2.gz RGMOFXHMJUQVRL-UHFFFAOYSA-N 0 0 470.566 4.589 40 0 JJABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1C ZINC000222823026 569891978 /nfs/dbraw/zinc/89/19/78/569891978.db2.gz HKYGSCAHEUPZCZ-UHFFFAOYSA-N 0 0 485.005 4.750 40 0 JJABRN CCc1ccccc1N(CC(=O)NCc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000222831068 569892107 /nfs/dbraw/zinc/89/21/07/569892107.db2.gz RFHSUSFRUTVUTP-UHFFFAOYSA-N 0 0 458.583 4.914 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222834209 569892210 /nfs/dbraw/zinc/89/22/10/569892210.db2.gz KKOAEVJGVJPQBD-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000222839149 569892333 /nfs/dbraw/zinc/89/23/33/569892333.db2.gz CJAKTEOFFNNAGI-SANMLTNESA-N 0 0 476.642 4.623 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222840358 569892397 /nfs/dbraw/zinc/89/23/97/569892397.db2.gz NPPFLXRUKVXYKU-XMMPIXPASA-N 0 0 484.637 4.757 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222842613 569892424 /nfs/dbraw/zinc/89/24/24/569892424.db2.gz JICAJQDHMKILOX-QGZVFWFLSA-N 0 0 477.992 4.785 40 0 JJABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848607 569892619 /nfs/dbraw/zinc/89/26/19/569892619.db2.gz VNZBCVOYHXHDAC-GOSISDBHSA-N 0 0 465.421 4.885 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc4ccccc43)cc2)cc1OC ZINC000222848854 569892667 /nfs/dbraw/zinc/89/26/67/569892667.db2.gz SYKTUAFXXPEJFI-UHFFFAOYSA-N 0 0 490.581 4.612 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000222849941 569892682 /nfs/dbraw/zinc/89/26/82/569892682.db2.gz IFOPQOISHLLSNG-HNNXBMFYSA-N 0 0 481.818 4.813 40 0 JJABRN C[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222851887 569892766 /nfs/dbraw/zinc/89/27/66/569892766.db2.gz IBSQYJFBMCAVPD-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000222856856 569892874 /nfs/dbraw/zinc/89/28/74/569892874.db2.gz MNGDZMXHKFCFRS-PHCAOYFPSA-N 0 0 462.571 4.946 40 0 JJABRN O=C(NCc1cccc2ccccc21)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000222862507 569892980 /nfs/dbraw/zinc/89/29/80/569892980.db2.gz ZDYCPHVSHDVUKM-VWLOTQADSA-N 0 0 492.984 4.766 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl ZINC000222879549 569893346 /nfs/dbraw/zinc/89/33/46/569893346.db2.gz BVZHYIKIASZHOO-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222883562 569893477 /nfs/dbraw/zinc/89/34/77/569893477.db2.gz IZSPNAISZKOIOQ-CQSZACIVSA-N 0 0 451.375 4.618 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222883972 569893501 /nfs/dbraw/zinc/89/35/01/569893501.db2.gz BIZUXYIZYXTHKU-SANMLTNESA-N 0 0 488.628 4.758 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000222884151 569893503 /nfs/dbraw/zinc/89/35/03/569893503.db2.gz JEDAYMVFXRCOGH-GOSISDBHSA-N 0 0 498.982 4.773 40 0 JJABRN C[C@@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921648 569894435 /nfs/dbraw/zinc/89/44/35/569894435.db2.gz MONPIAIJUVQIMI-CQSZACIVSA-N 0 0 488.959 4.881 40 0 JJABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222924559 569894539 /nfs/dbraw/zinc/89/45/39/569894539.db2.gz ZQHHHGAKYBRCBK-IBGZPJMESA-N 0 0 452.957 4.798 40 0 JJABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222926347 569894604 /nfs/dbraw/zinc/89/46/04/569894604.db2.gz KIWMJDKNGJHUTA-SFHVURJKSA-N 0 0 468.956 4.764 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222929875 569894690 /nfs/dbraw/zinc/89/46/90/569894690.db2.gz JUDGVEYEJFDCDL-AWEZNQCLSA-N 0 0 455.407 4.516 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222930217 569894695 /nfs/dbraw/zinc/89/46/95/569894695.db2.gz UKYGELKZQXBXQN-OAQYLSRUSA-N 0 0 492.641 4.788 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222933300 569894784 /nfs/dbraw/zinc/89/47/84/569894784.db2.gz DESWFOMPTYCMTH-FQEVSTJZSA-N 0 0 495.845 4.856 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222938612 569894967 /nfs/dbraw/zinc/89/49/67/569894967.db2.gz FTAUFZPOWFQWOA-RUZDIDTESA-N 0 0 485.628 4.955 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000222941489 569895060 /nfs/dbraw/zinc/89/50/60/569895060.db2.gz IPVYGKIFJMUDDR-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222945112 569895163 /nfs/dbraw/zinc/89/51/63/569895163.db2.gz CDRQTXGDODQPQA-KRWDZBQOSA-N 0 0 461.027 4.884 40 0 JJABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 ZINC000222962401 569895557 /nfs/dbraw/zinc/89/55/57/569895557.db2.gz MLAHVOUCCJFTRE-MOSHPQCFSA-N 0 0 478.961 4.847 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222964981 569895674 /nfs/dbraw/zinc/89/56/74/569895674.db2.gz NMEIGYNSHJZUMY-SFHVURJKSA-N 0 0 475.054 4.638 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222971468 569895817 /nfs/dbraw/zinc/89/58/17/569895817.db2.gz GDULTFNDQINVKA-MRXNPFEDSA-N 0 0 493.417 4.818 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1Br ZINC000222981732 569896031 /nfs/dbraw/zinc/89/60/31/569896031.db2.gz LHVINIUFJJHMGD-GOSISDBHSA-N 0 0 475.427 4.724 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222985338 569896203 /nfs/dbraw/zinc/89/62/03/569896203.db2.gz XXJPUTYSAFZQKJ-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222985936 569896214 /nfs/dbraw/zinc/89/62/14/569896214.db2.gz XZEUOKFMLCWRPH-LSDHHAIUSA-N 0 0 469.434 4.904 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222986645 569896240 /nfs/dbraw/zinc/89/62/40/569896240.db2.gz ROEOAXLMDQEZQI-GOSISDBHSA-N 0 0 477.468 4.853 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222998761 569896527 /nfs/dbraw/zinc/89/65/27/569896527.db2.gz NSIJMUMZRYHKNF-IBGZPJMESA-N 0 0 480.992 4.633 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223012548 569896773 /nfs/dbraw/zinc/89/67/73/569896773.db2.gz ARRDREPBJOCMOX-OAHLLOKOSA-N 0 0 497.419 4.721 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223017814 569896928 /nfs/dbraw/zinc/89/69/28/569896928.db2.gz QXDUROUSARFDNC-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223020502 569896941 /nfs/dbraw/zinc/89/69/41/569896941.db2.gz ABIZNBTXHYXYTR-HNNXBMFYSA-N 0 0 479.404 4.987 40 0 JJABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000223022523 569896999 /nfs/dbraw/zinc/89/69/99/569896999.db2.gz BPKIRQHMUQPZMU-UHFFFAOYSA-N 0 0 460.665 4.638 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCSCc1ccccc1 ZINC000223022054 569897021 /nfs/dbraw/zinc/89/70/21/569897021.db2.gz MCMDYKONDPPNDI-KRWDZBQOSA-N 0 0 463.441 4.626 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223024391 569897040 /nfs/dbraw/zinc/89/70/40/569897040.db2.gz YVIMUESBRIXGRL-MHZLTWQESA-N 0 0 476.592 4.789 40 0 JJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223029633 569897197 /nfs/dbraw/zinc/89/71/97/569897197.db2.gz VTTBXMQSRFRODK-WOJBJXKFSA-N 0 0 476.371 4.862 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223033951 569897413 /nfs/dbraw/zinc/89/74/13/569897413.db2.gz WVIKGVLEOCJVGA-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223035343 569897427 /nfs/dbraw/zinc/89/74/27/569897427.db2.gz RFNACGWUBQUOEV-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041091 569897512 /nfs/dbraw/zinc/89/75/12/569897512.db2.gz LAGQYCHDQBMKPP-XMMPIXPASA-N 0 0 450.604 4.752 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041837 569897581 /nfs/dbraw/zinc/89/75/81/569897581.db2.gz PBOXHGAUMAIFBB-LJQANCHMSA-N 0 0 469.434 4.906 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041907 569897588 /nfs/dbraw/zinc/89/75/88/569897588.db2.gz PBOXHGAUMAIFBB-IBGZPJMESA-N 0 0 469.434 4.906 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223053293 569897873 /nfs/dbraw/zinc/89/78/73/569897873.db2.gz ZKQPRYPIJJHESI-MSOLQXFVSA-N 0 0 477.992 4.785 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223054398 569897906 /nfs/dbraw/zinc/89/79/06/569897906.db2.gz MQJSHRBSMUHLOM-LJQANCHMSA-N 0 0 490.676 4.631 40 0 JJABRN COCc1nn2c(nnc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccc(Cl)cc1 ZINC000223060116 569898097 /nfs/dbraw/zinc/89/80/97/569898097.db2.gz RMWGTXFAVDNKPZ-VCBZYWHSSA-N 0 0 451.958 4.903 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 ZINC000223059702 569898129 /nfs/dbraw/zinc/89/81/29/569898129.db2.gz ZPSBJURRQXLEGV-MHZLTWQESA-N 0 0 458.602 4.650 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061974 569898164 /nfs/dbraw/zinc/89/81/64/569898164.db2.gz MLPHJKSSWSYRDJ-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223062089 569898212 /nfs/dbraw/zinc/89/82/12/569898212.db2.gz FOPHBPXARWQNQN-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223064958 569898328 /nfs/dbraw/zinc/89/83/28/569898328.db2.gz QZDORKXNRKYJEE-OPAMFIHVSA-N 0 0 479.042 4.649 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223069481 569898471 /nfs/dbraw/zinc/89/84/71/569898471.db2.gz FKBOAIIQNUXIJD-KRWDZBQOSA-N 0 0 475.427 4.679 40 0 JJABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223070291 569898552 /nfs/dbraw/zinc/89/85/52/569898552.db2.gz MEMDKBAYACYNCA-SANMLTNESA-N 0 0 479.020 4.675 40 0 JJABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223077337 569898743 /nfs/dbraw/zinc/89/87/43/569898743.db2.gz PFZJVCRTBHSSPK-MHZLTWQESA-N 0 0 458.602 4.868 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223079912 569898846 /nfs/dbraw/zinc/89/88/46/569898846.db2.gz OLAHGYUBPHTFSJ-MHZLTWQESA-N 0 0 482.690 4.807 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223081790 569898871 /nfs/dbraw/zinc/89/88/71/569898871.db2.gz DMTCAWNSCLNKJK-ZDUSSCGKSA-N 0 0 472.210 4.852 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1I ZINC000223084441 569898947 /nfs/dbraw/zinc/89/89/47/569898947.db2.gz ISIQPNFRLFYPRQ-RBUKOAKNSA-N 0 0 480.419 4.936 40 0 JJABRN COc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093449 569899265 /nfs/dbraw/zinc/89/92/65/569899265.db2.gz CUTGWUBOBKBEDX-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN COc1cccc(CCCNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000223101683 569899496 /nfs/dbraw/zinc/89/94/96/569899496.db2.gz FQVDGCNMIOMROE-UHFFFAOYSA-N 0 0 480.630 4.641 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223109744 569899683 /nfs/dbraw/zinc/89/96/83/569899683.db2.gz JPXBZXBWYZRJHL-PKTZIBPZSA-N 0 0 461.027 4.639 40 0 JJABRN CC[C@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223118911 569899942 /nfs/dbraw/zinc/89/99/42/569899942.db2.gz PISYIKRPOAXQCY-VWLOTQADSA-N 0 0 456.652 4.996 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc21 ZINC000223118328 569899970 /nfs/dbraw/zinc/89/99/70/569899970.db2.gz DVYIAHNDNRYRCJ-MHZLTWQESA-N 0 0 466.581 4.995 40 0 JJABRN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1 ZINC000223119885 569899996 /nfs/dbraw/zinc/89/99/96/569899996.db2.gz SQMNTYKEMIHRKJ-VWLOTQADSA-N 0 0 450.966 4.625 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223121370 569900086 /nfs/dbraw/zinc/90/00/86/569900086.db2.gz WRZIIAPFWAGSCX-ROUUACIJSA-N 0 0 493.417 4.916 40 0 JJABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000223127444 569900360 /nfs/dbraw/zinc/90/03/60/569900360.db2.gz GEEGNPVRABAODK-QGZVFWFLSA-N 0 0 464.893 4.551 40 0 JJABRN COc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1OC ZINC000223134183 569900651 /nfs/dbraw/zinc/90/06/51/569900651.db2.gz GMWAJPAAMZMVKL-XLNRJJMWSA-N 0 0 464.587 4.594 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000223137788 569900783 /nfs/dbraw/zinc/90/07/83/569900783.db2.gz LEMQXNNPOODPQP-UHFFFAOYSA-N 0 0 482.964 4.981 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000223138736 569900841 /nfs/dbraw/zinc/90/08/41/569900841.db2.gz ICOIKBGQCDPVTR-UHFFFAOYSA-N 0 0 464.631 4.945 40 0 JJABRN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223153084 569901328 /nfs/dbraw/zinc/90/13/28/569901328.db2.gz CXORQXNSTGDUAC-KRWDZBQOSA-N 0 0 462.921 4.528 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223161210 569901541 /nfs/dbraw/zinc/90/15/41/569901541.db2.gz CNMHZOGQBWWNCB-BJKOFHAPSA-N 0 0 483.037 4.608 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223162781 569901550 /nfs/dbraw/zinc/90/15/50/569901550.db2.gz PYOFKSRXDSQWTN-HHHXNRCGSA-N 0 0 458.602 4.930 40 0 JJABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)cc1Cl ZINC000223161662 569901558 /nfs/dbraw/zinc/90/15/58/569901558.db2.gz SLPOIYXTLRVKBJ-RPWUZVMVSA-N 0 0 483.037 4.608 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223161950 569901593 /nfs/dbraw/zinc/90/15/93/569901593.db2.gz HLESZSXIKVWQPC-SFHVURJKSA-N 0 0 499.032 4.910 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223169721 569901871 /nfs/dbraw/zinc/90/18/71/569901871.db2.gz ZGJYFUJXIJFWKX-AREMUKBSSA-N 0 0 488.628 4.721 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c2ccc(C)cc2)cc1 ZINC000223172736 569902022 /nfs/dbraw/zinc/90/20/22/569902022.db2.gz ROIKUQBGRCILQT-FQEVSTJZSA-N 0 0 478.614 4.565 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223174646 569902063 /nfs/dbraw/zinc/90/20/63/569902063.db2.gz COIARGFNUYIJET-WOJBJXKFSA-N 0 0 478.614 5.000 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl ZINC000223181243 569902381 /nfs/dbraw/zinc/90/23/81/569902381.db2.gz AEGPRSOGLOMWSS-HZPDHXFCSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C ZINC000223184286 569902614 /nfs/dbraw/zinc/90/26/14/569902614.db2.gz QAAQYCULIQYWGW-RTBURBONSA-N 0 0 475.427 4.777 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC)cc1OCC ZINC000223186918 569902676 /nfs/dbraw/zinc/90/26/76/569902676.db2.gz BZMBGWOYZLIEBF-NRFANRHFSA-N 0 0 461.002 4.623 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)ccc1C ZINC000223188557 569902724 /nfs/dbraw/zinc/90/27/24/569902724.db2.gz BKWJGYWFVCBYAM-RBUKOAKNSA-N 0 0 459.428 4.940 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)S(C)(=O)=O)c1 ZINC000223191524 569902765 /nfs/dbraw/zinc/90/27/65/569902765.db2.gz MAZOMUWEXDOOPW-FQEVSTJZSA-N 0 0 462.615 4.941 40 0 JJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000223201804 569903235 /nfs/dbraw/zinc/90/32/35/569903235.db2.gz BLZHVGHDUFLQNP-HSZRJFAPSA-N 0 0 486.634 4.545 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223200966 569903246 /nfs/dbraw/zinc/90/32/46/569903246.db2.gz FRDSBZGQUAVRAA-RTBURBONSA-N 0 0 459.428 4.940 40 0 JJABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1Cl ZINC000223204482 569903344 /nfs/dbraw/zinc/90/33/44/569903344.db2.gz PHPZOVLHXAOCGP-RPBOFIJWSA-N 0 0 497.064 4.998 40 0 JJABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223207871 569903521 /nfs/dbraw/zinc/90/35/21/569903521.db2.gz BNEKMUYHCMDXNC-MHZLTWQESA-N 0 0 476.592 4.551 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl ZINC000223211780 569903648 /nfs/dbraw/zinc/90/36/48/569903648.db2.gz VTPDZDNWIMPGNG-XMMPIXPASA-N 0 0 464.993 4.803 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCCCC1 ZINC000223213026 569903689 /nfs/dbraw/zinc/90/36/89/569903689.db2.gz QTRTVIPSZLVGAJ-GOSISDBHSA-N 0 0 472.676 4.953 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 ZINC000223222234 569903974 /nfs/dbraw/zinc/90/39/74/569903974.db2.gz KSAAJYSKOULJCM-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223230004 569904248 /nfs/dbraw/zinc/90/42/48/569904248.db2.gz YBIAETLTWFNJAU-GOSISDBHSA-N 0 0 461.002 4.623 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223234483 569904426 /nfs/dbraw/zinc/90/44/26/569904426.db2.gz GIWKNNPMVXSJPG-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223236695 569904480 /nfs/dbraw/zinc/90/44/80/569904480.db2.gz FCMKBWSPVUNZMD-MOPGFXCFSA-N 0 0 459.428 4.940 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C ZINC000223240608 569904610 /nfs/dbraw/zinc/90/46/10/569904610.db2.gz GFWPKUVBKRFURH-RTBURBONSA-N 0 0 475.427 4.777 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223241438 569904682 /nfs/dbraw/zinc/90/46/82/569904682.db2.gz RHOLMUHACYXLKN-DEOSSOPVSA-N 0 0 480.992 4.504 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223244826 569904789 /nfs/dbraw/zinc/90/47/89/569904789.db2.gz UKYIDZJMZBDRCR-RBUKOAKNSA-N 0 0 459.428 4.940 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000223253757 569904974 /nfs/dbraw/zinc/90/49/74/569904974.db2.gz RPSLHULCTUVOJG-NDEPHWFRSA-N 0 0 492.641 4.627 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000223255742 569905105 /nfs/dbraw/zinc/90/51/05/569905105.db2.gz BNHBXXHAPOALGX-HOTGVXAUSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223257633 569905144 /nfs/dbraw/zinc/90/51/44/569905144.db2.gz GHGUAJFDPXMHJF-MOPGFXCFSA-N 0 0 459.428 4.940 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000223262771 569905309 /nfs/dbraw/zinc/90/53/09/569905309.db2.gz FBOXVSYFRFKVRX-YPFLROGLSA-N 0 0 464.587 4.728 40 0 JJABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223264996 569905364 /nfs/dbraw/zinc/90/53/64/569905364.db2.gz OBBBUWKGGTZEHJ-QGZVFWFLSA-N 0 0 483.339 4.873 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223267660 569905402 /nfs/dbraw/zinc/90/54/02/569905402.db2.gz HMBLIODJEXLUTJ-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223268390 569905499 /nfs/dbraw/zinc/90/54/99/569905499.db2.gz UCBDMTRIUNSCQP-NDEPHWFRSA-N 0 0 488.628 4.803 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1Br ZINC000223270918 569905637 /nfs/dbraw/zinc/90/56/37/569905637.db2.gz ABYXVYFNPLUDNN-QGZVFWFLSA-N 0 0 493.417 4.863 40 0 JJABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223275371 569905854 /nfs/dbraw/zinc/90/58/54/569905854.db2.gz KJDRFTKABLQHGC-MHZLTWQESA-N 0 0 458.602 4.794 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000223277987 569905937 /nfs/dbraw/zinc/90/59/37/569905937.db2.gz HOJVUCQLWQZXGK-GDLZYMKVSA-N 0 0 493.607 4.589 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000223277915 569905958 /nfs/dbraw/zinc/90/59/58/569905958.db2.gz HOJVUCQLWQZXGK-LJAQVGFWSA-N 0 0 493.607 4.589 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000223278067 569905959 /nfs/dbraw/zinc/90/59/59/569905959.db2.gz OSHWVRXRUYFCIX-LJAQVGFWSA-N 0 0 493.607 4.589 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccccc1F ZINC000223280167 569905991 /nfs/dbraw/zinc/90/59/91/569905991.db2.gz NCVORQZELBJFNI-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C(C)C ZINC000223286778 569906273 /nfs/dbraw/zinc/90/62/73/569906273.db2.gz UKGPOCLTSJZHKV-INIZCTEOSA-N 0 0 486.556 4.789 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2cccc(Cl)c2)cc1 ZINC000223301589 569906668 /nfs/dbraw/zinc/90/66/68/569906668.db2.gz DDNFGPCKUMRQTQ-UHFFFAOYSA-N 0 0 471.022 4.981 40 0 JJABRN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223302692 569906674 /nfs/dbraw/zinc/90/66/74/569906674.db2.gz SJDCECGCOOSGIB-SFHVURJKSA-N 0 0 462.921 4.528 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223306512 569906775 /nfs/dbraw/zinc/90/67/75/569906775.db2.gz SJIVAJVMECBNPF-HXUWFJFHSA-N 0 0 484.383 4.660 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1C(C)C ZINC000223308386 569906845 /nfs/dbraw/zinc/90/68/45/569906845.db2.gz VOAFJVKQCUQSBG-IBGZPJMESA-N 0 0 458.624 4.711 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223309515 569906911 /nfs/dbraw/zinc/90/69/11/569906911.db2.gz RIBLOTIGOYOADH-KCWPFWIISA-N 0 0 458.602 4.929 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1Cl ZINC000223310449 569906965 /nfs/dbraw/zinc/90/69/65/569906965.db2.gz SKMBCLCBVHYMIN-IRXDYDNUSA-N 0 0 497.057 4.821 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223314471 569907115 /nfs/dbraw/zinc/90/71/15/569907115.db2.gz WFUIEEXCOBOGGD-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223316467 569907206 /nfs/dbraw/zinc/90/72/06/569907206.db2.gz QSWCYTIVZCDILJ-OZXSUGGESA-N 0 0 488.628 4.937 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223315845 569907224 /nfs/dbraw/zinc/90/72/24/569907224.db2.gz BOYYDXJCAUUFIR-DEOSSOPVSA-N 0 0 452.957 4.798 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223316600 569907295 /nfs/dbraw/zinc/90/72/95/569907295.db2.gz VDDPSCPPKBDPRW-IBGZPJMESA-N 0 0 457.785 4.887 40 0 JJABRN O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223318076 569907300 /nfs/dbraw/zinc/90/73/00/569907300.db2.gz PXEPYNGSDHHIJX-WNCULLNHSA-N 0 0 493.003 4.784 40 0 JJABRN O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223318186 569907345 /nfs/dbraw/zinc/90/73/45/569907345.db2.gz PXEPYNGSDHHIJX-YIXXDRMTSA-N 0 0 493.003 4.784 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000223318667 569907370 /nfs/dbraw/zinc/90/73/70/569907370.db2.gz OJDFFRTVRDZDRS-NYVOZVTQSA-N 0 0 483.435 4.786 40 0 JJABRN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)ccc1Cl ZINC000223320720 569907442 /nfs/dbraw/zinc/90/74/42/569907442.db2.gz UONWKKFIQAHWAC-OFAXGOBFSA-N 0 0 453.011 4.986 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C(C)C ZINC000223337593 569907936 /nfs/dbraw/zinc/90/79/36/569907936.db2.gz RMXSFJQJFCKSPG-HXUWFJFHSA-N 0 0 472.651 4.546 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223351003 569908309 /nfs/dbraw/zinc/90/83/09/569908309.db2.gz ZYBHRRDDSXJQDV-FQEVSTJZSA-N 0 0 484.383 4.660 40 0 JJABRN CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354145 569908395 /nfs/dbraw/zinc/90/83/95/569908395.db2.gz GTKDNEQYFWLOPM-MUUNZHRXSA-N 0 0 458.602 4.931 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223354208 569908407 /nfs/dbraw/zinc/90/84/07/569908407.db2.gz GTKDNEQYFWLOPM-NDEPHWFRSA-N 0 0 458.602 4.931 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223356104 569908442 /nfs/dbraw/zinc/90/84/42/569908442.db2.gz QLIXKJKUOIXYAV-HXUWFJFHSA-N 0 0 458.986 4.723 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1C(C)C ZINC000223356444 569908478 /nfs/dbraw/zinc/90/84/78/569908478.db2.gz PHYPKMXWCNYYTB-IBGZPJMESA-N 0 0 458.624 4.544 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000223360169 569908642 /nfs/dbraw/zinc/90/86/42/569908642.db2.gz FPKPCCUYLSBXKB-UHFFFAOYSA-N 0 0 485.252 4.976 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223360872 569908690 /nfs/dbraw/zinc/90/86/90/569908690.db2.gz LWOZNIYWVBCQFG-LJQANCHMSA-N 0 0 457.785 4.887 40 0 JJABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000223362162 569908769 /nfs/dbraw/zinc/90/87/69/569908769.db2.gz ZTDBXODZBQTFJI-CYFREDJKSA-N 0 0 490.666 4.948 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223367134 569909025 /nfs/dbraw/zinc/90/90/25/569909025.db2.gz FDQLHLYBNCFMSZ-MUUNZHRXSA-N 0 0 465.553 4.547 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368611 569909106 /nfs/dbraw/zinc/90/91/06/569909106.db2.gz MHBHUDWEXROFMO-PKTZIBPZSA-N 0 0 459.527 4.894 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368554 569909111 /nfs/dbraw/zinc/90/91/11/569909111.db2.gz MHBHUDWEXROFMO-DHIUTWEWSA-N 0 0 459.527 4.894 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223369097 569909121 /nfs/dbraw/zinc/90/91/21/569909121.db2.gz GQRLRHJWAZWHIT-GOTSBHOMSA-N 0 0 459.527 4.894 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC ZINC000223377313 569909347 /nfs/dbraw/zinc/90/93/47/569909347.db2.gz YFTZPCMMRPRTBO-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1C(C)C ZINC000223384551 569909460 /nfs/dbraw/zinc/90/94/60/569909460.db2.gz JMXIVQKJLWIFFB-HNNXBMFYSA-N 0 0 450.626 4.847 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223404518 569910059 /nfs/dbraw/zinc/91/00/59/569910059.db2.gz GHQQMBCJLKPPPF-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 ZINC000223405927 569910109 /nfs/dbraw/zinc/91/01/09/569910109.db2.gz PULFXFZHEGGPAH-JWQCQUIFSA-N 0 0 468.582 4.832 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223406339 569910173 /nfs/dbraw/zinc/91/01/73/569910173.db2.gz HEFUFIMQWNDBAU-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc(OC)cc1 ZINC000223410697 569910409 /nfs/dbraw/zinc/91/04/09/569910409.db2.gz SURZOPWVFWIPNQ-SANMLTNESA-N 0 0 494.632 4.844 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223413532 569910497 /nfs/dbraw/zinc/91/04/97/569910497.db2.gz WFPLTUBOGDCRIN-HXUWFJFHSA-N 0 0 469.434 4.789 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000223425691 569910925 /nfs/dbraw/zinc/91/09/25/569910925.db2.gz JOQARAPIYCKEMU-FQEVSTJZSA-N 0 0 466.603 4.937 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223427840 569910986 /nfs/dbraw/zinc/91/09/86/569910986.db2.gz PBRCIRRLTNETLC-JOCHJYFZSA-N 0 0 475.564 4.661 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223433153 569911224 /nfs/dbraw/zinc/91/12/24/569911224.db2.gz INMPCFYISAECQE-JWQCQUIFSA-N 0 0 456.571 4.759 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSCc2cccc(C)c2)cc1 ZINC000223444897 569911571 /nfs/dbraw/zinc/91/15/71/569911571.db2.gz JACHQNFLYXJTAV-KQWNVCNZSA-N 0 0 466.628 4.886 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000223445949 569911580 /nfs/dbraw/zinc/91/15/80/569911580.db2.gz QTHMZIDZAIOKLA-UHFFFAOYSA-N 0 0 485.418 4.697 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223447831 569911725 /nfs/dbraw/zinc/91/17/25/569911725.db2.gz FYWMNHDUGFNDJJ-NRFANRHFSA-N 0 0 499.405 4.543 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1ccncc1 ZINC000223451033 569911754 /nfs/dbraw/zinc/91/17/54/569911754.db2.gz GMCMFGYGNISTIS-JWQCQUIFSA-N 0 0 454.603 4.511 40 0 JJABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223456408 569911899 /nfs/dbraw/zinc/91/18/99/569911899.db2.gz NOBHIEJIKXGBRP-XMMPIXPASA-N 0 0 454.929 4.764 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1C ZINC000223460417 569912042 /nfs/dbraw/zinc/91/20/42/569912042.db2.gz GGIZTDCVCQAHAY-IBGZPJMESA-N 0 0 463.043 4.684 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1C ZINC000223460551 569912076 /nfs/dbraw/zinc/91/20/76/569912076.db2.gz LQZMUTZTJHTNRU-IBGZPJMESA-N 0 0 463.043 4.684 40 0 JJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl 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ZINC000223589521 569917112 /nfs/dbraw/zinc/91/71/12/569917112.db2.gz UQIZNNAEWXUCSR-UHFFFAOYSA-N 0 0 492.572 4.678 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223597059 569917341 /nfs/dbraw/zinc/91/73/41/569917341.db2.gz BENLBWXSIQLRPL-UHFFFAOYSA-N 0 0 487.021 4.520 40 0 JJABRN CC(C)CSc1nnc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)s1 ZINC000223598742 569917362 /nfs/dbraw/zinc/91/73/62/569917362.db2.gz JPFYLJCMPGTLPJ-UHFFFAOYSA-N 0 0 476.649 4.505 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1 ZINC000223600118 569917461 /nfs/dbraw/zinc/91/74/61/569917461.db2.gz QTSDZJSXFUKOMT-UHFFFAOYSA-N 0 0 474.985 4.650 40 0 JJABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(C)(=O)=O)c1C ZINC000223602753 569917498 /nfs/dbraw/zinc/91/74/98/569917498.db2.gz ZFVRMYSZEPBEPA-UHFFFAOYSA-N 0 0 485.650 4.505 40 0 JJABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223603901 569917560 /nfs/dbraw/zinc/91/75/60/569917560.db2.gz BKKJQTNMNMUKGX-UHFFFAOYSA-N 0 0 469.607 4.958 40 0 JJABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 ZINC000223603816 569917595 /nfs/dbraw/zinc/91/75/95/569917595.db2.gz GMQCXEJLCFMWKG-UHFFFAOYSA-N 0 0 455.580 4.784 40 0 JJABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000223605129 569917619 /nfs/dbraw/zinc/91/76/19/569917619.db2.gz XOSVXFKLYDCHBP-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2)c2ccc(C)c(Cl)c2)cc1 ZINC000223606786 569917698 /nfs/dbraw/zinc/91/76/98/569917698.db2.gz HVCPMZGMPJZNKX-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000223617787 569918007 /nfs/dbraw/zinc/91/80/07/569918007.db2.gz FIZGZCCAKSEPBO-XMMPIXPASA-N 0 0 462.590 4.949 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223618171 569918037 /nfs/dbraw/zinc/91/80/37/569918037.db2.gz QEFMVKJQEHLPFD-QFIPXVFZSA-N 0 0 461.002 4.758 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000223617195 569918056 /nfs/dbraw/zinc/91/80/56/569918056.db2.gz HDRPDHUYLLQLCK-QNGOZBTKSA-N 0 0 456.951 4.621 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1C(=O)N1CCC(C)CC1 ZINC000223618639 569918083 /nfs/dbraw/zinc/91/80/83/569918083.db2.gz FOABUSPJIXPEMH-UHFFFAOYSA-N 0 0 498.670 4.791 40 0 JJABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)Cc1c(F)cccc1Cl ZINC000223632617 569918451 /nfs/dbraw/zinc/91/84/51/569918451.db2.gz CGAQILMAOKKHMC-UHFFFAOYSA-N 0 0 451.951 4.788 40 0 JJABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223632966 569918461 /nfs/dbraw/zinc/91/84/61/569918461.db2.gz BNSZGTZTBNOWQJ-WOJBJXKFSA-N 0 0 476.371 4.598 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223633766 569918523 /nfs/dbraw/zinc/91/85/23/569918523.db2.gz IDURKPYHHXINMN-QFIPXVFZSA-N 0 0 475.010 4.541 40 0 JJABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223633311 569918531 /nfs/dbraw/zinc/91/85/31/569918531.db2.gz VYVBHWGOMIRXIG-VQTJNVASSA-N 0 0 476.371 4.598 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223641281 569918744 /nfs/dbraw/zinc/91/87/44/569918744.db2.gz RYSZOERNVPNRPZ-RPWUZVMVSA-N 0 0 483.037 4.987 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1NC(=O)C(C)C ZINC000223644411 569918793 /nfs/dbraw/zinc/91/87/93/569918793.db2.gz LUAOXRWQMLATQR-UHFFFAOYSA-N 0 0 458.605 4.514 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000223647992 569918829 /nfs/dbraw/zinc/91/88/29/569918829.db2.gz XSRZPMUXHAUHJJ-YADHBBJMSA-N 0 0 453.589 4.670 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223646908 569918847 /nfs/dbraw/zinc/91/88/47/569918847.db2.gz NISLAYZDYVJQJC-QHCPKHFHSA-N 0 0 454.611 4.669 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1OC ZINC000223653476 569919050 /nfs/dbraw/zinc/91/90/50/569919050.db2.gz YPQBOYYBNLXCRG-BWKNWUBXSA-N 0 0 492.591 4.768 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223663052 569919358 /nfs/dbraw/zinc/91/93/58/569919358.db2.gz FMNIVYFAZPTGJB-XMMPIXPASA-N 0 0 454.611 4.920 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000223670869 569919572 /nfs/dbraw/zinc/91/95/72/569919572.db2.gz ZNOWKXDDSYHPJZ-FGZHOGPDSA-N 0 0 455.967 4.839 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)cc1 ZINC000223685756 569919861 /nfs/dbraw/zinc/91/98/61/569919861.db2.gz CTSQIGKLBDMKTC-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(Br)cc1 ZINC000223686269 569919943 /nfs/dbraw/zinc/91/99/43/569919943.db2.gz XBVIRPAGDGAOPT-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)cc1 ZINC000223689277 569920073 /nfs/dbraw/zinc/92/00/73/569920073.db2.gz LPAUQGVZLBKTRE-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223694761 569920235 /nfs/dbraw/zinc/92/02/35/569920235.db2.gz GHCIALZBOHEUEX-UHFFFAOYSA-N 0 0 481.058 4.687 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 ZINC000223696368 569920256 /nfs/dbraw/zinc/92/02/56/569920256.db2.gz JVEFBJQXNFSWSK-ZBLYBZFDSA-N 0 0 476.592 4.932 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223697675 569920303 /nfs/dbraw/zinc/92/03/03/569920303.db2.gz KWDVVAGIUKXCRO-HSZRJFAPSA-N 0 0 471.601 4.565 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223697619 569920324 /nfs/dbraw/zinc/92/03/24/569920324.db2.gz KWDVVAGIUKXCRO-QHCPKHFHSA-N 0 0 471.601 4.565 40 0 JJABRN CN(c1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1)S(=O)(=O)c1cccs1 ZINC000223703525 569920495 /nfs/dbraw/zinc/92/04/95/569920495.db2.gz QRILQSBNUFXJSV-UHFFFAOYSA-N 0 0 472.632 4.680 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000223705422 569920582 /nfs/dbraw/zinc/92/05/82/569920582.db2.gz AAJOSXHMMJFACZ-FGZHOGPDSA-N 0 0 455.967 4.839 40 0 JJABRN Cc1ccc2c(c1)[C@H](NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000223711250 569920758 /nfs/dbraw/zinc/92/07/58/569920758.db2.gz SQRZTRONQZLGIH-HXUWFJFHSA-N 0 0 479.042 4.922 40 0 JJABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223714171 569920862 /nfs/dbraw/zinc/92/08/62/569920862.db2.gz DMZHMNFZLDATLD-JOCHJYFZSA-N 0 0 480.630 4.775 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Br ZINC000223714262 569920863 /nfs/dbraw/zinc/92/08/63/569920863.db2.gz UUOQGNTYKGWUHQ-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223720136 569921032 /nfs/dbraw/zinc/92/10/32/569921032.db2.gz NNVOHNHGSUUUIA-DNQXCXABSA-N 0 0 454.640 4.931 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223724051 569921184 /nfs/dbraw/zinc/92/11/84/569921184.db2.gz FQDNLGYWDTZUFS-UHFFFAOYSA-N 0 0 498.620 4.822 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccccc3C(C)(C)C)c2)cc1 ZINC000223729862 569921416 /nfs/dbraw/zinc/92/14/16/569921416.db2.gz HDKLMSYUXIJYEZ-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000223742504 569921815 /nfs/dbraw/zinc/92/18/15/569921815.db2.gz VWIANSPHOQPSGE-UHFFFAOYSA-N 0 0 496.654 4.766 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223745966 569921916 /nfs/dbraw/zinc/92/19/16/569921916.db2.gz VPUMFHPGAMDBMF-MRXNPFEDSA-N 0 0 493.829 4.957 40 0 JJABRN C[C@@H](CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000223750304 569922076 /nfs/dbraw/zinc/92/20/76/569922076.db2.gz QBPVCLWOCKXEMY-SFHVURJKSA-N 0 0 456.995 4.840 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000223760615 569922389 /nfs/dbraw/zinc/92/23/89/569922389.db2.gz LENUNHIQPFZHTD-UHFFFAOYSA-N 0 0 466.603 4.585 40 0 JJABRN CCc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000223761222 569922419 /nfs/dbraw/zinc/92/24/19/569922419.db2.gz DEOPJKGIPOHIDT-UHFFFAOYSA-N 0 0 480.630 4.763 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000223762229 569922479 /nfs/dbraw/zinc/92/24/79/569922479.db2.gz NQJAGVZXXRNEPH-UHFFFAOYSA-N 0 0 466.603 4.585 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)cc1 ZINC000223763557 569922544 /nfs/dbraw/zinc/92/25/44/569922544.db2.gz CQAJJTXBOLMIQK-UHFFFAOYSA-N 0 0 466.603 4.752 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223766089 569922607 /nfs/dbraw/zinc/92/26/07/569922607.db2.gz UDPFKGOYHPGOPZ-AREMUKBSSA-N 0 0 495.019 4.812 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223766770 569922626 /nfs/dbraw/zinc/92/26/26/569922626.db2.gz VUAVKQIANIANQL-MHZLTWQESA-N 0 0 488.628 4.775 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223771987 569922794 /nfs/dbraw/zinc/92/27/94/569922794.db2.gz OACKBPDQQJPCQK-UHFFFAOYSA-N 0 0 494.657 4.955 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223777731 569922979 /nfs/dbraw/zinc/92/29/79/569922979.db2.gz UGTSPRGURCFSHF-RUZDIDTESA-N 0 0 482.983 4.806 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223776890 569922997 /nfs/dbraw/zinc/92/29/97/569922997.db2.gz QBKBHQHVXQOYPO-UHFFFAOYSA-N 0 0 487.449 4.858 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)S(C)(=O)=O)c1 ZINC000223780530 569923081 /nfs/dbraw/zinc/92/30/81/569923081.db2.gz JUWWBFNRPLUPHY-UHFFFAOYSA-N 0 0 476.649 4.566 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1 ZINC000223781886 569923158 /nfs/dbraw/zinc/92/31/58/569923158.db2.gz FJPVXIQEZDAJLY-DQEYMECFSA-N 0 0 484.581 4.845 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223791489 569923445 /nfs/dbraw/zinc/92/34/45/569923445.db2.gz SANMERITKRITAS-UHFFFAOYSA-N 0 0 479.385 4.974 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000223792813 569923482 /nfs/dbraw/zinc/92/34/82/569923482.db2.gz DEEGDFZVBYTSPQ-OAQYLSRUSA-N 0 0 450.604 4.803 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000223793350 569923562 /nfs/dbraw/zinc/92/35/62/569923562.db2.gz KKTQMIHKBDYMFE-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811913 569924048 /nfs/dbraw/zinc/92/40/48/569924048.db2.gz LEVXPDBTDGKBJI-GOSISDBHSA-N 0 0 473.411 4.612 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223820146 569924257 /nfs/dbraw/zinc/92/42/57/569924257.db2.gz WXNQTDPTUYUPRL-MRXNPFEDSA-N 0 0 493.829 4.957 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223825637 569924397 /nfs/dbraw/zinc/92/43/97/569924397.db2.gz QMGFGQNZQMTYDW-SFHVURJKSA-N 0 0 470.997 4.520 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223830437 569924555 /nfs/dbraw/zinc/92/45/55/569924555.db2.gz KXXQQUIPTSHERK-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223829328 569924581 /nfs/dbraw/zinc/92/45/81/569924581.db2.gz IZYWIAAMNZHOIU-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223830765 569924593 /nfs/dbraw/zinc/92/45/93/569924593.db2.gz PADBSEUXEUPQRN-KRWDZBQOSA-N 0 0 451.394 4.933 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000223842112 569924857 /nfs/dbraw/zinc/92/48/57/569924857.db2.gz ZCQARBRFJXESOH-UHFFFAOYSA-N 0 0 456.995 4.587 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cccc(Cl)c2)cc1 ZINC000223837129 569924761 /nfs/dbraw/zinc/92/47/61/569924761.db2.gz FVGREZCZCBROIB-UHFFFAOYSA-N 0 0 467.031 4.875 40 0 JJABRN CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000223838398 569924793 /nfs/dbraw/zinc/92/47/93/569924793.db2.gz DGVZDSYSJWYMIO-UHFFFAOYSA-N 0 0 482.627 4.592 40 0 JJABRN Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1I ZINC000223845987 569924907 /nfs/dbraw/zinc/92/49/07/569924907.db2.gz WFUSBOOBLXEJGR-OALUTQOASA-N 0 0 490.370 4.514 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1I ZINC000223845820 569924918 /nfs/dbraw/zinc/92/49/18/569924918.db2.gz WFUSBOOBLXEJGR-RTBURBONSA-N 0 0 490.370 4.514 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223846602 569924975 /nfs/dbraw/zinc/92/49/75/569924975.db2.gz YJWCUGPJOFNTDP-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN CN(c1ccccc1C(=O)Nc1ccc(Cc2ccncc2)cc1)S(=O)(=O)c1ccccc1 ZINC000223864864 569925520 /nfs/dbraw/zinc/92/55/20/569925520.db2.gz PZHIWRNDMNBWLT-UHFFFAOYSA-N 0 0 457.555 4.750 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223866902 569925620 /nfs/dbraw/zinc/92/56/20/569925620.db2.gz ZFDMSFOKDXMMRN-OAHLLOKOSA-N 0 0 467.368 4.987 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223869077 569925674 /nfs/dbraw/zinc/92/56/74/569925674.db2.gz FGZBKIIATVYSQF-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223880352 569926086 /nfs/dbraw/zinc/92/60/86/569926086.db2.gz MRELJOJDFDHKKB-DNQXCXABSA-N 0 0 470.554 4.542 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223890121 569926405 /nfs/dbraw/zinc/92/64/05/569926405.db2.gz PSRBTWGZUAXSAS-RPBOFIJWSA-N 0 0 454.603 4.570 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc(C)c1Cl ZINC000223891736 569926459 /nfs/dbraw/zinc/92/64/59/569926459.db2.gz OQHPWCFXMXYICY-GOSISDBHSA-N 0 0 460.977 4.951 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223900136 569926685 /nfs/dbraw/zinc/92/66/85/569926685.db2.gz UBGBJAQMATVYPN-LJQANCHMSA-N 0 0 454.586 4.978 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223900589 569926691 /nfs/dbraw/zinc/92/66/91/569926691.db2.gz GLFLBRGAHAYOSQ-UHFFFAOYSA-N 0 0 484.593 4.514 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223906744 569926871 /nfs/dbraw/zinc/92/68/71/569926871.db2.gz CFDRGLALXFLABK-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223908075 569926893 /nfs/dbraw/zinc/92/68/93/569926893.db2.gz LOGSSUGOJNRVCF-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN CCOc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000223908800 569926949 /nfs/dbraw/zinc/92/69/49/569926949.db2.gz PCRQSHQCNBHTPQ-HXUWFJFHSA-N 0 0 498.670 4.922 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223909646 569926979 /nfs/dbraw/zinc/92/69/79/569926979.db2.gz ZMFLPNCXHLWJHC-CQSZACIVSA-N 0 0 457.785 4.887 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223909758 569927005 /nfs/dbraw/zinc/92/70/05/569927005.db2.gz DKBDUYOYJAMQEX-RPBOFIJWSA-N 0 0 454.603 4.570 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1C ZINC000223914709 569927088 /nfs/dbraw/zinc/92/70/88/569927088.db2.gz GTQORYSCBIYJPD-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223918070 569927237 /nfs/dbraw/zinc/92/72/37/569927237.db2.gz RJSPWFKHXILYIH-IZZNHLLZSA-N 0 0 497.624 4.902 40 0 JJABRN CN(c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223917905 569927255 /nfs/dbraw/zinc/92/72/55/569927255.db2.gz IAHIEGJRTBGUBO-UHFFFAOYSA-N 0 0 463.386 4.791 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(N2CCOCC2)cc1 ZINC000223920293 569927334 /nfs/dbraw/zinc/92/73/34/569927334.db2.gz WKXUPLQYWCLXMQ-RTWAWAEBSA-N 0 0 457.024 4.810 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223920838 569927355 /nfs/dbraw/zinc/92/73/55/569927355.db2.gz VVWRGCRDRKILMB-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)c(C)c1 ZINC000223922748 569927438 /nfs/dbraw/zinc/92/74/38/569927438.db2.gz XJAIWFAWVMIKDM-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 ZINC000223924885 569927534 /nfs/dbraw/zinc/92/75/34/569927534.db2.gz YSLFRALMRFTEFL-IZZNHLLZSA-N 0 0 473.646 4.849 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccc(N2CCOCC2)cc1 ZINC000223928052 569927564 /nfs/dbraw/zinc/92/75/64/569927564.db2.gz CUGAIMMZEOTPDQ-UIOOFZCWSA-N 0 0 485.613 4.538 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2C)cc1 ZINC000223928971 569927594 /nfs/dbraw/zinc/92/75/94/569927594.db2.gz LGSBLAGDCQBDLH-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1C ZINC000223929488 569927606 /nfs/dbraw/zinc/92/76/06/569927606.db2.gz XKMLHSKFMNNGRI-RPBOFIJWSA-N 0 0 461.635 4.534 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000223929586 569927627 /nfs/dbraw/zinc/92/76/27/569927627.db2.gz VXALVWVQBACMQQ-UHFFFAOYSA-N 0 0 452.576 4.594 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1C ZINC000223933951 569927711 /nfs/dbraw/zinc/92/77/11/569927711.db2.gz CPAWUUQYTITBOW-SFHVURJKSA-N 0 0 477.468 4.934 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 ZINC000223933822 569927717 /nfs/dbraw/zinc/92/77/17/569927717.db2.gz VTDKCWQIOKCJLD-KRWDZBQOSA-N 0 0 463.441 4.626 40 0 JJABRN Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000223939494 569927816 /nfs/dbraw/zinc/92/78/16/569927816.db2.gz IQZYWTQVDOORNT-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN Cc1cccc(OCCNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1C ZINC000223943646 569927999 /nfs/dbraw/zinc/92/79/99/569927999.db2.gz HSGFSNDBKBRPJY-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223945013 569928008 /nfs/dbraw/zinc/92/80/08/569928008.db2.gz UOXDMPXTWSBNTC-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C)ccc2C)c1 ZINC000223950308 569928147 /nfs/dbraw/zinc/92/81/47/569928147.db2.gz VVYPTQIRIXPZGV-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)c1 ZINC000223949946 569928179 /nfs/dbraw/zinc/92/81/79/569928179.db2.gz XTSMRKPZVBNJLY-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954667 569928288 /nfs/dbraw/zinc/92/82/88/569928288.db2.gz IXFPPCAMTIPZIX-RRPNLBNLSA-N 0 0 481.625 4.886 40 0 JJABRN COc1ccc(CCCNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000223962003 569928562 /nfs/dbraw/zinc/92/85/62/569928562.db2.gz JNTSRTXTZYIBTJ-UHFFFAOYSA-N 0 0 480.630 4.641 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223961783 569928590 /nfs/dbraw/zinc/92/85/90/569928590.db2.gz WBEFBNMCRKRGCM-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223968207 569928839 /nfs/dbraw/zinc/92/88/39/569928839.db2.gz PTDMCVAHIGIAIS-HNNXBMFYSA-N 0 0 469.434 4.789 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223974674 569929072 /nfs/dbraw/zinc/92/90/72/569929072.db2.gz TWAOLEOLQBXFHO-RUZDIDTESA-N 0 0 454.611 4.886 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1Cl ZINC000223975951 569929126 /nfs/dbraw/zinc/92/91/26/569929126.db2.gz ZEZHIKVEDSWZBW-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223977929 569929169 /nfs/dbraw/zinc/92/91/69/569929169.db2.gz MVJVEGXMTKMGPD-QHCPKHFHSA-N 0 0 461.002 4.760 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223978594 569929239 /nfs/dbraw/zinc/92/92/39/569929239.db2.gz JSPFMWRNBJHREE-DEOSSOPVSA-N 0 0 454.611 4.723 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000223990667 569929703 /nfs/dbraw/zinc/92/97/03/569929703.db2.gz UMCLJWOPYRZLSP-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1Cc1cccnc1 ZINC000224003260 569930064 /nfs/dbraw/zinc/93/00/64/569930064.db2.gz NIEFVAMTZTWEKU-IZZNHLLZSA-N 0 0 483.597 4.849 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000224005348 569930190 /nfs/dbraw/zinc/93/01/90/569930190.db2.gz WAAHLUXPIBHMAE-HNNXBMFYSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3cc(C)ccc3C)c2C)cc1 ZINC000224007682 569930271 /nfs/dbraw/zinc/93/02/71/569930271.db2.gz UCYFXXYNKBCETA-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c2ccccc2O1 ZINC000224007714 569930277 /nfs/dbraw/zinc/93/02/77/569930277.db2.gz YTTLDWSSJVPEMD-QHCPKHFHSA-N 0 0 488.625 4.566 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000224011023 569930317 /nfs/dbraw/zinc/93/03/17/569930317.db2.gz GWCBZWYJABFNDH-SANMLTNESA-N 0 0 458.602 4.849 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000224011944 569930370 /nfs/dbraw/zinc/93/03/70/569930370.db2.gz QNAHSTRZTMGFCJ-QDPGVEIFSA-N 0 0 488.628 4.937 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000224011592 569930385 /nfs/dbraw/zinc/93/03/85/569930385.db2.gz CBRJKERIVIGNBP-HNNXBMFYSA-N 0 0 467.368 4.987 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F ZINC000224012773 569930424 /nfs/dbraw/zinc/93/04/24/569930424.db2.gz QYYZCPYRVWHGRB-RLWLMLJZSA-N 0 0 492.591 4.768 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000224013445 569930479 /nfs/dbraw/zinc/93/04/79/569930479.db2.gz CMSRJSJWTBIAIV-UHFFFAOYSA-N 0 0 450.604 4.636 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F ZINC000224016943 569930648 /nfs/dbraw/zinc/93/06/48/569930648.db2.gz RSXVQRDOFZXFLX-KDYSTLNUSA-N 0 0 476.592 4.932 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 ZINC000224019262 569930750 /nfs/dbraw/zinc/93/07/50/569930750.db2.gz VBHFGCJBIXHIDO-QFIPXVFZSA-N 0 0 491.426 4.560 40 0 JJABRN Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)ccc1Br ZINC000224020459 569930818 /nfs/dbraw/zinc/93/08/18/569930818.db2.gz NIQYVUBPHHUTOP-UHFFFAOYSA-N 0 0 454.821 4.841 40 0 JJABRN COc1cc2c(cc1S(=O)(=O)NCc1ccc(OCc3ccc(F)cc3)cc1)CCCC2 ZINC000224024662 569930976 /nfs/dbraw/zinc/93/09/76/569930976.db2.gz NWUQYQQWTZCEQZ-UHFFFAOYSA-N 0 0 455.551 4.771 40 0 JJABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224025000 569930988 /nfs/dbraw/zinc/93/09/88/569930988.db2.gz JKMBUYRBJGTMFC-DQEYMECFSA-N 0 0 470.554 4.787 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000224028211 569931118 /nfs/dbraw/zinc/93/11/18/569931118.db2.gz DFDCMTIHTHGZGZ-UHFFFAOYSA-N 0 0 479.042 4.621 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F ZINC000224028565 569931135 /nfs/dbraw/zinc/93/11/35/569931135.db2.gz URIKWTTYAQWPCF-HSZRJFAPSA-N 0 0 460.615 4.791 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224036693 569931376 /nfs/dbraw/zinc/93/13/76/569931376.db2.gz XFWWPQJZRBWQGO-RPBOFIJWSA-N 0 0 498.564 4.565 40 0 JJABRN COCCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1Cl ZINC000224041024 569931519 /nfs/dbraw/zinc/93/15/19/569931519.db2.gz GGMFALHNHVQOKK-VXKWHMMOSA-N 0 0 456.999 4.882 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224046090 569931657 /nfs/dbraw/zinc/93/16/57/569931657.db2.gz JYRSWGHMHUVDES-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN CCCSc1nnc(NC(=O)[C@H](CC)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1 ZINC000224047508 569931705 /nfs/dbraw/zinc/93/17/05/569931705.db2.gz 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PRISSHHRYMRBPF-HHHXNRCGSA-N 0 0 475.614 4.633 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000408610408 569972434 /nfs/dbraw/zinc/97/24/34/569972434.db2.gz QNWWFMJMXLUNBG-QHCPKHFHSA-N 0 0 464.631 4.945 40 0 JJABRN COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)n(NC(=O)C(=O)Nc3cccc(Cl)c3)c21 ZINC000408610983 569972573 /nfs/dbraw/zinc/97/25/73/569972573.db2.gz VHMONTBIRHJMGB-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000408611109 569972719 /nfs/dbraw/zinc/97/27/19/569972719.db2.gz QJBOKOQQKHOCRI-UHFFFAOYSA-N 0 0 463.043 4.803 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000408611753 569972777 /nfs/dbraw/zinc/97/27/77/569972777.db2.gz RENVXKJKZCTWKV-UHFFFAOYSA-N 0 0 488.584 4.922 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)Cc2cccc(C)c2)cc1 ZINC000408611779 569972826 /nfs/dbraw/zinc/97/28/26/569972826.db2.gz RIPIXDLBXQZIKT-QHCPKHFHSA-N 0 0 464.631 4.632 40 0 JJABRN 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ZINC000225080930 569973710 /nfs/dbraw/zinc/97/37/10/569973710.db2.gz UWLXIXLUFGVNOY-IBGZPJMESA-N 0 0 497.592 4.502 40 0 JJABRN CCn1c2ccc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2sc1=O ZINC000225080712 569973758 /nfs/dbraw/zinc/97/37/58/569973758.db2.gz NFSWXAGUWTZGAE-UHFFFAOYSA-N 0 0 495.626 4.534 40 0 JJABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 ZINC000408614287 569973888 /nfs/dbraw/zinc/97/38/88/569973888.db2.gz AMMLPDMGUPYQGW-JOCHJYFZSA-N 0 0 455.558 4.533 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSC2CCCC2)cc1)c1cccc(Cl)c1 ZINC000225083948 569973944 /nfs/dbraw/zinc/97/39/44/569973944.db2.gz IMSSNEUSJUZZBN-UHFFFAOYSA-N 0 0 467.056 4.712 40 0 JJABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000408614419 569973951 /nfs/dbraw/zinc/97/39/51/569973951.db2.gz CABZOICEVKCRDA-HXUWFJFHSA-N 0 0 475.976 4.878 40 0 JJABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408614563 569974032 /nfs/dbraw/zinc/97/40/32/569974032.db2.gz DSFHYOHNLRNFNY-IBGZPJMESA-N 0 0 461.949 4.570 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1NC(=O)C(C)C ZINC000225087244 569974068 /nfs/dbraw/zinc/97/40/68/569974068.db2.gz OXULRRGDLHZMAS-LJQANCHMSA-N 0 0 462.637 4.892 40 0 JJABRN CCn1c2ccc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2sc1=O ZINC000225088343 569974209 /nfs/dbraw/zinc/97/42/09/569974209.db2.gz IWFHLFRBRPVABV-UHFFFAOYSA-N 0 0 495.626 4.610 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(=O)(=O)c2ccccc2)cc1C ZINC000408615089 569974431 /nfs/dbraw/zinc/97/44/31/569974431.db2.gz LRFHZCOLCDGHEM-UHFFFAOYSA-N 0 0 493.629 4.666 40 0 JJABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000225096156 569974721 /nfs/dbraw/zinc/97/47/21/569974721.db2.gz UOFYCMLVGQAOBG-VWLOTQADSA-N 0 0 478.633 4.955 40 0 JJABRN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408648365 569992779 /nfs/dbraw/zinc/99/27/79/569992779.db2.gz WGDJYVHHWLJWPL-ZDUSSCGKSA-N 0 0 466.173 4.766 40 0 JJABRN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408615959 569975078 /nfs/dbraw/zinc/97/50/78/569975078.db2.gz UVHZMRNNPBIIHC-AWEZNQCLSA-N 0 0 472.328 4.508 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000225099417 569975124 /nfs/dbraw/zinc/97/51/24/569975124.db2.gz AACKJCGBRGIUNG-HSZRJFAPSA-N 0 0 452.595 4.639 40 0 JJABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3C)CC2=O)cc1C ZINC000408615922 569975140 /nfs/dbraw/zinc/97/51/40/569975140.db2.gz UNICYTQQHZOWES-JOCHJYFZSA-N 0 0 455.558 4.533 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408616063 569975201 /nfs/dbraw/zinc/97/52/01/569975201.db2.gz VJVBJAOCUYLAGI-UHFFFAOYSA-N 0 0 498.601 4.633 40 0 JJABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)ccc1NC(=O)C(C)(C)C ZINC000225107867 569975451 /nfs/dbraw/zinc/97/54/51/569975451.db2.gz ZZISEQZKEONZDE-YADHBBJMSA-N 0 0 463.607 4.590 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000408616742 569975692 /nfs/dbraw/zinc/97/56/92/569975692.db2.gz BLYKROQCHFFKRY-UHFFFAOYSA-N 0 0 452.576 4.925 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C)C2)cc1Cl ZINC000408616748 569975861 /nfs/dbraw/zinc/97/58/61/569975861.db2.gz AUQREZMJIBCFCO-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225116963 569975920 /nfs/dbraw/zinc/97/59/20/569975920.db2.gz IFEGZQWFILQRDB-MHZLTWQESA-N 0 0 458.602 4.793 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl ZINC000408617065 569975955 /nfs/dbraw/zinc/97/59/55/569975955.db2.gz CDYZGFHIQPOYKP-GOSISDBHSA-N 0 0 465.015 4.902 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000225443346 569997097 /nfs/dbraw/zinc/99/70/97/569997097.db2.gz UJTGIDHQDHTAKL-CQSZACIVSA-N 0 0 469.832 4.748 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408618237 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490.625 4.626 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccccc3OC)OC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000409205827 570167049 /nfs/dbraw/zinc/16/70/49/570167049.db2.gz FZSPMIIRNIHVQU-XSFVSMFZSA-N 0 0 461.445 4.797 40 0 JJABRN COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000409205711 570167097 /nfs/dbraw/zinc/16/70/97/570167097.db2.gz SNVIZHHURWBLBZ-IWIPYMOSSA-N 0 0 499.567 4.929 40 0 JJABRN COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1O ZINC000261361845 570167321 /nfs/dbraw/zinc/16/73/21/570167321.db2.gz BFRFQCDSGWVMDT-JOCHJYFZSA-O 0 0 479.969 4.769 40 0 JJABRN O=c1[n-]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c(Cl)c1 ZINC000261361800 570167417 /nfs/dbraw/zinc/16/74/17/570167417.db2.gz AZIMILMWHFBHLC-OAQYLSRUSA-O 0 0 467.933 4.900 40 0 JJABRN O=c1[n-]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Cl)c1 ZINC000261361799 570167420 /nfs/dbraw/zinc/16/74/20/570167420.db2.gz AZIMILMWHFBHLC-NRFANRHFSA-O 0 0 467.933 4.900 40 0 JJABRN 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467.934 4.814 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409222641 570175028 /nfs/dbraw/zinc/17/50/28/570175028.db2.gz CPOVXVCLMWCEGN-KGENOOAVSA-N 0 0 461.543 4.833 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)cc1 ZINC000409224947 570175728 /nfs/dbraw/zinc/17/57/28/570175728.db2.gz OGUGLLKRJYOLNW-BUVRLJJBSA-N 0 0 486.549 4.932 40 0 JJABRN CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409228217 570176559 /nfs/dbraw/zinc/17/65/59/570176559.db2.gz WBEMHTLTBZKFHD-IBGZPJMESA-N 0 0 452.576 4.696 40 0 JJABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000299817862 570177715 /nfs/dbraw/zinc/17/77/15/570177715.db2.gz XIGBHUXQOPWGDK-LCHDLGBNSA-N 0 0 492.741 4.683 40 0 biogenic,in-vitro JJABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C2=O)cc1 ZINC000409232772 570178471 /nfs/dbraw/zinc/17/84/71/570178471.db2.gz PRQUNIPPGIMVSJ-HYARGMPZSA-N 0 0 475.932 4.759 40 0 JJABRN CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C1=O ZINC000409233996 570178950 /nfs/dbraw/zinc/17/89/50/570178950.db2.gz VISAKZHUBNHXOF-LZYBPNLTSA-N 0 0 465.731 4.603 40 0 JJABRN CCCN1C(=O)S/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C1=O ZINC000409235532 570179477 /nfs/dbraw/zinc/17/94/77/570179477.db2.gz CAHRNRBNTWEJES-NTEUORMPSA-N 0 0 461.321 4.533 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000328962533 570179533 /nfs/dbraw/zinc/17/95/33/570179533.db2.gz BIOADJOGFXUGBV-QGZVFWFLSA-N 0 0 467.879 5.263 40 0 JJABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409235420 570179534 /nfs/dbraw/zinc/17/95/34/570179534.db2.gz PQEMLVUWFDOGFN-XSFVSMFZSA-N 0 0 479.577 4.527 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccncc2)n1 ZINC000328965675 570179691 /nfs/dbraw/zinc/17/96/91/570179691.db2.gz CFBGUMCHKCFVTB-GOSISDBHSA-N 0 0 496.331 5.492 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409236741 570180170 /nfs/dbraw/zinc/18/01/70/570180170.db2.gz GZDYJJAGRZUCKO-WOJGMQOQSA-N 0 0 477.330 4.869 40 0 JJABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC ZINC000409237668 570180541 /nfs/dbraw/zinc/18/05/41/570180541.db2.gz BBABFALHUBFBTF-HXJASHHUSA-N 0 0 458.511 4.687 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328982752 570180555 /nfs/dbraw/zinc/18/05/55/570180555.db2.gz HBPSFMIBVGGFSU-LLVKDONJSA-N 0 0 473.282 4.729 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O ZINC000409238398 570180742 /nfs/dbraw/zinc/18/07/42/570180742.db2.gz ZJGZOIKSLMHPIS-XQNSMLJCSA-N 0 0 457.555 4.932 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 ZINC000409238246 570180796 /nfs/dbraw/zinc/18/07/96/570180796.db2.gz CYZRVGCQGLLFDG-YBFXNURJSA-N 0 0 460.939 4.811 40 0 JJABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2)cc1 ZINC000409239431 570181242 /nfs/dbraw/zinc/18/12/42/570181242.db2.gz NIEMHSXRSIZFGH-HMAPJEAMSA-N 0 0 461.518 4.817 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329012583 570181471 /nfs/dbraw/zinc/18/14/71/570181471.db2.gz MKRNYCKWHMRXOD-GOSISDBHSA-N 0 0 468.426 5.493 40 0 JJABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](C)CO)n1 ZINC000329011455 570181524 /nfs/dbraw/zinc/18/15/24/570181524.db2.gz MERNIFWRYXXODQ-CYBMUJFWSA-N 0 0 486.416 4.750 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc(C)c3C)C2=O)cc1 ZINC000409240044 570181569 /nfs/dbraw/zinc/18/15/69/570181569.db2.gz ODASORDOBDWMDY-HYARGMPZSA-N 0 0 461.543 4.778 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccn2)n1 ZINC000329014390 570181633 /nfs/dbraw/zinc/18/16/33/570181633.db2.gz MVVAWTJKMWJAEH-GOSISDBHSA-N 0 0 496.331 5.492 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccn2)n1 ZINC000329014391 570181648 /nfs/dbraw/zinc/18/16/48/570181648.db2.gz MVVAWTJKMWJAEH-SFHVURJKSA-N 0 0 496.331 5.492 40 0 JJABRN COc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](CO)C(C)C)n2)cc(OC)c1 ZINC000329014878 570181744 /nfs/dbraw/zinc/18/17/44/570181744.db2.gz MZHQMMWDBMNMPP-OAQYLSRUSA-N 0 0 492.498 5.232 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)c(Cl)c1 ZINC000409241036 570181907 /nfs/dbraw/zinc/18/19/07/570181907.db2.gz WMSZHNOMPAVBBI-UHFFFAOYSA-N 0 0 460.958 4.571 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2cccc(F)c2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329019789 570181928 /nfs/dbraw/zinc/18/19/28/570181928.db2.gz NXWCRBFDPFMEJD-GOSISDBHSA-N 0 0 468.426 5.493 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl ZINC000409241942 570182399 /nfs/dbraw/zinc/18/23/99/570182399.db2.gz PJUWQTLVLUMLFQ-UHFFFAOYSA-N 0 0 491.440 4.763 40 0 JJABRN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409242377 570182479 /nfs/dbraw/zinc/18/24/79/570182479.db2.gz RLDNWVFGJYEUJG-BUVRLJJBSA-N 0 0 482.515 4.669 40 0 JJABRN Cc1ccc(-c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c(Br)c1 ZINC000409242708 570182548 /nfs/dbraw/zinc/18/25/48/570182548.db2.gz SMZOIJQSZMZYHP-NDENLUEZSA-N 0 0 494.345 4.857 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329045938 570182915 /nfs/dbraw/zinc/18/29/15/570182915.db2.gz TXTJRRAZECCJDB-LLVKDONJSA-N 0 0 473.282 4.729 40 0 JJABRN CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329051943 570183172 /nfs/dbraw/zinc/18/31/72/570183172.db2.gz VABRNUWGZFANBM-UHFFFAOYSA-N 0 0 458.362 4.960 40 0 JJABRN CC[C@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329058971 570183347 /nfs/dbraw/zinc/18/33/47/570183347.db2.gz WEDZJGIEIHGRFM-ZDUSSCGKSA-N 0 0 452.427 4.987 40 0 JJABRN CC[C@H](C)Nc1nc(Nc2ccc(OC)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329065057 570183531 /nfs/dbraw/zinc/18/35/31/570183531.db2.gz XNYUIHFLOHCFAZ-ZDUSSCGKSA-N 0 0 450.436 4.988 40 0 JJABRN CC[C@H](C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2cccnc2)n1 ZINC000329070574 570183904 /nfs/dbraw/zinc/18/39/04/570183904.db2.gz ZHSVHFOOBGAGMY-LBPRGKRZSA-N 0 0 479.753 4.594 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000409252522 570186165 /nfs/dbraw/zinc/18/61/65/570186165.db2.gz SJRFUQRTSYZCKI-UHFFFAOYSA-N 0 0 462.493 4.755 40 0 JJABRN COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(=O)c1ccccc1I ZINC000409255282 570186746 /nfs/dbraw/zinc/18/67/46/570186746.db2.gz HQHPZQIKBRQVEY-UHFFFAOYSA-N 0 0 498.276 4.835 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408530259 570187586 /nfs/dbraw/zinc/18/75/86/570187586.db2.gz JTBYWTJCLCVHOC-NSHDSACASA-N 0 0 465.761 4.825 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)c1 ZINC000408533943 570189178 /nfs/dbraw/zinc/18/91/78/570189178.db2.gz RMRZDJVREWSEPJ-UHFFFAOYSA-N 0 0 489.018 4.831 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)cc1Cl ZINC000409275193 570189656 /nfs/dbraw/zinc/18/96/56/570189656.db2.gz SLJCAXNNJFDNPA-FRKPEAEDSA-N 0 0 499.745 4.925 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000409274428 570189710 /nfs/dbraw/zinc/18/97/10/570189710.db2.gz WUODYISUERVMGT-UCQKPKSFSA-N 0 0 498.576 4.708 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2Cl)cc1C ZINC000408536126 570190343 /nfs/dbraw/zinc/19/03/43/570190343.db2.gz YFIOBIOMQFKQNW-UHFFFAOYSA-N 0 0 472.994 4.529 40 0 JJABRN CC(C)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000408536451 570190462 /nfs/dbraw/zinc/19/04/62/570190462.db2.gz RLEVNAQJDHAHSJ-UHFFFAOYSA-N 0 0 486.041 4.607 40 0 JJABRN CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C ZINC000408541792 570191710 /nfs/dbraw/zinc/19/17/10/570191710.db2.gz FVNJWBSHROGJHI-UHFFFAOYSA-N 0 0 461.385 4.804 40 0 JJABRN Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc(Br)ccc1O ZINC000408544848 570192716 /nfs/dbraw/zinc/19/27/16/570192716.db2.gz VOSRIZZJFAFGIJ-UHFFFAOYSA-N 0 0 488.194 4.988 40 0 JJABRN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc(Br)ccc1O ZINC000408545466 570192817 /nfs/dbraw/zinc/19/28/17/570192817.db2.gz ZAAWBXGYJSMEKJ-UHFFFAOYSA-N 0 0 488.194 4.988 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(C(F)F)cc1 ZINC000408545569 570192906 /nfs/dbraw/zinc/19/29/06/570192906.db2.gz UWKDIFQOCIHEJO-UHFFFAOYSA-N 0 0 455.284 4.608 40 0 JJABRN Cc1cccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408546583 570193318 /nfs/dbraw/zinc/19/33/18/570193318.db2.gz FMFJAMBXDNTSET-UHFFFAOYSA-N 0 0 489.062 4.893 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 ZINC000408546598 570193422 /nfs/dbraw/zinc/19/34/22/570193422.db2.gz FOCGLNZINZGODG-AREMUKBSSA-N 0 0 496.032 4.978 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408547749 570193899 /nfs/dbraw/zinc/19/38/99/570193899.db2.gz MGRDQNYMGBISQN-UHFFFAOYSA-N 0 0 455.407 4.756 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000408550712 570195024 /nfs/dbraw/zinc/19/50/24/570195024.db2.gz GQONTGDMUMZJEO-UHFFFAOYSA-N 0 0 490.984 4.668 40 0 JJABRN COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552971 570195630 /nfs/dbraw/zinc/19/56/30/570195630.db2.gz SZUHBFSSYICLPW-UHFFFAOYSA-N 0 0 465.358 4.733 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3Cl)C2)cc1C ZINC000408553961 570196095 /nfs/dbraw/zinc/19/60/95/570196095.db2.gz AIDURDFQDHBJCR-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 ZINC000408554500 570196324 /nfs/dbraw/zinc/19/63/24/570196324.db2.gz CZZMXFOUUAZSRW-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1C ZINC000408554629 570196460 /nfs/dbraw/zinc/19/64/60/570196460.db2.gz CWRXSLNCAVGFDP-FQEVSTJZSA-N 0 0 458.624 4.865 40 0 JJABRN Cc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCCCCC1 ZINC000408555703 570196983 /nfs/dbraw/zinc/19/69/83/570196983.db2.gz HIHHGGSMAIHXJL-UHFFFAOYSA-N 0 0 451.386 4.575 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)c(C)c1 ZINC000408555936 570197050 /nfs/dbraw/zinc/19/70/50/570197050.db2.gz XUQWIFVOIAIIBK-MRXNPFEDSA-N 0 0 455.407 4.958 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000408555997 570197176 /nfs/dbraw/zinc/19/71/76/570197176.db2.gz BRDDHICPLPZSRW-UHFFFAOYSA-N 0 0 488.565 4.975 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408556094 570197202 /nfs/dbraw/zinc/19/72/02/570197202.db2.gz ZLGWPQSASWDFCY-UHFFFAOYSA-N 0 0 474.966 4.729 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000408556239 570197283 /nfs/dbraw/zinc/19/72/83/570197283.db2.gz HEZZZJFICJLQEH-UHFFFAOYSA-N 0 0 465.015 4.703 40 0 JJABRN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)c(C)c3)CC2)cc1 ZINC000408556655 570197693 /nfs/dbraw/zinc/19/76/93/570197693.db2.gz IXHUJQZCWOTJOV-UHFFFAOYSA-N 0 0 458.624 4.776 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(C(F)(F)F)cc1 ZINC000408557038 570197901 /nfs/dbraw/zinc/19/79/01/570197901.db2.gz LQWDDWHFCAGZAX-UHFFFAOYSA-N 0 0 476.904 4.551 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408557386 570198144 /nfs/dbraw/zinc/19/81/44/570198144.db2.gz MKZOBDSAEAZJLS-SFHVURJKSA-N 0 0 458.967 4.541 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1C ZINC000408557505 570198159 /nfs/dbraw/zinc/19/81/59/570198159.db2.gz NDESFYTYTSCGJZ-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000408557345 570198204 /nfs/dbraw/zinc/19/82/04/570198204.db2.gz MWYAXSCXXJNJJM-IBGZPJMESA-N 0 0 487.021 4.732 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408557803 570198496 /nfs/dbraw/zinc/19/84/96/570198496.db2.gz OCYLIJOAQNIVFR-SFHVURJKSA-N 0 0 462.493 4.898 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408557844 570198651 /nfs/dbraw/zinc/19/86/51/570198651.db2.gz PANCGBUSHHAGQW-UHFFFAOYSA-N 0 0 488.993 4.890 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408558041 570198758 /nfs/dbraw/zinc/19/87/58/570198758.db2.gz HZJYCWLGHZUDJW-HXUWFJFHSA-N 0 0 482.911 4.887 40 0 JJABRN CCCCCNC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409309853 570198967 /nfs/dbraw/zinc/19/89/67/570198967.db2.gz NHBGMQVGLMFEFS-UHFFFAOYSA-N 0 0 457.423 4.799 40 0 JJABRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OCC(N)=O ZINC000408559007 570199388 /nfs/dbraw/zinc/19/93/88/570199388.db2.gz UAOAJKZZOMMDOL-UHFFFAOYSA-N 0 0 492.595 4.740 40 0 JJABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408559096 570199450 /nfs/dbraw/zinc/19/94/50/570199450.db2.gz LCGAKQDUILUWPI-GOSISDBHSA-N 0 0 454.548 4.573 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000408559125 570199554 /nfs/dbraw/zinc/19/95/54/570199554.db2.gz VOVJBKLCBSKAIO-SANMLTNESA-N 0 0 476.642 4.722 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)cc2)cc1Cl ZINC000408559543 570199902 /nfs/dbraw/zinc/19/99/02/570199902.db2.gz MJPOBBSRYDDZKQ-UHFFFAOYSA-N 0 0 493.006 4.889 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NCc1ccccc1Cl ZINC000408559635 570199924 /nfs/dbraw/zinc/19/99/24/570199924.db2.gz ALILLSKMUKCHBT-UHFFFAOYSA-N 0 0 483.348 4.629 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000409314671 570200018 /nfs/dbraw/zinc/20/00/18/570200018.db2.gz GTNPFMWKVWXWPI-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409315992 570200262 /nfs/dbraw/zinc/20/02/62/570200262.db2.gz WUBHZLBMPPIYGK-CQSZACIVSA-N 0 0 461.386 4.628 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408560369 570200394 /nfs/dbraw/zinc/20/03/94/570200394.db2.gz YYFORLIOAOCPRA-MRXNPFEDSA-N 0 0 474.966 4.934 40 0 JJABRN CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000408560459 570200450 /nfs/dbraw/zinc/20/04/50/570200450.db2.gz ITGBKXUKDIBTSI-UHFFFAOYSA-N 0 0 490.629 4.510 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000409317946 570200568 /nfs/dbraw/zinc/20/05/68/570200568.db2.gz SUUPILOMCZKRKL-MRXNPFEDSA-N 0 0 474.966 4.934 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408560754 570200590 /nfs/dbraw/zinc/20/05/90/570200590.db2.gz PVPCPEJYLXKXKB-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000408561399 570201045 /nfs/dbraw/zinc/20/10/45/570201045.db2.gz RZCXWNDHTUDXJM-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408561459 570201046 /nfs/dbraw/zinc/20/10/46/570201046.db2.gz SRNTWVVDAZVWCJ-FQEVSTJZSA-N 0 0 482.911 4.887 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000408561601 570201142 /nfs/dbraw/zinc/20/11/42/570201142.db2.gz UAEMNNCHPATGAM-UHFFFAOYSA-N 0 0 478.614 4.981 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000409322727 570201441 /nfs/dbraw/zinc/20/14/41/570201441.db2.gz LOSXOXAHEBWCNT-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)cc1 ZINC000408562048 570201533 /nfs/dbraw/zinc/20/15/33/570201533.db2.gz XGXUNQMIZABOCA-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408562279 570201587 /nfs/dbraw/zinc/20/15/87/570201587.db2.gz YQQOZOMPNOVMIQ-UHFFFAOYSA-N 0 0 494.491 4.841 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NCCC1=CCCCC1 ZINC000408562147 570201651 /nfs/dbraw/zinc/20/16/51/570201651.db2.gz NHEHKKLGCZDWBU-UHFFFAOYSA-N 0 0 489.037 4.867 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)c(C)c1 ZINC000408562605 570201857 /nfs/dbraw/zinc/20/18/57/570201857.db2.gz QWEYNGGKOLEJSY-UHFFFAOYSA-N 0 0 462.930 4.914 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC ZINC000409325760 570202067 /nfs/dbraw/zinc/20/20/67/570202067.db2.gz ASGFLIKCPCTGIE-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000408563069 570202074 /nfs/dbraw/zinc/20/20/74/570202074.db2.gz TYLOPVWQAFNCSC-KRWDZBQOSA-N 0 0 465.015 4.820 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1OC ZINC000408563054 570202090 /nfs/dbraw/zinc/20/20/90/570202090.db2.gz IBZYRGOWBYNPOF-UHFFFAOYSA-N 0 0 483.362 4.691 40 0 JJABRN COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000408564329 570202644 /nfs/dbraw/zinc/20/26/44/570202644.db2.gz WCCZIYSPOFJVGT-UHFFFAOYSA-N 0 0 494.613 4.557 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000408564442 570202698 /nfs/dbraw/zinc/20/26/98/570202698.db2.gz YFQUFCAOCQIGMU-UHFFFAOYSA-N 0 0 491.327 4.711 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccccc1Br ZINC000409328937 570203242 /nfs/dbraw/zinc/20/32/42/570203242.db2.gz ATRIJFKPZAQQJP-OQLLNIDSSA-N 0 0 451.729 4.778 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccccc1Br ZINC000409330362 570203931 /nfs/dbraw/zinc/20/39/31/570203931.db2.gz KXZLXSAFZVQRIQ-OQLLNIDSSA-N 0 0 496.180 4.887 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1Br ZINC000408572502 570204979 /nfs/dbraw/zinc/20/49/79/570204979.db2.gz IRUGNUXTMNTYHN-UHFFFAOYSA-N 0 0 458.341 4.575 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)cc1 ZINC000408572852 570205068 /nfs/dbraw/zinc/20/50/68/570205068.db2.gz AFFDUVNOVWHTQU-UHFFFAOYSA-N 0 0 488.975 4.859 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)SCc2ccccc2)cc1OC ZINC000408574761 570205500 /nfs/dbraw/zinc/20/55/00/570205500.db2.gz KYEYWAXEWIEIOJ-IBGZPJMESA-N 0 0 478.614 4.937 40 0 JJABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408574873 570205545 /nfs/dbraw/zinc/20/55/45/570205545.db2.gz FGAAOPDVMBHUQD-HFCFXMSPSA-N 0 0 497.664 4.932 40 0 JJABRN CCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408575748 570205796 /nfs/dbraw/zinc/20/57/96/570205796.db2.gz FRQDSJBTHDFYNS-UHFFFAOYSA-N 0 0 481.767 4.840 40 0 JJABRN CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2C)cc2cc(Cl)ccc21 ZINC000408577046 570206059 /nfs/dbraw/zinc/20/60/59/570206059.db2.gz IDDWQNLUGLOQEG-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccccc2)cc1OC ZINC000408577104 570206089 /nfs/dbraw/zinc/20/60/89/570206089.db2.gz WLGWXBZZZNQXQI-UHFFFAOYSA-N 0 0 464.587 4.548 40 0 JJABRN Cc1nc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)ccc1I ZINC000408577091 570206103 /nfs/dbraw/zinc/20/61/03/570206103.db2.gz ZYWKCKMRVNJFPT-XYOKQWHBSA-N 0 0 489.338 4.781 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000408577482 570206124 /nfs/dbraw/zinc/20/61/24/570206124.db2.gz IJECDJINHVTBLM-IBGZPJMESA-N 0 0 491.975 4.660 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1 ZINC000408578727 570206356 /nfs/dbraw/zinc/20/63/56/570206356.db2.gz LSVZQTMAXBHCMY-DEOSSOPVSA-N 0 0 499.611 4.553 40 0 JJABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccc(F)cc3)CC2=O)cc1 ZINC000408579156 570206463 /nfs/dbraw/zinc/20/64/63/570206463.db2.gz NFEXXOLPXBBRII-FQEVSTJZSA-N 0 0 489.547 4.536 40 0 JJABRN COc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 ZINC000408579467 570206486 /nfs/dbraw/zinc/20/64/86/570206486.db2.gz NSAGBHQADUPQEI-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)Cc2ccccc2)cc1Cl ZINC000408581815 570206855 /nfs/dbraw/zinc/20/68/55/570206855.db2.gz AMAVDBGNSXJOFC-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408582125 570206897 /nfs/dbraw/zinc/20/68/97/570206897.db2.gz VNLBLIQJLDIMTE-SFHVURJKSA-N 0 0 496.394 4.958 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408582188 570206919 /nfs/dbraw/zinc/20/69/19/570206919.db2.gz VUXXLSWPFRSNNV-LJQANCHMSA-N 0 0 491.975 4.660 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC1CCCCCCC1 ZINC000408582237 570206931 /nfs/dbraw/zinc/20/69/31/570206931.db2.gz BYPQUFHJQYDWQX-UHFFFAOYSA-N 0 0 457.036 4.559 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccccn2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408582417 570206978 /nfs/dbraw/zinc/20/69/78/570206978.db2.gz NZYCXNVUQQHDCM-UHFFFAOYSA-N 0 0 490.614 4.790 40 0 JJABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2)cc1 ZINC000408583129 570207221 /nfs/dbraw/zinc/20/72/21/570207221.db2.gz YZFCJUSATRSWQU-DEOSSOPVSA-N 0 0 499.611 4.553 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408584558 570207654 /nfs/dbraw/zinc/20/76/54/570207654.db2.gz RIUKCLWBLWEZRL-FUHWJXTLSA-N 0 0 469.434 4.532 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000408585255 570207904 /nfs/dbraw/zinc/20/79/04/570207904.db2.gz YFBPVCJNHMGKIJ-UHFFFAOYSA-N 0 0 492.641 4.891 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl ZINC000408585273 570207931 /nfs/dbraw/zinc/20/79/31/570207931.db2.gz YJFMBULEWIBMHF-IBGZPJMESA-N 0 0 499.032 4.608 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000408585539 570207992 /nfs/dbraw/zinc/20/79/92/570207992.db2.gz ZIERJFIHWFKJIV-JOCHJYFZSA-N 0 0 487.419 4.594 40 0 JJABRN C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CCCCC1 ZINC000408586132 570208064 /nfs/dbraw/zinc/20/80/64/570208064.db2.gz AJHHLMIBIRNWLW-OAHLLOKOSA-N 0 0 485.433 4.688 40 0 JJABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)cc2)c1 ZINC000408586867 570208246 /nfs/dbraw/zinc/20/82/46/570208246.db2.gz COEGDFXEAZNXKM-UHFFFAOYSA-N 0 0 462.527 4.667 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)Nc1cccc(Br)c1 ZINC000408586888 570208255 /nfs/dbraw/zinc/20/82/55/570208255.db2.gz CTXNERDWVYLXDF-UHFFFAOYSA-N 0 0 495.782 4.921 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408587602 570208396 /nfs/dbraw/zinc/20/83/96/570208396.db2.gz FETPECGKSHEHLJ-UHFFFAOYSA-N 0 0 490.931 4.859 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408587974 570208440 /nfs/dbraw/zinc/20/84/40/570208440.db2.gz VJCJXDHXZWLPKT-QGZVFWFLSA-N 0 0 472.994 4.901 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(Cl)c2)cc1 ZINC000408587907 570208461 /nfs/dbraw/zinc/20/84/61/570208461.db2.gz CPRUACMDLNCOHB-UHFFFAOYSA-N 0 0 466.893 4.745 40 0 JJABRN CCOC(=O)Nc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC ZINC000408587957 570208474 /nfs/dbraw/zinc/20/84/74/570208474.db2.gz VEUYUESHYMSLAV-UHFFFAOYSA-N 0 0 454.548 4.722 40 0 JJABRN C[C@@H](Oc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)C(=O)NC1CCCCC1 ZINC000408588570 570208588 /nfs/dbraw/zinc/20/85/88/570208588.db2.gz GTVFCZUSFQITOG-GOSISDBHSA-N 0 0 452.576 4.857 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)Nc1c(F)cccc1F ZINC000408589511 570208850 /nfs/dbraw/zinc/20/88/50/570208850.db2.gz IDCSKPZUUNGTLJ-UHFFFAOYSA-N 0 0 492.931 4.777 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000408590961 570209161 /nfs/dbraw/zinc/20/91/61/570209161.db2.gz IEGRDCUIDBJVQG-AWEZNQCLSA-N 0 0 490.931 4.715 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NC1CCCC1 ZINC000408592017 570209349 /nfs/dbraw/zinc/20/93/49/570209349.db2.gz NELZQVVCXZQHEF-UHFFFAOYSA-N 0 0 476.904 4.597 40 0 JJABRN C[C@H](Oc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000408592730 570209507 /nfs/dbraw/zinc/20/95/07/570209507.db2.gz OFNVBZLIBNZSRO-NRFANRHFSA-N 0 0 492.641 4.971 40 0 JJABRN C[C@H](CC[C@H](C)C(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000085341058 290711533 /nfs/dbraw/zinc/71/15/33/290711533.db2.gz DDUGSCXKUOFBQJ-DCXYMGLNSA-N 0 0 450.704 4.915 40 0 biogenic,in-vitro JJABRN Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000875096 193938818 /nfs/dbraw/zinc/93/88/18/193938818.db2.gz RXADYHVCFRJGCE-UHFFFAOYSA-N 0 0 485.609 4.685 40 0 JJABRN COc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000878454 193940855 /nfs/dbraw/zinc/94/08/55/193940855.db2.gz VFJJOXUCHYMIQD-UHFFFAOYSA-N 0 0 458.587 4.948 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000000879813 193942576 /nfs/dbraw/zinc/94/25/76/193942576.db2.gz BQWKIGREPDFNMI-UHFFFAOYSA-N 0 0 475.589 4.795 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3Cl)cc2c1 ZINC000000883321 193944685 /nfs/dbraw/zinc/94/46/85/193944685.db2.gz JXLTXXFKWMUIIF-UHFFFAOYSA-N 0 0 452.963 4.881 40 0 JJABRN COc1cc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2cc1OC ZINC000000895215 193953911 /nfs/dbraw/zinc/95/39/11/193953911.db2.gz IERMJSGAVZMNEC-UHFFFAOYSA-N 0 0 474.586 4.648 40 0 JJABRN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NCc1ccc(C(C)=O)cc1 ZINC000000898535 193955112 /nfs/dbraw/zinc/95/51/12/193955112.db2.gz YBQRBHLIRJIUNH-MRXNPFEDSA-N 0 0 472.998 4.530 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000000905852 193959493 /nfs/dbraw/zinc/95/94/93/193959493.db2.gz SRDYZRIXYBYSNJ-NDEPHWFRSA-N 0 0 481.600 4.650 40 0 JJABRN Cc1ccc(C(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)cc1 ZINC000000906989 193960515 /nfs/dbraw/zinc/96/05/15/193960515.db2.gz TXJAFFUTFLHBIP-UHFFFAOYSA-N 0 0 465.604 4.902 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2c1C ZINC000000914289 193964238 /nfs/dbraw/zinc/96/42/38/193964238.db2.gz IVWQOXZQJFFKLX-UHFFFAOYSA-N 0 0 456.951 4.782 40 0 JJABRN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000000919789 193970081 /nfs/dbraw/zinc/97/00/81/193970081.db2.gz DBKQGYFFAZMSJY-LPHOPBHVSA-N 0 0 474.418 4.773 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)cc2c1 ZINC000000923200 193974156 /nfs/dbraw/zinc/97/41/56/193974156.db2.gz PFTOPIAFURDKIY-UHFFFAOYSA-N 0 0 464.562 4.929 40 0 JJABRN CCC(C)(C)n1nnnc1CN(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926489 193978373 /nfs/dbraw/zinc/97/83/73/193978373.db2.gz DOANMMTWPAITMK-UHFFFAOYSA-N 0 0 450.612 4.540 40 0 JJABRN Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)Cc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000927140 193979029 /nfs/dbraw/zinc/97/90/29/193979029.db2.gz YRNAGPXQIDDGKC-UHFFFAOYSA-N 0 0 474.584 4.978 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2-c2ccccc2)c(N)c1 ZINC000000930583 193982387 /nfs/dbraw/zinc/98/23/87/193982387.db2.gz JBKPHCMPUKOXHH-UHFFFAOYSA-N 0 0 488.617 4.818 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3c4nsnc4ccc3C)cc2c1 ZINC000000925003 193976394 /nfs/dbraw/zinc/97/63/94/193976394.db2.gz AGUZDQJUHXHSQO-UHFFFAOYSA-N 0 0 490.610 4.541 40 0 JJABRN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001087574 194021436 /nfs/dbraw/zinc/02/14/36/194021436.db2.gz RZXVEGBGAQISAQ-JOCHJYFZSA-N 0 0 450.926 4.726 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)[C@H]1COc2ccccc2O1 ZINC000001105110 194025370 /nfs/dbraw/zinc/02/53/70/194025370.db2.gz LDXXPGIIAGWYBS-LJQANCHMSA-N 0 0 479.341 4.573 40 0 JJABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2)cc1 ZINC000001223777 194075583 /nfs/dbraw/zinc/07/55/83/194075583.db2.gz RLLXQPQCFKQMSQ-UHFFFAOYSA-N 0 0 458.543 4.882 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 ZINC000001223972 194075632 /nfs/dbraw/zinc/07/56/32/194075632.db2.gz QBELETFEOFZLQP-UHFFFAOYSA-N 0 0 481.599 4.668 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000001224598 194075900 /nfs/dbraw/zinc/07/59/00/194075900.db2.gz GGXCRRYITXQCQS-SFHVURJKSA-N 0 0 458.587 4.570 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCc4ccccc43)cc2c1 ZINC000001224747 194076181 /nfs/dbraw/zinc/07/61/81/194076181.db2.gz MOJUARWFUQNZRW-RUZDIDTESA-N 0 0 470.577 4.571 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000001222429 194074712 /nfs/dbraw/zinc/07/47/12/194074712.db2.gz NDGCZMHFJJGNSG-UHFFFAOYSA-N 0 0 462.571 4.545 40 0 JJABRN O=C(CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1)NCc1ccccc1 ZINC000001222347 194074783 /nfs/dbraw/zinc/07/47/83/194074783.db2.gz LSFHPLNWKTYKNM-UHFFFAOYSA-N 0 0 481.581 4.803 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccc(C)c(N)c1 ZINC000001223014 194074915 /nfs/dbraw/zinc/07/49/15/194074915.db2.gz JTLVSSITWKRHGZ-UHFFFAOYSA-N 0 0 457.939 4.892 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc3n(CC(=O)Nc4ccccc4C)c4ccccc4n23)cc1C ZINC000001325676 194086802 /nfs/dbraw/zinc/08/68/02/194086802.db2.gz GTNUTPXUXNZRLL-UHFFFAOYSA-N 0 0 498.612 4.979 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc3n(CC(=O)N4[C@H](C)CCC[C@@H]4C)c4ccccc4n23)cc1 ZINC000001325886 194086984 /nfs/dbraw/zinc/08/69/84/194086984.db2.gz KMTCYHSEOKPPDP-KDURUIRLSA-N 0 0 490.633 4.513 40 0 JJABRN COc1ccc(CCNC(=O)CSc2nc(C)nc3sc4c(c32)CC[C@H](C)C4)cc1OC ZINC000001326257 194087040 /nfs/dbraw/zinc/08/70/40/194087040.db2.gz IVPFVTWRVBHGGT-AWEZNQCLSA-N 0 0 471.648 4.593 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000001327409 194087844 /nfs/dbraw/zinc/08/78/44/194087844.db2.gz SIQGNEJEEGDFTL-UHFFFAOYSA-N 0 0 461.493 4.919 40 0 JJABRN Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001335339 194094103 /nfs/dbraw/zinc/09/41/03/194094103.db2.gz ZTOAGXLUBHYKIW-UHFFFAOYSA-N 0 0 464.562 4.984 40 0 JJABRN COc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000001335749 194094419 /nfs/dbraw/zinc/09/44/19/194094419.db2.gz GZIABVIWAVJGIH-UHFFFAOYSA-N 0 0 461.493 4.919 40 0 JJABRN COc1cc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC ZINC000001335692 194094493 /nfs/dbraw/zinc/09/44/93/194094493.db2.gz MIXDCLHNBHQBMQ-UHFFFAOYSA-N 0 0 451.454 4.512 40 0 JJABRN O=C(Nc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335894 194094741 /nfs/dbraw/zinc/09/47/41/194094741.db2.gz XQZMPNVZBJXZRI-UHFFFAOYSA-N 0 0 465.506 4.734 40 0 JJABRN O=C(Nc1ccc(F)cc1)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335928 194094914 /nfs/dbraw/zinc/09/49/14/194094914.db2.gz FYSYRXGGWLFDLQ-UHFFFAOYSA-N 0 0 473.504 4.715 40 0 JJABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 ZINC000001336141 194095216 /nfs/dbraw/zinc/09/52/16/194095216.db2.gz URGDDNXSEDPMKS-RUZDIDTESA-N 0 0 463.603 4.918 40 0 JJABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc2c(c1)OCO2 ZINC000001339118 194095843 /nfs/dbraw/zinc/09/58/43/194095843.db2.gz HTZROHKWDJLBII-RUZDIDTESA-N 0 0 475.520 4.786 40 0 JJABRN O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)Nc1ccccc1F ZINC000001339539 194096467 /nfs/dbraw/zinc/09/64/67/194096467.db2.gz IPLBICFXHFFDOK-UHFFFAOYSA-N 0 0 453.568 4.965 40 0 JJABRN C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NCc5ccccc5)nnc4c23)C1 ZINC000001339621 194096854 /nfs/dbraw/zinc/09/68/54/194096854.db2.gz ZSPBFGHMEWIVRR-AWEZNQCLSA-N 0 0 463.632 4.750 40 0 JJABRN Cc1nn(-c2ccccc2)c2sc(C(=O)N(CC(=O)NC3CCCC3)C3CCCC3)cc12 ZINC000001339717 194097005 /nfs/dbraw/zinc/09/70/05/194097005.db2.gz RRAMDBNUFPZJQZ-UHFFFAOYSA-N 0 0 450.608 4.839 40 0 JJABRN COc1cccc(C(=O)N(Cc2cccs2)Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000001339799 194097245 /nfs/dbraw/zinc/09/72/45/194097245.db2.gz JHDKSSFGWWQOBY-UHFFFAOYSA-N 0 0 465.600 4.776 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000001353902 194100141 /nfs/dbraw/zinc/10/01/41/194100141.db2.gz FNFHYQFQAQFORY-RUZDIDTESA-N 0 0 478.570 4.880 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)c1 ZINC000001340066 194097493 /nfs/dbraw/zinc/09/74/93/194097493.db2.gz CIEWPVOKMGLCMV-UHFFFAOYSA-N 0 0 464.620 4.898 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1 ZINC000001340073 194097536 /nfs/dbraw/zinc/09/75/36/194097536.db2.gz FGPZAMBEIICRPJ-UHFFFAOYSA-N 0 0 480.619 4.680 40 0 JJABRN CCc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000001340668 194097925 /nfs/dbraw/zinc/09/79/25/194097925.db2.gz UZNDKYFTGAGXHC-RTBURBONSA-N 0 0 464.635 4.834 40 0 JJABRN COc1cccc(-c2cc3nc4c(c(N5CCN(c6ccc(F)cc6)CC5)n3n2)CCCC4)c1 ZINC000001341732 194098483 /nfs/dbraw/zinc/09/84/83/194098483.db2.gz ZVWQPZKKBBUNNI-UHFFFAOYSA-N 0 0 457.553 4.749 40 0 JJABRN COc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000001346848 194098978 /nfs/dbraw/zinc/09/89/78/194098978.db2.gz ACHCCERPFZEXQJ-UHFFFAOYSA-N 0 0 486.568 4.747 40 0 JJABRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4cc(Cl)ccc4Cl)CC3)n2)c1 ZINC000001349867 194099373 /nfs/dbraw/zinc/09/93/73/194099373.db2.gz BAKDPGIPPMNOJS-UHFFFAOYSA-N 0 0 477.417 4.886 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000001353899 194100255 /nfs/dbraw/zinc/10/02/55/194100255.db2.gz FNFHYQFQAQFORY-VWLOTQADSA-N 0 0 478.570 4.880 40 0 JJABRN COc1cccc([C@@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2ccccc2)c1 ZINC000001333050 194091240 /nfs/dbraw/zinc/09/12/40/194091240.db2.gz JYJHIUBLQSNXGX-DEOSSOPVSA-N 0 0 456.477 4.651 40 0 JJABRN COc1ccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)cc1OC ZINC000001352920 194099899 /nfs/dbraw/zinc/09/98/99/194099899.db2.gz BJGFIKXFTNZBEY-UHFFFAOYSA-N 0 0 477.605 4.941 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)Cc2cccs2)o1 ZINC000001333607 194092158 /nfs/dbraw/zinc/09/21/58/194092158.db2.gz NYRXNUFHNGUJAO-RUZDIDTESA-N 0 0 480.586 4.750 40 0 JJABRN CCC(=O)N1CCc2cc(-c3nc(NC(=O)c4c(OC)cccc4OC)sc3C)ccc21 ZINC000001366639 194104267 /nfs/dbraw/zinc/10/42/67/194104267.db2.gz RGUXIXCVZPOBIF-UHFFFAOYSA-N 0 0 451.548 4.687 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc32)CC1 ZINC000001370690 194104762 /nfs/dbraw/zinc/10/47/62/194104762.db2.gz ZCMIWNONLLGYRZ-UHFFFAOYSA-N 0 0 468.945 4.900 40 0 JJABRN Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001372794 194106376 /nfs/dbraw/zinc/10/63/76/194106376.db2.gz JVWPPOALGVSDEF-UHFFFAOYSA-N 0 0 468.561 4.837 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)Cc3ccc(C)cc3)cc2c1 ZINC000001373329 194107097 /nfs/dbraw/zinc/10/70/97/194107097.db2.gz GYMYIEZTRPDQRE-UHFFFAOYSA-N 0 0 456.594 4.703 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000001373303 194107230 /nfs/dbraw/zinc/10/72/30/194107230.db2.gz QQHFJEXHEPKWBD-UHFFFAOYSA-N 0 0 492.627 4.565 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000001373275 194107242 /nfs/dbraw/zinc/10/72/42/194107242.db2.gz RHVPPYPOSRQQAT-UHFFFAOYSA-N 0 0 484.629 4.638 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374079 194108132 /nfs/dbraw/zinc/10/81/32/194108132.db2.gz VCCKEYJGWVQUON-DEOSSOPVSA-N 0 0 488.617 4.933 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374398 194108742 /nfs/dbraw/zinc/10/87/42/194108742.db2.gz PGMQTVVDJSXYAW-VWLOTQADSA-N 0 0 488.636 4.864 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374288 194108830 /nfs/dbraw/zinc/10/88/30/194108830.db2.gz KQZWCUCKAVJFBZ-VWLOTQADSA-N 0 0 474.584 4.906 40 0 JJABRN CC[C@H](c1nnnn1C1CCCC1)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375050 194109344 /nfs/dbraw/zinc/10/93/44/194109344.db2.gz OWQDOKNXTYSDIN-RUZDIDTESA-N 0 0 471.609 4.795 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375364 194109884 /nfs/dbraw/zinc/10/98/84/194109884.db2.gz YAVWEBIJARXPJH-DEOSSOPVSA-N 0 0 472.549 4.519 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 ZINC000001353943 194100459 /nfs/dbraw/zinc/10/04/59/194100459.db2.gz PCCBWYZANHNLIH-DEOSSOPVSA-N 0 0 464.543 4.572 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccncc2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000001354113 194100713 /nfs/dbraw/zinc/10/07/13/194100713.db2.gz CQUJUSIHRXMUCO-SANMLTNESA-N 0 0 489.572 4.924 40 0 JJABRN Cc1ccc(C(=O)CN2c3cc(C(=O)N4CCCc5ccccc54)ccc3OC(C)(C)C2=O)cc1 ZINC000001355404 194101167 /nfs/dbraw/zinc/10/11/67/194101167.db2.gz PDQGNAMVPONLPJ-UHFFFAOYSA-N 0 0 468.553 4.975 40 0 JJABRN Cc1cccc(NC(=O)Cn2nnc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)n2)c1C ZINC000001358075 194101521 /nfs/dbraw/zinc/10/15/21/194101521.db2.gz IVSXQVYWWFEMDG-UHFFFAOYSA-N 0 0 460.925 4.501 40 0 JJABRN COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)C3)n2)c1 ZINC000001360426 194102013 /nfs/dbraw/zinc/10/20/13/194102013.db2.gz PIEOFGMSGPDQCD-GOSISDBHSA-N 0 0 455.580 4.611 40 0 JJABRN CCOc1ccccc1CN(Cc1cccnc1)C(=O)CN1c2cc(C)ccc2O[C@H](CC)C1=O ZINC000001362328 194102495 /nfs/dbraw/zinc/10/24/95/194102495.db2.gz PYJVWCJXLOXAPM-XMMPIXPASA-N 0 0 473.573 4.522 40 0 JJABRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccccc4C(F)(F)F)C3)n2)cc1 ZINC000001363225 194102686 /nfs/dbraw/zinc/10/26/86/194102686.db2.gz POTZNRBRMXBHEN-INIZCTEOSA-N 0 0 451.470 4.632 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NCc1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000001376256 194110890 /nfs/dbraw/zinc/11/08/90/194110890.db2.gz HPJXDIUBCAHMSF-MUUNZHRXSA-N 0 0 493.567 4.732 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000001376308 194111194 /nfs/dbraw/zinc/11/11/94/194111194.db2.gz MTASKQSTUWCSQR-HHHXNRCGSA-N 0 0 497.530 4.563 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000001376370 194111410 /nfs/dbraw/zinc/11/14/10/194111410.db2.gz MJUSEYTWLAXFSA-AREMUKBSSA-N 0 0 499.958 4.769 40 0 JJABRN COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000001378270 194112522 /nfs/dbraw/zinc/11/25/22/194112522.db2.gz OJBTWADWEIZORS-UHFFFAOYSA-N 0 0 471.513 4.808 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000001380291 194112848 /nfs/dbraw/zinc/11/28/48/194112848.db2.gz MXLDMZZQEOONIT-MUUNZHRXSA-N 0 0 493.542 4.661 40 0 JJABRN CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCN(Cc3ccccc3)CC1)CCCC2 ZINC000001448713 194123153 /nfs/dbraw/zinc/12/31/53/194123153.db2.gz RJEAIRQCBOCKKW-SANMLTNESA-N 0 0 460.647 4.888 40 0 JJABRN O=C(COc1ccc(-c2ccccc2)cc1)OCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000001810677 194144652 /nfs/dbraw/zinc/14/46/52/194144652.db2.gz OFJAYAPJHURMNG-UHFFFAOYSA-N 0 0 494.341 4.724 40 0 JJABRN CCN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000003062707 194222710 /nfs/dbraw/zinc/22/27/10/194222710.db2.gz TZRYRQSCPXRUSR-ZBQZNYHESA-N 0 0 468.299 4.554 40 0 JJABRN COc1cc2c(cc1OCc1ccccc1)C(c1cc(OC)c(OC)c(OC)c1)=C1C(=O)OC[C@@H]1C2 ZINC000003132277 194229879 /nfs/dbraw/zinc/22/98/79/194229879.db2.gz ORSRGCTUOOEOBQ-FQEVSTJZSA-N 0 0 488.536 4.831 40 0 JJABRN Oc1ccccc1N[C@@H]([C@H](Nc1ccccc1O)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000003143159 194231502 /nfs/dbraw/zinc/23/15/02/194231502.db2.gz SYLVILXQRAAIQJ-CLJLJLNGSA-N 0 0 478.516 4.509 40 0 JJABRN Cc1ccccc1Cn1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cn1 ZINC000003645207 194348237 /nfs/dbraw/zinc/34/82/37/194348237.db2.gz CHNFNDBDLJATPU-PXNSSMCTSA-N 0 0 470.455 4.942 40 0 JJABRN CC1=Nc2ncnn2[C@H](c2cc(Br)ccc2OCc2ccccc2)C1C(=O)OC(C)C ZINC000004291174 194387674 /nfs/dbraw/zinc/38/76/74/194387674.db2.gz OAQADRRFOLKZGR-OAQYLSRUSA-N 0 0 483.366 4.860 40 0 JJABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000004354953 194388363 /nfs/dbraw/zinc/38/83/63/194388363.db2.gz OELJPGSKSJWXJG-AREMUKBSSA-N 0 0 493.629 4.624 40 0 JJABRN CCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)cc1NC(=O)c1ccco1 ZINC000004388776 194388941 /nfs/dbraw/zinc/38/89/41/194388941.db2.gz MRGSFNBCDBQOIV-UHFFFAOYSA-N 0 0 484.505 4.607 40 0 JJABRN COc1ccc(N[C@H]2Oc3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H]2C)OCO4)cc1 ZINC000005741959 194407210 /nfs/dbraw/zinc/40/72/10/194407210.db2.gz XWPTTYCGUZLNFK-DKIGARLYSA-N 0 0 465.502 4.745 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000008680659 194475424 /nfs/dbraw/zinc/47/54/24/194475424.db2.gz POZPNDPDKFMYES-RUZDIDTESA-N 0 0 494.617 4.592 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)c1 ZINC000008994867 194499691 /nfs/dbraw/zinc/49/96/91/194499691.db2.gz QLNFZXIOWBUEST-AREMUKBSSA-N 0 0 488.588 4.504 40 0 JJABRN COc1ccc(Cn2c3nnc(-c4ccc(Br)cc4)n3c3ccccc3c2=O)cc1 ZINC000009252115 194635543 /nfs/dbraw/zinc/63/55/43/194635543.db2.gz JMHPZPRTSWYOKW-UHFFFAOYSA-N 0 0 461.319 4.531 40 0 JJABRN Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000009635688 194838941 /nfs/dbraw/zinc/83/89/41/194838941.db2.gz MAKFQGKYCITQLO-IHMCZWCLSA-N 0 0 458.602 4.992 40 0 JJABRN Cc1ccc(C(=O)Cn2c3ccc(Br)cc3c(=O)n(C3CCCCC3)c2=O)cc1 ZINC000009935579 195027629 /nfs/dbraw/zinc/02/76/29/195027629.db2.gz CUAXLOOLJJMEOU-UHFFFAOYSA-N 0 0 455.352 4.622 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc3ncn4c(SCC(=O)NCc5cccs5)nnc4c23)C1 ZINC000012640862 195070470 /nfs/dbraw/zinc/07/04/70/195070470.db2.gz IVMZIHAJPIJMGA-CYBMUJFWSA-N 0 0 471.677 4.960 40 0 JJABRN O=C(NC1CCCC1)C(=O)N(c1ccc(Cl)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000012641131 195070651 /nfs/dbraw/zinc/07/06/51/195070651.db2.gz JUMRTUPFHRCWHD-NRFANRHFSA-N 0 0 474.026 4.593 40 0 JJABRN COC(=O)c1ccc(NC(=O)CSc2nnc3c4c(-c5ccc(F)cc5)csc4ncn23)cc1 ZINC000012641126 195070687 /nfs/dbraw/zinc/07/06/87/195070687.db2.gz WRUFAVYAGHCJAP-UHFFFAOYSA-N 0 0 493.545 4.663 40 0 JJABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)C(=O)Nc2ccccc2F)c2ccccc2F)cc1 ZINC000012641865 195071642 /nfs/dbraw/zinc/07/16/42/195071642.db2.gz MIQYIDZGZQLNIZ-HSZRJFAPSA-N 0 0 495.526 4.601 40 0 JJABRN Cc1ccc(NC(=O)CN2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c(Br)c1 ZINC000012644445 195073216 /nfs/dbraw/zinc/07/32/16/195073216.db2.gz LKMGVOFAAKUUDO-UHFFFAOYSA-N 0 0 486.454 4.888 40 0 JJABRN CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000012645002 195073677 /nfs/dbraw/zinc/07/36/77/195073677.db2.gz MLAUSULBYMVQSR-UHFFFAOYSA-N 0 0 472.541 4.787 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000012662530 195081534 /nfs/dbraw/zinc/08/15/34/195081534.db2.gz BACBBWRARCHFCT-BIAIKVISSA-N 0 0 460.659 4.705 40 0 JJABRN COCCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000012710835 195094661 /nfs/dbraw/zinc/09/46/61/195094661.db2.gz BOJKTJBCTQSXIT-UHFFFAOYSA-N 0 0 453.589 4.605 40 0 JJABRN COc1ccc(C(=O)N(CC(=O)NCc2ccccc2)c2cccc3ccccc32)cc1OC ZINC000012705701 195092775 /nfs/dbraw/zinc/09/27/75/195092775.db2.gz LSWKYBHVJLFTGF-UHFFFAOYSA-N 0 0 454.526 4.820 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000012708413 195093935 /nfs/dbraw/zinc/09/39/35/195093935.db2.gz BGOCRLFNVHHJLT-NRFANRHFSA-N 0 0 455.942 4.793 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000012712923 195095735 /nfs/dbraw/zinc/09/57/35/195095735.db2.gz KDCFPZUEMDSCJP-SANMLTNESA-N 0 0 491.542 4.646 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)cc1 ZINC000012712704 195095774 /nfs/dbraw/zinc/09/57/74/195095774.db2.gz MGMUBNWIHTZTOM-MUUNZHRXSA-N 0 0 483.616 4.985 40 0 JJABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000012712647 195095783 /nfs/dbraw/zinc/09/57/83/195095783.db2.gz YJKYKHCHTHRJSA-NDEPHWFRSA-N 0 0 499.615 4.685 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000012713138 195096058 /nfs/dbraw/zinc/09/60/58/195096058.db2.gz HWMOTICSXYKTSO-AREMUKBSSA-N 0 0 473.552 4.507 40 0 JJABRN CCOc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2)c1 ZINC000012713394 195096194 /nfs/dbraw/zinc/09/61/94/195096194.db2.gz OYJARMKDXLQQIY-MUUNZHRXSA-N 0 0 499.615 4.767 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000012713517 195096332 /nfs/dbraw/zinc/09/63/32/195096332.db2.gz OMFGRMWOWCAPFF-HHHXNRCGSA-N 0 0 469.589 4.677 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)cc1 ZINC000012714012 195096489 /nfs/dbraw/zinc/09/64/89/195096489.db2.gz IUWAWGAGGMCUOR-HHHXNRCGSA-N 0 0 499.615 4.828 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012713873 195096523 /nfs/dbraw/zinc/09/65/23/195096523.db2.gz HKHVOGSCOZWNDP-HHHXNRCGSA-N 0 0 499.615 4.515 40 0 JJABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2C)c1 ZINC000012714305 195096684 /nfs/dbraw/zinc/09/66/84/195096684.db2.gz APAZVLNHKKCCNE-MHZLTWQESA-N 0 0 499.615 4.746 40 0 JJABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)c1 ZINC000012714252 195096691 /nfs/dbraw/zinc/09/66/91/195096691.db2.gz NWHXUIYQKKMGGP-HHHXNRCGSA-N 0 0 499.615 4.746 40 0 JJABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)c1 ZINC000012714281 195096716 /nfs/dbraw/zinc/09/67/16/195096716.db2.gz BDEPRTHGIKYIAI-MHZLTWQESA-N 0 0 499.615 4.746 40 0 JJABRN COc1ccccc1N(C(=O)c1ccc2c(c1)OCCO2)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012714771 195096845 /nfs/dbraw/zinc/09/68/45/195096845.db2.gz KPRJBTHCGXDGSX-VWLOTQADSA-N 0 0 492.547 4.908 40 0 JJABRN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(CC(=O)OCc1ccccc1)C(=O)C(C)(C)O2 ZINC000012875353 195165692 /nfs/dbraw/zinc/16/56/92/195165692.db2.gz ZOMBLFMPMAUHGD-UHFFFAOYSA-N 0 0 472.541 4.803 40 0 JJABRN COc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(N5CCCC5)cc4)n23)cc1 ZINC000012878770 195167523 /nfs/dbraw/zinc/16/75/23/195167523.db2.gz LZBAFHSZDVSPIK-UHFFFAOYSA-N 0 0 465.604 4.797 40 0 JJABRN Cc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000012880110 195167868 /nfs/dbraw/zinc/16/78/68/195167868.db2.gz XKMCMYPBABWECJ-OFVILXPXSA-N 0 0 476.573 4.805 40 0 JJABRN COc1ccc(CCNc2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2Cl)cc1OC ZINC000012881095 195168359 /nfs/dbraw/zinc/16/83/59/195168359.db2.gz UJLRXOLBBIBSOM-UHFFFAOYSA-N 0 0 492.889 4.614 40 0 JJABRN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1Cl ZINC000020611502 195185204 /nfs/dbraw/zinc/18/52/04/195185204.db2.gz IVMQLITYEQESGC-UHFFFAOYSA-N 0 0 460.155 4.853 40 0 JJABRN Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611661 195185617 /nfs/dbraw/zinc/18/56/17/195185617.db2.gz YAUXUEBLONYQGX-UHFFFAOYSA-N 0 0 474.182 4.918 40 0 JJABRN CCOc1ccc2nc(Nc3nc(C)c(Cc4ccc(Br)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020797949 195226498 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DEPQQSLTJYPIAP-UHFFFAOYSA-N 0 0 450.560 4.788 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020766327 195221555 /nfs/dbraw/zinc/22/15/55/195221555.db2.gz BVECNECDJIRYGO-QGZVFWFLSA-N 0 0 454.979 4.973 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766484 195221787 /nfs/dbraw/zinc/22/17/87/195221787.db2.gz FIDMYFOANOKACX-UHFFFAOYSA-N 0 0 456.951 4.742 40 0 JJABRN O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21 ZINC000020766804 195222165 /nfs/dbraw/zinc/22/21/65/195222165.db2.gz LVGUPJCZRAKZRM-UHFFFAOYSA-N 0 0 489.366 4.982 40 0 JJABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767263 195222750 /nfs/dbraw/zinc/22/27/50/195222750.db2.gz KLNQEGGNWDAMLN-UHFFFAOYSA-N 0 0 498.988 4.911 40 0 JJABRN COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccccc4Cl)nc3nc2C1 ZINC000020796439 195225816 /nfs/dbraw/zinc/22/58/16/195225816.db2.gz WPQDDLGFVPTLPJ-HNNXBMFYSA-N 0 0 450.951 4.991 40 0 JJABRN O=C(C[C@H]1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000021005870 195266234 /nfs/dbraw/zinc/26/62/34/195266234.db2.gz JCGYUZMRZIFVCH-DEOSSOPVSA-N 0 0 485.494 4.955 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)CC2)cc1 ZINC000021123952 195279901 /nfs/dbraw/zinc/27/99/01/195279901.db2.gz SLWGZYQFQGBOFF-UHFFFAOYSA-N 0 0 477.992 4.882 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c(C)c1 ZINC000021124066 195280207 /nfs/dbraw/zinc/28/02/07/195280207.db2.gz MEYRXRDMGJXKMS-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000021450351 195301415 /nfs/dbraw/zinc/30/14/15/195301415.db2.gz WGPOJIDSCXNCNX-IBGZPJMESA-N 0 0 461.949 4.570 40 0 JJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057589641 195351520 /nfs/dbraw/zinc/35/15/20/195351520.db2.gz DQDKRMRCEKOYNW-MHZLTWQESA-N 0 0 478.600 4.791 40 0 JJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589745 195351887 /nfs/dbraw/zinc/35/18/87/195351887.db2.gz ZFVZXYCLFHXMPB-DEOSSOPVSA-N 0 0 458.610 4.888 40 0 JJABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594612 195352156 /nfs/dbraw/zinc/35/21/56/195352156.db2.gz MRFUIANFZWEPGM-RUZDIDTESA-N 0 0 472.593 4.640 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641101 195354960 /nfs/dbraw/zinc/35/49/60/195354960.db2.gz ULADWPSIRNKQFX-VWLOTQADSA-N 0 0 472.593 4.792 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640966 195355178 /nfs/dbraw/zinc/35/51/78/195355178.db2.gz ONBODSOWDDQGKX-DEOSSOPVSA-N 0 0 476.581 4.775 40 0 JJABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641790 195355914 /nfs/dbraw/zinc/35/59/14/195355914.db2.gz VWUXWAUERQMNDW-RDPSFJRHSA-N 0 0 492.649 4.525 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000057643365 195356862 /nfs/dbraw/zinc/35/68/62/195356862.db2.gz BOQWGRKWMKAEHG-UHFFFAOYSA-N 0 0 488.592 4.583 40 0 JJABRN COc1cc2cc(CNc3ccc(CCc4nc5ccccc5[nH]4)cc3)c(=O)[nH]c2cc1OC ZINC000057709796 195357682 /nfs/dbraw/zinc/35/76/82/195357682.db2.gz VYYVAPZVAFCTEK-UHFFFAOYSA-N 0 0 454.530 4.819 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1 ZINC000021576896 195315441 /nfs/dbraw/zinc/31/54/41/195315441.db2.gz FXMDHBODCJPNLQ-UHFFFAOYSA-N 0 0 455.514 4.656 40 0 JJABRN Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c1 ZINC000021576940 195315598 /nfs/dbraw/zinc/31/55/98/195315598.db2.gz JNPBXSXZSFPIBU-UHFFFAOYSA-N 0 0 498.608 4.830 40 0 JJABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000021595577 195317862 /nfs/dbraw/zinc/31/78/62/195317862.db2.gz QWWOFXLFRJLJAK-UHFFFAOYSA-N 0 0 453.764 4.735 40 0 JJABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4c[nH]c5ccccc45)c(=O)n31)c1ccccc1CC2 ZINC000058856409 195385350 /nfs/dbraw/zinc/38/53/50/195385350.db2.gz KNPAXNKZANOPLR-FUFNRSNVSA-N 0 0 489.600 4.809 40 0 JJABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccc(F)cc3)sc2=N1 ZINC000058872211 195385947 /nfs/dbraw/zinc/38/59/47/195385947.db2.gz RYWGYDCXHNPVHB-ZDQFFALBSA-N 0 0 492.616 4.841 40 0 JJABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3cccs3)sc2=N1 ZINC000058872187 195386049 /nfs/dbraw/zinc/38/60/49/195386049.db2.gz YWNRDBVAZJNVAM-RNHBDSLOSA-N 0 0 480.655 4.763 40 0 JJABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C/c3ccccc3)sc2=N1 ZINC000058872122 195386088 /nfs/dbraw/zinc/38/60/88/195386088.db2.gz JBAGDUMXXJNRQP-IVNHJSRESA-N 0 0 474.626 4.702 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099198 195387544 /nfs/dbraw/zinc/38/75/44/195387544.db2.gz QMJZHJZILQDMFV-UHFFFAOYSA-N 0 0 464.378 4.961 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c1 ZINC000059179704 195393489 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/nfs/dbraw/zinc/46/30/68/195463068.db2.gz YRKBKGRGNQKTQA-QFIPXVFZSA-N 0 0 494.657 4.966 40 0 JJABRN CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224829132 195463071 /nfs/dbraw/zinc/46/30/71/195463071.db2.gz YRKBKGRGNQKTQA-JOCHJYFZSA-N 0 0 494.657 4.966 40 0 JJABRN CCc1cccc(CC)c1N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000224830470 195463141 /nfs/dbraw/zinc/46/31/41/195463141.db2.gz XZLJGAWVXBQJOD-UHFFFAOYSA-N 0 0 498.620 4.726 40 0 JJABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224829946 195463193 /nfs/dbraw/zinc/46/31/93/195463193.db2.gz KSHIUQDHMJUWDU-LJQANCHMSA-N 0 0 484.593 4.845 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000224836993 195464642 /nfs/dbraw/zinc/46/46/42/195464642.db2.gz QZPYGXQGRSONJD-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 ZINC000224845155 195466646 /nfs/dbraw/zinc/46/66/46/195466646.db2.gz VNDKLBLNAROODU-VWLOTQADSA-N 0 0 462.565 4.678 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 ZINC000224856980 195468494 /nfs/dbraw/zinc/46/84/94/195468494.db2.gz XZGDURNDCZWACO-UHFFFAOYSA-N 0 0 476.948 4.566 40 0 JJABRN COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(C(=O)c2ccc(Cl)cc2)C3)cc1 ZINC000096111698 129958854 /nfs/dbraw/zinc/95/88/54/129958854.db2.gz LFANAFMVXFWBOP-GMAHTHKFSA-N 0 0 462.933 4.558 40 0 biogenic,in-vitro JJABRN O=C(/C=C/C(=O)Nc1ncnc2sc3c(c21)CCCC3)Nc1ncnc2sc3c(c21)CCCC3 ZINC000096305885 130055517 /nfs/dbraw/zinc/05/55/17/130055517.db2.gz GBZUXHHNABQNCO-MDZDMXLPSA-N 0 0 490.614 4.587 40 0 JJABRN CC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000012407775 518219558 /nfs/dbraw/zinc/21/95/58/518219558.db2.gz RBORSJQUIAOABA-UFMUVLMGSA-N 0 0 480.152 4.938 40 0 JJABRN CC(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000016321944 518360447 /nfs/dbraw/zinc/36/04/47/518360447.db2.gz HMXURUZDQQAAMC-UHFFFAOYSA-N 0 0 476.476 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/nfs/dbraw/zinc/06/78/46/526067846.db2.gz UWWJJJSWIWOVJD-IBGZPJMESA-N 0 0 496.654 4.806 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466259 526085865 /nfs/dbraw/zinc/08/58/65/526085865.db2.gz CJSQVPUJKLPVDP-DQZWIMGWSA-N 0 0 462.634 4.561 40 0 biogenic,in-vitro JJABRN COc1cccc(N(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)c1 ZINC000030866108 526136091 /nfs/dbraw/zinc/13/60/91/526136091.db2.gz ICDKXRAVKRHFPR-UHFFFAOYSA-N 0 0 494.613 4.628 40 0 JJABRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]2CSCN21 ZINC000013539906 526214033 /nfs/dbraw/zinc/21/40/33/526214033.db2.gz NOBJAYXFPCKAEJ-SRDXBBKJSA-N 0 0 484.577 4.543 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 ZINC000022710488 526216296 /nfs/dbraw/zinc/21/62/96/526216296.db2.gz CKJSLVAWURIADX-UHFFFAOYSA-N 0 0 474.538 4.912 40 0 JJABRN Cc1ccc(C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807479 526240540 /nfs/dbraw/zinc/24/05/40/526240540.db2.gz TXYVFFUIEMPVJQ-YZUKIZEGSA-N 0 0 497.982 4.663 40 0 JJABRN Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4ccccc4OC(=O)[C@@]32C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000014944493 526242120 /nfs/dbraw/zinc/24/21/20/526242120.db2.gz ZPGKJIIPNNKDFQ-OIFPXGRLSA-N 0 0 464.473 4.876 40 0 JJABRN Fc1ccc(CNc2nc(C(F)(F)F)nc3c2nnn3Cc2c(F)cccc2Cl)cc1 ZINC000035310939 526342786 /nfs/dbraw/zinc/34/27/86/526342786.db2.gz VJUBAZFLYMLKFO-UHFFFAOYSA-N 0 0 454.790 4.832 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020459307 526373772 /nfs/dbraw/zinc/37/37/72/526373772.db2.gz IXXRIWNEDOJJKQ-UHFFFAOYSA-N 0 0 478.998 4.943 40 0 JJABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2c(F)cccc2F)C1)Nc1c(F)cccc1F ZINC000019075160 526533560 /nfs/dbraw/zinc/53/35/60/526533560.db2.gz BFFBWZSCYRPTIP-OKILXGFUSA-N 0 0 452.452 4.993 40 0 JJABRN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1Cl)Nc1ccc(F)c(F)c1 ZINC000008604856 526664884 /nfs/dbraw/zinc/66/48/84/526664884.db2.gz JCCRJQAZJOTGEW-UHFFFAOYSA-N 0 0 493.901 4.595 40 0 JJABRN Cc1nc(C)c(C(=O)N(c2cccc(C)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)s1 ZINC000012484553 526691442 /nfs/dbraw/zinc/69/14/42/526691442.db2.gz LKDHVBNCRLLNKL-DHIUTWEWSA-N 0 0 463.603 4.752 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000016491397 526694886 /nfs/dbraw/zinc/69/48/86/526694886.db2.gz VCXXYJHYUQJZFV-UHFFFAOYSA-N 0 0 469.376 4.550 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000016183323 526797528 /nfs/dbraw/zinc/79/75/28/526797528.db2.gz PPVREXQSNPWRNV-LQWHRVPQSA-N 0 0 464.827 4.704 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cc(Cl)cc(Cl)c1 ZINC000019868992 526825910 /nfs/dbraw/zinc/82/59/10/526825910.db2.gz DLTSENSBYPKAOV-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1F)[C@H](C(=O)NC1CCCCC1)c1ccccc1F 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GLUGWBHBIZAUEJ-UHFFFAOYSA-N 0 0 450.438 4.524 40 0 JJABRN Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1)CCCC3 ZINC000012486359 527026182 /nfs/dbraw/zinc/02/61/82/527026182.db2.gz SZBCGUAZYQZQKB-UHFFFAOYSA-N 0 0 468.629 4.728 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000044884262 527039752 /nfs/dbraw/zinc/03/97/52/527039752.db2.gz YHXCAODUSURORU-VGSWGCGISA-N 0 0 481.445 4.729 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000044884267 527039793 /nfs/dbraw/zinc/03/97/93/527039793.db2.gz YHXCAODUSURORU-JTSKRJEESA-N 0 0 481.445 4.729 40 0 JJABRN O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc(Br)s1 ZINC000013566530 527079775 /nfs/dbraw/zinc/07/97/75/527079775.db2.gz DKWPIVKFYGAXMX-UHFFFAOYSA-N 0 0 470.377 4.795 40 0 JJABRN O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000016789559 527082558 /nfs/dbraw/zinc/08/25/58/527082558.db2.gz LHBKTJWVJVTFCU-UHFFFAOYSA-N 0 0 457.346 4.762 40 0 JJABRN O=C(C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000016480239 527096707 /nfs/dbraw/zinc/09/67/07/527096707.db2.gz QTVMQUYFILFYLD-JOCHJYFZSA-N 0 0 466.921 4.707 40 0 JJABRN Cc1nc2c(cc(-c3ccc(C)cc3)nc2C(=O)Nc2ccc(F)c(F)c2)n1[C@@H]1CCS(=O)(=O)C1 ZINC000041104911 527096781 /nfs/dbraw/zinc/09/67/81/527096781.db2.gz GXANQAPMPZTZPI-GOSISDBHSA-N 0 0 496.539 4.605 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020453437 527104178 /nfs/dbraw/zinc/10/41/78/527104178.db2.gz PAVHYPQIOAQRAT-KRWDZBQOSA-N 0 0 488.959 4.972 40 0 JJABRN O=C(Cc1sc(Nc2ccc(Br)cc2)nc1O)Nc1ccc(Br)cc1 ZINC000016754280 527145994 /nfs/dbraw/zinc/14/59/94/527145994.db2.gz WYSRSRXADVLRBU-AWEZNQCLSA-N 0 0 483.185 4.650 40 0 JJABRN O=S(=O)(CCCCCCCCCCCCS(=O)(=O)N1CCCCC1)N1CCCCC1 ZINC000016138066 527171547 /nfs/dbraw/zinc/17/15/47/527171547.db2.gz CJVFVIAAEOLJDQ-UHFFFAOYSA-N 0 0 464.738 4.519 40 0 JJABRN O=C(Nc1ccc2c(c1)OCO2)C(=O)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000012484371 527288145 /nfs/dbraw/zinc/28/81/45/527288145.db2.gz CVHUPKQUPYMAOL-AREMUKBSSA-N 0 0 499.567 4.577 40 0 JJABRN O=C(Cc1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000012477369 527300304 /nfs/dbraw/zinc/30/03/04/527300304.db2.gz IYVYHQKGUHJAQH-SANMLTNESA-N 0 0 461.631 4.947 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020481558 527385219 /nfs/dbraw/zinc/38/52/19/527385219.db2.gz ALVGVEZQCPJIDG-UHFFFAOYSA-N 0 0 495.004 4.873 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044946901 527385761 /nfs/dbraw/zinc/38/57/61/527385761.db2.gz DVXITWHWMVXEMZ-UHFFFAOYSA-N 0 0 495.004 4.873 40 0 JJABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1Br ZINC000020151767 527459201 /nfs/dbraw/zinc/45/92/01/527459201.db2.gz YXEMDADHHMYUPF-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000016384475 527459274 /nfs/dbraw/zinc/45/92/74/527459274.db2.gz CYQKEBIWAGRBTC-UHFFFAOYSA-N 0 0 478.323 4.976 40 0 JJABRN O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(I)cc1 ZINC000016525155 527460455 /nfs/dbraw/zinc/46/04/55/527460455.db2.gz RZSPDKWAKKSFOV-UHFFFAOYSA-N 0 0 498.349 4.961 40 0 JJABRN O=C(NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(Cl)ccc1Cl ZINC000022706235 527460951 /nfs/dbraw/zinc/46/09/51/527460951.db2.gz KTVRUOIMLDXCAF-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(I)cc1 ZINC000016524058 527461318 /nfs/dbraw/zinc/46/13/18/527461318.db2.gz JBZNFNSYNNTSPC-UHFFFAOYSA-N 0 0 470.335 4.989 40 0 JJABRN O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc2ccccc2c1 ZINC000022532075 527462795 /nfs/dbraw/zinc/46/27/95/527462795.db2.gz FNLDRLLUMWPCSN-UHFFFAOYSA-N 0 0 451.507 4.767 40 0 JJABRN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020461065 527466650 /nfs/dbraw/zinc/46/66/50/527466650.db2.gz MRPBRUBVMGQLAD-SANMLTNESA-N 0 0 476.642 4.567 40 0 JJABRN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(I)c1 ZINC000014581958 527536573 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ZINC000013423960 555397788 /nfs/dbraw/zinc/39/77/88/555397788.db2.gz IJNPHJMYRZECHV-UHFFFAOYSA-N 0 0 455.893 4.830 40 0 JJABRN Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)n1 ZINC000013424174 555398201 /nfs/dbraw/zinc/39/82/01/555398201.db2.gz PLPGNEXVGKBJFF-UHFFFAOYSA-N 0 0 456.380 4.806 40 0 JJABRN O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 ZINC000013425518 555399528 /nfs/dbraw/zinc/39/95/28/555399528.db2.gz BVMWMHWLJGHCNR-CQSZACIVSA-N 0 0 464.374 4.613 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnsn2)c2ccc(F)cc2)cc1OC ZINC000013494404 555404121 /nfs/dbraw/zinc/40/41/21/555404121.db2.gz PTMLUILFGRUIPO-HSZRJFAPSA-N 0 0 498.580 4.531 40 0 JJABRN Cc1ccc(CN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1C ZINC000013494343 555404124 /nfs/dbraw/zinc/40/41/24/555404124.db2.gz GXSLGDNPKJTKEB-DEOSSOPVSA-N 0 0 462.619 4.988 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494464 555404577 /nfs/dbraw/zinc/40/45/77/555404577.db2.gz LHCKSAOFJYNRHI-QHCPKHFHSA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494463 555404590 /nfs/dbraw/zinc/40/45/90/555404590.db2.gz LHCKSAOFJYNRHI-HSZRJFAPSA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495496 555408038 /nfs/dbraw/zinc/40/80/38/555408038.db2.gz XXQLJADZXNWFNE-ZEQRLZLVSA-N 0 0 478.641 4.769 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495633 555408514 /nfs/dbraw/zinc/40/85/14/555408514.db2.gz ZYCUVFGDCJEAIY-SANMLTNESA-N 0 0 482.588 4.812 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495614 555408593 /nfs/dbraw/zinc/40/85/93/555408593.db2.gz IQOBKQJBHHROAQ-AREMUKBSSA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495648 555408775 /nfs/dbraw/zinc/40/87/75/555408775.db2.gz KGRKFYGUYNXAMP-RUZDIDTESA-N 0 0 482.588 4.926 40 0 JJABRN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)c1 ZINC000009593668 555408959 /nfs/dbraw/zinc/40/89/59/555408959.db2.gz IJSUNHHCVDZIKY-SMHULIPUSA-N 0 0 460.456 4.858 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495743 555409175 /nfs/dbraw/zinc/40/91/75/555409175.db2.gz UVPLWQRVTFICAF-QFIPXVFZSA-N 0 0 474.590 4.679 40 0 JJABRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000013496613 555412009 /nfs/dbraw/zinc/41/20/09/555412009.db2.gz LOMUUFFBUPDDFP-NIRIFSCTSA-N 0 0 457.954 4.687 40 0 JJABRN CCOc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497787 555415321 /nfs/dbraw/zinc/41/53/21/555415321.db2.gz XLLXBIYTPQPUQM-RUZDIDTESA-N 0 0 463.603 4.918 40 0 JJABRN CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013497780 555415358 /nfs/dbraw/zinc/41/53/58/555415358.db2.gz KYMPQBQUWRUTGF-VWLOTQADSA-N 0 0 463.603 4.918 40 0 JJABRN COc1ccc(C)cc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497784 555415379 /nfs/dbraw/zinc/41/53/79/555415379.db2.gz CALGFSTWWVSOND-VWLOTQADSA-N 0 0 463.603 4.836 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498474 555421155 /nfs/dbraw/zinc/42/11/55/555421155.db2.gz VPHHWCQVROAVLS-VWLOTQADSA-N 0 0 486.576 4.711 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498605 555422433 /nfs/dbraw/zinc/42/24/33/555422433.db2.gz GUDXSFBCOIQODU-QFIPXVFZSA-N 0 0 480.638 4.739 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498749 555424237 /nfs/dbraw/zinc/42/42/37/555424237.db2.gz OCOKMLGGANJRDH-RUZDIDTESA-N 0 0 488.636 4.986 40 0 JJABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009694971 555424718 /nfs/dbraw/zinc/42/47/18/555424718.db2.gz BMQVTIBODRBWQC-UHFFFAOYSA-N 0 0 471.387 4.736 40 0 JJABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000009694981 555425124 /nfs/dbraw/zinc/42/51/24/555425124.db2.gz UFDZGTBQTVJTEN-UHFFFAOYSA-N 0 0 471.387 4.736 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499092 555428054 /nfs/dbraw/zinc/42/80/54/555428054.db2.gz ITACMDRJWSVYOJ-RUZDIDTESA-N 0 0 486.576 4.765 40 0 JJABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499299 555430030 /nfs/dbraw/zinc/43/00/30/555430030.db2.gz GKEVYWPSDXKVBA-AZGAKELHSA-N 0 0 486.620 4.546 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499343 555430775 /nfs/dbraw/zinc/43/07/75/555430775.db2.gz POFBKHZCCPNKQS-XMMPIXPASA-N 0 0 492.599 4.961 40 0 JJABRN CC(=O)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@H](C)CC5)cc1 ZINC000013499687 555434355 /nfs/dbraw/zinc/43/43/55/555434355.db2.gz ROMGFTALFXAQRE-GFCCVEGCSA-N 0 0 465.604 4.706 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4OC)n21)CC[C@H](C)C3 ZINC000013499777 555434720 /nfs/dbraw/zinc/43/47/20/555434720.db2.gz OQJVQTXPXUGVLF-ZDUSSCGKSA-N 0 0 497.646 4.774 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(OC)cc(OC)c4)n21)CC[C@H](C)C3 ZINC000013499832 555435067 /nfs/dbraw/zinc/43/50/67/555435067.db2.gz JRCFYPBBTWPLIB-ZDUSSCGKSA-N 0 0 497.646 4.774 40 0 JJABRN COc1ccccc1CN(Cc1cc2cccc(C)c2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013500236 555438196 /nfs/dbraw/zinc/43/81/96/555438196.db2.gz NFDJVXAAGACTEZ-RUZDIDTESA-N 0 0 488.636 4.986 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500439 555440132 /nfs/dbraw/zinc/44/01/32/555440132.db2.gz JYPVDXIZIYKRMT-SANMLTNESA-N 0 0 482.588 4.864 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500494 555441110 /nfs/dbraw/zinc/44/11/10/555441110.db2.gz BUWMOAGMEMUAKB-XMMPIXPASA-N 0 0 488.617 4.925 40 0 JJABRN CCC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500871 555444811 /nfs/dbraw/zinc/44/48/11/555444811.db2.gz MWYLKDQALXQDIH-ZEQRLZLVSA-N 0 0 478.641 4.851 40 0 JJABRN CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(OCC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500896 555445189 /nfs/dbraw/zinc/44/51/89/555445189.db2.gz PYCJKKTXNQRBOS-UKILVPOCSA-N 0 0 494.640 4.551 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2cccc(C)c2)cc1 ZINC000013501405 555449660 /nfs/dbraw/zinc/44/96/60/555449660.db2.gz AEKJKDTVLLXGNM-HHHXNRCGSA-N 0 0 472.589 4.716 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000013501843 555451684 /nfs/dbraw/zinc/45/16/84/555451684.db2.gz XSRILHJBYCRCGX-QFIPXVFZSA-N 0 0 488.629 4.818 40 0 JJABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c1 ZINC000013502202 555453639 /nfs/dbraw/zinc/45/36/39/555453639.db2.gz UXBGJYMXAZMVOA-SANMLTNESA-N 0 0 473.573 4.936 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c(OC)c1 ZINC000013502219 555453657 /nfs/dbraw/zinc/45/36/57/555453657.db2.gz FCUSIIFPQCPLFX-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013502299 555454190 /nfs/dbraw/zinc/45/41/90/555454190.db2.gz BUZKRUKXTWHMJB-VWLOTQADSA-N 0 0 489.547 4.844 40 0 JJABRN COc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000013502326 555454349 /nfs/dbraw/zinc/45/43/49/555454349.db2.gz RWNIOKZACOKVPY-HHHXNRCGSA-N 0 0 487.600 4.931 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(NC(=O)C3CCCCC3)cc2)nnc1-c1ccncc1 ZINC000013503265 555460050 /nfs/dbraw/zinc/46/00/50/555460050.db2.gz DZMSBHPEIAOPOB-UHFFFAOYSA-N 0 0 464.595 4.610 40 0 JJABRN COc1cccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc(C)ccc3C)CC2)c1OC ZINC000013503825 555461954 /nfs/dbraw/zinc/46/19/54/555461954.db2.gz GCGLJLNYSCOMCY-SANMLTNESA-N 0 0 490.652 4.724 40 0 JJABRN Cc1cccc(N2CCN([C@@H](c3nnnn3CCc3ccccc3)c3ccc(F)cc3)CC2)c1C ZINC000013505460 555466689 /nfs/dbraw/zinc/46/66/89/555466689.db2.gz HWDGUYVIALICER-HHHXNRCGSA-N 0 0 470.596 4.583 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1nc(C)cs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013505630 555467218 /nfs/dbraw/zinc/46/72/18/555467218.db2.gz YCPFWNWGBVNHDO-HSZRJFAPSA-N 0 0 470.639 4.599 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)c(F)c2)[C@@H](C(=O)NC2CCCC2)c2ccco2)no1 ZINC000013505693 555467608 /nfs/dbraw/zinc/46/76/08/555467608.db2.gz MRUXWWYLWXSPPV-RUZDIDTESA-N 0 0 496.539 4.576 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)c(F)c2)o1 ZINC000013506033 555469332 /nfs/dbraw/zinc/46/93/32/555469332.db2.gz HLLMXLCOEHOZBS-XMMPIXPASA-N 0 0 497.592 4.660 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506180 555470073 /nfs/dbraw/zinc/47/00/73/555470073.db2.gz UEOSIBPOXNAWES-VWLOTQADSA-N 0 0 475.614 4.620 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506159 555470102 /nfs/dbraw/zinc/47/01/02/555470102.db2.gz BQQYZNOZZOYLGN-XMMPIXPASA-N 0 0 496.032 4.965 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 ZINC000013506187 555470259 /nfs/dbraw/zinc/47/02/59/555470259.db2.gz BXKMBEAAGFLIHB-AREMUKBSSA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1 ZINC000013506200 555470367 /nfs/dbraw/zinc/47/03/67/555470367.db2.gz SAIYOCBAJYKKIX-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2)o1 ZINC000013506399 555471309 /nfs/dbraw/zinc/47/13/09/555471309.db2.gz HQNLKEAINJKNJN-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000013506426 555471589 /nfs/dbraw/zinc/47/15/89/555471589.db2.gz HHBZOWNPEPPZDK-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013506447 555471663 /nfs/dbraw/zinc/47/16/63/555471663.db2.gz VKVKBHQTOIINGY-QHCPKHFHSA-N 0 0 499.633 4.902 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506435 555471701 /nfs/dbraw/zinc/47/17/01/555471701.db2.gz NZAIYHKJVYNFLN-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000013506487 555471795 /nfs/dbraw/zinc/47/17/95/555471795.db2.gz KQJUKVVFPZQUKV-VWLOTQADSA-N 0 0 493.629 4.598 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013507010 555474815 /nfs/dbraw/zinc/47/48/15/555474815.db2.gz BAEOIXYOEFOCAK-SANMLTNESA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)cc2C)o1 ZINC000013507531 555476551 /nfs/dbraw/zinc/47/65/51/555476551.db2.gz LHUWZKZZXOITSO-AREMUKBSSA-N 0 0 491.588 4.751 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000013507542 555476602 /nfs/dbraw/zinc/47/66/02/555476602.db2.gz GADBGEXUWQSODO-AREMUKBSSA-N 0 0 491.588 4.697 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1F)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013507934 555477483 /nfs/dbraw/zinc/47/74/83/555477483.db2.gz FLXVXSWAEBOGMA-RUZDIDTESA-N 0 0 495.526 4.511 40 0 JJABRN Cc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564966 555500569 /nfs/dbraw/zinc/50/05/69/555500569.db2.gz JXDMPMGYXCTJEF-UHFFFAOYSA-N 0 0 460.603 4.664 40 0 JJABRN CCOc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1 ZINC000013566991 555503690 /nfs/dbraw/zinc/50/36/90/555503690.db2.gz YUXKZPFJYSPNDU-UHFFFAOYSA-N 0 0 459.527 4.991 40 0 JJABRN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)CC(=O)N2 ZINC000013567335 555504734 /nfs/dbraw/zinc/50/47/34/555504734.db2.gz DNBAWASJONHGFW-HNNXBMFYSA-N 0 0 471.966 4.597 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856421 555515642 /nfs/dbraw/zinc/51/56/42/555515642.db2.gz REFBWCVEGVNSFA-UHFFFAOYSA-N 0 0 493.629 4.586 40 0 JJABRN 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/nfs/dbraw/zinc/52/33/69/555523369.db2.gz OMFBTFWZZZWNJD-AWEZNQCLSA-N 0 0 493.503 4.505 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868699 555523393 /nfs/dbraw/zinc/52/33/93/555523393.db2.gz WGYBDGOSNWANOF-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585289 555523422 /nfs/dbraw/zinc/52/34/22/555523422.db2.gz GOFOPUCLUFZKNL-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCCCNC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585445 555523655 /nfs/dbraw/zinc/52/36/55/555523655.db2.gz AIZJFVWTBJDREW-UHFFFAOYSA-N 0 0 466.603 4.686 40 0 JJABRN CCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585566 555523970 /nfs/dbraw/zinc/52/39/70/555523970.db2.gz REFNONICULBWKE-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000013596803 555529146 /nfs/dbraw/zinc/52/91/46/555529146.db2.gz IJCBZJFRFZYUKB-GMAGDTKFSA-N 0 0 460.611 4.707 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000013596573 555529173 /nfs/dbraw/zinc/52/91/73/555529173.db2.gz XTRQVPHRWLJOLA-QKDODKLFSA-N 0 0 480.520 4.908 40 0 JJABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013596047 555529181 /nfs/dbraw/zinc/52/91/81/555529181.db2.gz YTHOSPWMCYANJD-SJORKVTESA-N 0 0 451.032 4.978 40 0 JJABRN CCN(c1ccc2sc(C(=O)NCc3ccccn3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013609923 555533764 /nfs/dbraw/zinc/53/37/64/555533764.db2.gz NYFNCIAMIBKGSB-UHFFFAOYSA-N 0 0 465.600 4.750 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1cc(Cl)c(Cl)cc1Cl ZINC000013612139 555534281 /nfs/dbraw/zinc/53/42/81/555534281.db2.gz MEQCOHORUQRETA-UHFFFAOYSA-N 0 0 499.844 4.602 40 0 JJABRN Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000013611830 555534365 /nfs/dbraw/zinc/53/43/65/555534365.db2.gz CLMKXEBLOVBCPP-UHFFFAOYSA-N 0 0 462.903 4.668 40 0 JJABRN COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O ZINC000019898703 555534445 /nfs/dbraw/zinc/53/44/45/555534445.db2.gz CLRNXXZGYQHZHP-UHFFFAOYSA-N 0 0 469.541 4.913 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000013612338 555534719 /nfs/dbraw/zinc/53/47/19/555534719.db2.gz QSRIPBIFLWMNFT-UHFFFAOYSA-N 0 0 454.979 4.899 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612703 555534799 /nfs/dbraw/zinc/53/47/99/555534799.db2.gz KUFKHEYHOYCDEG-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000013631898 555541638 /nfs/dbraw/zinc/54/16/38/555541638.db2.gz FLSULXZEWKMNBV-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2cccc(Cl)c2)cc1 ZINC000013632115 555541839 /nfs/dbraw/zinc/54/18/39/555541839.db2.gz MZPKTIGCFNBGDE-KRWDZBQOSA-N 0 0 470.978 4.522 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 ZINC000013632360 555542228 /nfs/dbraw/zinc/54/22/28/555542228.db2.gz PWMWEDXDPRSYAX-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCCNC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1cc(Br)ccc1N(CC)C2=O ZINC000013635527 555544685 /nfs/dbraw/zinc/54/46/85/555544685.db2.gz MUZOJLRRRAMNHI-DEOSSOPVSA-N 0 0 481.394 4.518 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(-c4cc(Cl)ccc4OC)o3)o2)cc1OC ZINC000019929147 555545391 /nfs/dbraw/zinc/54/53/91/555545391.db2.gz CEQKYWROYXPMBU-UHFFFAOYSA-N 0 0 460.899 4.758 40 0 JJABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2cccc(Br)c2)n[nH]1 ZINC000019929197 555545908 /nfs/dbraw/zinc/54/59/08/555545908.db2.gz AMGHNAUHZLCLQM-UHFFFAOYSA-N 0 0 453.749 4.627 40 0 JJABRN COCc1nn2c(nnc3c2C[C@H](c2cccc(Cl)c2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013639473 555546500 /nfs/dbraw/zinc/54/65/00/555546500.db2.gz QAXUUIRDUWOCII-INIZCTEOSA-N 0 0 478.936 4.521 40 0 JJABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000019929419 555546583 /nfs/dbraw/zinc/54/65/83/555546583.db2.gz USCCFBCMVCSXMQ-UHFFFAOYSA-N 0 0 471.970 4.902 40 0 JJABRN O=C(Nc1ccc(F)c(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931224 555548623 /nfs/dbraw/zinc/54/86/23/555548623.db2.gz IGICRXSSEFUHAW-LJQANCHMSA-N 0 0 485.339 4.800 40 0 JJABRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000019931761 555549116 /nfs/dbraw/zinc/54/91/16/555549116.db2.gz XNPOHFDZSMLCQY-UHFFFAOYSA-N 0 0 462.553 4.827 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(SC)cc1 ZINC000013646233 555550424 /nfs/dbraw/zinc/55/04/24/555550424.db2.gz MAVWAVIGZHKONS-UHFFFAOYSA-N 0 0 482.627 4.592 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000013645981 555550467 /nfs/dbraw/zinc/55/04/67/555550467.db2.gz DSMHKFBBVCNVDD-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN Cc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000013646146 555550528 /nfs/dbraw/zinc/55/05/28/555550528.db2.gz PLDUOSSJEVONAC-NRFANRHFSA-N 0 0 466.603 4.691 40 0 JJABRN CCSc1ccccc1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000019934243 555551573 /nfs/dbraw/zinc/55/15/73/555551573.db2.gz YKTBRBLHNNNDAQ-UHFFFAOYSA-N 0 0 456.589 4.996 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000019935327 555552540 /nfs/dbraw/zinc/55/25/40/555552540.db2.gz LFFGDODVHZYRPS-UHFFFAOYSA-N 0 0 497.322 4.814 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013648337 555552602 /nfs/dbraw/zinc/55/26/02/555552602.db2.gz DTCMDRMUZCKVQO-FSSWDIPSSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000013648428 555552980 /nfs/dbraw/zinc/55/29/80/555552980.db2.gz SCGCFJHJPDWUDQ-UHFFFAOYSA-N 0 0 471.022 4.977 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000013648422 555553048 /nfs/dbraw/zinc/55/30/48/555553048.db2.gz AKOMSEBUSURIAE-UHFFFAOYSA-N 0 0 456.995 4.836 40 0 JJABRN CCc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935913 555553184 /nfs/dbraw/zinc/55/31/84/555553184.db2.gz ZAOYVTCSPQOWGL-XMMPIXPASA-N 0 0 452.576 4.648 40 0 JJABRN CN(C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 ZINC000013649361 555553616 /nfs/dbraw/zinc/55/36/16/555553616.db2.gz AMSBQIQLXIOSRO-UHFFFAOYSA-N 0 0 452.620 4.583 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2OC)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936077 555553737 /nfs/dbraw/zinc/55/37/37/555553737.db2.gz MFLMTELVEPWDMF-JOCHJYFZSA-N 0 0 488.993 4.748 40 0 JJABRN CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(C)(=O)=O ZINC000013650944 555554103 /nfs/dbraw/zinc/55/41/03/555554103.db2.gz NZWPFJNQOZFEDT-ROUUACIJSA-N 0 0 480.579 4.506 40 0 in-vivo JJABRN CCN(c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000019937916 555554956 /nfs/dbraw/zinc/55/49/56/555554956.db2.gz MVVIYVTXAWTYAA-UHFFFAOYSA-N 0 0 478.492 4.938 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000013668642 555557817 /nfs/dbraw/zinc/55/78/17/555557817.db2.gz PGOXGDAISZDGDV-UHFFFAOYSA-N 0 0 498.626 4.728 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000013668977 555558378 /nfs/dbraw/zinc/55/83/78/555558378.db2.gz NNJRKFKWGMEJGK-UHFFFAOYSA-N 0 0 474.966 4.581 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013669803 555559977 /nfs/dbraw/zinc/55/99/77/555559977.db2.gz KXYRQRGWGUYXSS-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000013671208 555562921 /nfs/dbraw/zinc/56/29/21/555562921.db2.gz UDLNNDMHOPGXJI-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019946361 555563016 /nfs/dbraw/zinc/56/30/16/555563016.db2.gz ANOOGJWATMSLIQ-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)c2ccccc2)cc1 ZINC000019946183 555563060 /nfs/dbraw/zinc/56/30/60/555563060.db2.gz NXJPQBXZAGICDT-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCCC1 ZINC000013671483 555563161 /nfs/dbraw/zinc/56/31/61/555563161.db2.gz RWMXOASXMOWPEE-GOSISDBHSA-N 0 0 458.624 4.658 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000013671867 555563471 /nfs/dbraw/zinc/56/34/71/555563471.db2.gz ICKCVSMKROCZSQ-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000013672468 555563902 /nfs/dbraw/zinc/56/39/02/555563902.db2.gz MXOOGJWNEITDMW-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000013674655 555566050 /nfs/dbraw/zinc/56/60/50/555566050.db2.gz UNXKATQXFWLMBK-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000013675383 555566648 /nfs/dbraw/zinc/56/66/48/555566648.db2.gz SKRTVICDYPCGAR-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C(=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 ZINC000013675879 555566918 /nfs/dbraw/zinc/56/69/18/555566918.db2.gz UKYJROSTZVKUTN-LYBHJNIJSA-N 0 0 481.017 4.722 40 0 JJABRN Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000013677046 555567872 /nfs/dbraw/zinc/56/78/72/555567872.db2.gz MCEKMWDTYIKUMS-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CSc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013677733 555568668 /nfs/dbraw/zinc/56/86/68/555568668.db2.gz HDTLEWFJHIIPIN-CQSZACIVSA-N 0 0 473.447 4.896 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013678104 555569199 /nfs/dbraw/zinc/56/91/99/555569199.db2.gz BUMLIMBPHVMXTB-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678210 555569478 /nfs/dbraw/zinc/56/94/78/555569478.db2.gz MCOKAWYLTQBWCZ-OAQYLSRUSA-N 0 0 477.369 4.730 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(C)(=O)=O ZINC000013678525 555569638 /nfs/dbraw/zinc/56/96/38/555569638.db2.gz DKJUHDMORZWCMA-UHFFFAOYSA-N 0 0 498.476 4.505 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000013678957 555570522 /nfs/dbraw/zinc/57/05/22/555570522.db2.gz MPFJCIKLOBAVCO-RUZDIDTESA-N 0 0 464.587 4.765 40 0 JJABRN CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679571 555571324 /nfs/dbraw/zinc/57/13/24/555571324.db2.gz GSTVCJNVENRITD-INIZCTEOSA-N 0 0 455.407 4.736 40 0 JJABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC ZINC000009972570 555572297 /nfs/dbraw/zinc/57/22/97/555572297.db2.gz GQDVACZMKQFJHY-CCOVPTLTSA-N 0 0 492.359 4.711 40 0 JJABRN O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000019962078 555573428 /nfs/dbraw/zinc/57/34/28/555573428.db2.gz ROQQFVSXGXQUFJ-OAQYLSRUSA-N 0 0 458.518 4.572 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013681188 555574060 /nfs/dbraw/zinc/57/40/60/555574060.db2.gz IFLKDCHKGANFBI-QGZVFWFLSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000019972850 555574707 /nfs/dbraw/zinc/57/47/07/555574707.db2.gz ZDUYVPZOBYISHX-VWLOTQADSA-N 0 0 482.588 4.963 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000013681718 555574974 /nfs/dbraw/zinc/57/49/74/555574974.db2.gz GQFYLQWEPJPBHL-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019973096 555575187 /nfs/dbraw/zinc/57/51/87/555575187.db2.gz QRAFVXYZCMZBIT-VWLOTQADSA-N 0 0 482.588 4.963 40 0 JJABRN Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)c(=O)[nH]c12 ZINC000019973095 555575246 /nfs/dbraw/zinc/57/52/46/555575246.db2.gz QRAFVXYZCMZBIT-RUZDIDTESA-N 0 0 482.588 4.963 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1C ZINC000009973778 555575291 /nfs/dbraw/zinc/57/52/91/555575291.db2.gz BPIUARVXOUWLMG-RUZDIDTESA-N 0 0 492.641 4.633 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009973839 555575521 /nfs/dbraw/zinc/57/55/21/555575521.db2.gz HIGUKEUBSRYSSX-GFCCVEGCSA-N 0 0 492.222 4.795 40 0 JJABRN COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1Cl ZINC000013682025 555575600 /nfs/dbraw/zinc/57/56/00/555575600.db2.gz AKDXTQAZEKQJHD-OAQYLSRUSA-N 0 0 493.368 4.597 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000013682460 555575891 /nfs/dbraw/zinc/57/58/91/555575891.db2.gz FQIGSMBATRAGAQ-UHFFFAOYSA-N 0 0 489.553 4.571 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974204 555577592 /nfs/dbraw/zinc/57/75/92/555577592.db2.gz SOOOEYWCDXLRPL-LBPRGKRZSA-N 0 0 492.222 4.795 40 0 JJABRN CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCc2ccccc2Cl)C(=O)N(C)C1=O ZINC000009974316 555578316 /nfs/dbraw/zinc/57/83/16/555578316.db2.gz RGYOSJRHLDXFBN-UHFFFAOYSA-N 0 0 450.347 4.601 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004685 555578335 /nfs/dbraw/zinc/57/83/35/555578335.db2.gz FHHVFQPUFVWVNZ-QFIPXVFZSA-N 0 0 487.021 4.802 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974418 555578897 /nfs/dbraw/zinc/57/88/97/555578897.db2.gz DTYYMISNNPFKQQ-ZDUSSCGKSA-N 0 0 491.329 4.507 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1C ZINC000009974540 555579391 /nfs/dbraw/zinc/57/93/91/555579391.db2.gz VULPAFRMWUJJHW-AWEZNQCLSA-N 0 0 490.931 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1Cl ZINC000009974678 555579849 /nfs/dbraw/zinc/57/98/49/555579849.db2.gz ZDDAABWTAHGKSU-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1Cl ZINC000009974716 555580194 /nfs/dbraw/zinc/58/01/94/555580194.db2.gz RUDWGFXGWLGIMW-KRWDZBQOSA-N 0 0 465.015 4.820 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(OC)c1OC ZINC000009975157 555580807 /nfs/dbraw/zinc/58/08/07/555580807.db2.gz MDVUXOISJUVHNO-OVCLIPMQSA-N 0 0 496.585 4.782 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020007097 555581615 /nfs/dbraw/zinc/58/16/15/555581615.db2.gz WDCUKQHWHUFTKE-HXUWFJFHSA-N 0 0 492.519 4.551 40 0 JJABRN CCCCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020008144 555582741 /nfs/dbraw/zinc/58/27/41/555582741.db2.gz RZXRQQLTDRCKCR-DEOSSOPVSA-N 0 0 454.567 4.697 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000020008828 555583621 /nfs/dbraw/zinc/58/36/21/555583621.db2.gz AYSBVZULTQUSDF-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000020009641 555585206 /nfs/dbraw/zinc/58/52/06/555585206.db2.gz VFZFOXFDQSOMBU-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000020009619 555585305 /nfs/dbraw/zinc/58/53/05/555585305.db2.gz FYSJJQUHSHININ-IBGZPJMESA-N 0 0 479.385 4.530 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccc(Cl)cc2)cc1 ZINC000020010622 555586455 /nfs/dbraw/zinc/58/64/55/555586455.db2.gz AKFHMRQBPOMXGI-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020010989 555587031 /nfs/dbraw/zinc/58/70/31/555587031.db2.gz IRRLXPSSEIHWDP-UHFFFAOYSA-N 0 0 484.446 4.813 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020012315 555588398 /nfs/dbraw/zinc/58/83/98/555588398.db2.gz YGZZPGSFCCCJIY-UHFFFAOYSA-N 0 0 484.446 4.813 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711354 555588776 /nfs/dbraw/zinc/58/87/76/555588776.db2.gz KZLZNGVHNQHEGA-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711396 555588846 /nfs/dbraw/zinc/58/88/46/555588846.db2.gz LYYGEVIMVKWBPV-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN Cc1ccccc1CN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012713 555588799 /nfs/dbraw/zinc/58/87/99/555588799.db2.gz MJBYNCMATBTXIQ-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020012771 555589110 /nfs/dbraw/zinc/58/91/10/555589110.db2.gz QYJZDWSJGAGCAZ-QFIPXVFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000020013350 555589390 /nfs/dbraw/zinc/58/93/90/555589390.db2.gz YLCJBHJYLCKILQ-HSZRJFAPSA-N 0 0 494.657 4.731 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712160 555589411 /nfs/dbraw/zinc/58/94/11/555589411.db2.gz XEKXTSUZIJKQHD-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712158 555589454 /nfs/dbraw/zinc/58/94/54/555589454.db2.gz KXVKIAZVGQWUEO-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712307 555589761 /nfs/dbraw/zinc/58/97/61/555589761.db2.gz GKVOUDYCMKEXRP-QGZVFWFLSA-N 0 0 459.793 4.594 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc(OCC)c1OCC ZINC000010002488 555590331 /nfs/dbraw/zinc/59/03/31/555590331.db2.gz VWNBCZYKJNSOAO-UHFFFAOYSA-N 0 0 476.017 4.930 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C2CCCCC2)cc1Cl ZINC000020014432 555590517 /nfs/dbraw/zinc/59/05/17/555590517.db2.gz YMSKHJPITVLKAQ-UHFFFAOYSA-N 0 0 472.941 4.589 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000020014326 555590532 /nfs/dbraw/zinc/59/05/32/555590532.db2.gz RKVNHKGIIQVXBB-UHFFFAOYSA-N 0 0 480.920 4.769 40 0 JJABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCO2 ZINC000010003816 555590795 /nfs/dbraw/zinc/59/07/95/555590795.db2.gz WWFKHRVXNVELTO-UHFFFAOYSA-N 0 0 467.890 4.709 40 0 JJABRN CCN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014749 555590791 /nfs/dbraw/zinc/59/07/91/555590791.db2.gz PALZZIOOIOTTJI-UHFFFAOYSA-N 0 0 473.275 4.801 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713422 555590894 /nfs/dbraw/zinc/59/08/94/555590894.db2.gz KAHZGLLKAFUFBY-DEOSSOPVSA-N 0 0 452.576 4.757 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1c(Cl)cccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713514 555591117 /nfs/dbraw/zinc/59/11/17/555591117.db2.gz KUFOSWBFMKYTJP-FQEVSTJZSA-N 0 0 489.490 4.896 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713704 555591149 /nfs/dbraw/zinc/59/11/49/555591149.db2.gz WCSUWDXTAURZQU-QGZVFWFLSA-N 0 0 459.793 4.594 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(SC)cc2)Cc2ccccc2)cc1 ZINC000020015571 555591681 /nfs/dbraw/zinc/59/16/81/555591681.db2.gz YRDJLZKJLVYAQR-FQEVSTJZSA-N 0 0 498.670 4.876 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1Cl ZINC000020015897 555591942 /nfs/dbraw/zinc/59/19/42/555591942.db2.gz PRHTYEIJYOZCOG-UHFFFAOYSA-N 0 0 494.947 4.847 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)c3)nn12 ZINC000010010222 555592001 /nfs/dbraw/zinc/59/20/01/555592001.db2.gz UJBFKDHMYHJSPO-UHFFFAOYSA-N 0 0 478.361 4.992 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714472 555592047 /nfs/dbraw/zinc/59/20/47/555592047.db2.gz OBQRDRYEVIWDKB-KRWDZBQOSA-N 0 0 459.793 4.594 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020016067 555592239 /nfs/dbraw/zinc/59/22/39/555592239.db2.gz JKHZYKHBSMYOPR-VIFPVBQESA-N 0 0 474.810 4.683 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4c(C)cc(C)cc4Cl)c3)nn12 ZINC000010010352 555592460 /nfs/dbraw/zinc/59/24/60/555592460.db2.gz QKRXSMSPTPIEAK-UHFFFAOYSA-N 0 0 471.970 4.712 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)nn12 ZINC000010010322 555592502 /nfs/dbraw/zinc/59/25/02/555592502.db2.gz SSPAAACZSBTFFV-UHFFFAOYSA-N 0 0 451.552 4.711 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000010010509 555592739 /nfs/dbraw/zinc/59/27/39/555592739.db2.gz OUICEQCUIHFLEO-UHFFFAOYSA-N 0 0 494.817 4.567 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)cc1C ZINC000020017393 555593135 /nfs/dbraw/zinc/59/31/35/555593135.db2.gz LRKPAMRYTIOVID-OAHLLOKOSA-N 0 0 488.503 4.591 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000020017421 555593141 /nfs/dbraw/zinc/59/31/41/555593141.db2.gz ACJLHUXKRNWURR-UHFFFAOYSA-N 0 0 494.894 4.546 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cccc(Br)c3)CC2)c(C)c1 ZINC000020018032 555593939 /nfs/dbraw/zinc/59/39/39/555593939.db2.gz BBYIUJKMJVVQHJ-SFHVURJKSA-N 0 0 493.467 4.652 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000020019896 555596315 /nfs/dbraw/zinc/59/63/15/555596315.db2.gz DUBKRFUZDPQBIG-MRXNPFEDSA-N 0 0 489.391 4.506 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1cc(F)ccc1F ZINC000020020896 555597894 /nfs/dbraw/zinc/59/78/94/555597894.db2.gz WBWNEIRKCUEXRC-UHFFFAOYSA-N 0 0 497.317 4.546 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020021713 555599112 /nfs/dbraw/zinc/59/91/12/555599112.db2.gz VITTYBCGNBTOAJ-UHFFFAOYSA-N 0 0 488.503 4.781 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000020022415 555599979 /nfs/dbraw/zinc/59/99/79/555599979.db2.gz FQCLPUHLLIKRPD-UHFFFAOYSA-N 0 0 466.893 4.745 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc1 ZINC000020022342 555600015 /nfs/dbraw/zinc/60/00/15/555600015.db2.gz HOMKSZLMTBCVFS-SFHVURJKSA-N 0 0 470.616 4.774 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(C)c2)cc1 ZINC000020022540 555600246 /nfs/dbraw/zinc/60/02/46/555600246.db2.gz LZVCQFVNLVWIEX-UHFFFAOYSA-N 0 0 494.491 4.629 40 0 JJABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000020023671 555601541 /nfs/dbraw/zinc/60/15/41/555601541.db2.gz RKHNTOBVGJBLEG-QGZVFWFLSA-N 0 0 493.467 4.870 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000020023825 555601776 /nfs/dbraw/zinc/60/17/76/555601776.db2.gz MTWCMNLOZCEEGJ-UXHICEINSA-N 0 0 466.603 4.545 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC ZINC000020024283 555602389 /nfs/dbraw/zinc/60/23/89/555602389.db2.gz WGSWWNABGOCBMZ-IBGZPJMESA-N 0 0 482.602 4.623 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000010039385 555604694 /nfs/dbraw/zinc/60/46/94/555604694.db2.gz FHVSACBQVQCMHD-FMIVXFBMSA-N 0 0 477.314 4.910 40 0 JJABRN COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013750849 555609458 /nfs/dbraw/zinc/60/94/58/555609458.db2.gz LAPBPRQUNKXYNB-FSSWDIPSSA-N 0 0 497.334 4.831 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020035381 555609876 /nfs/dbraw/zinc/60/98/76/555609876.db2.gz MZWFOILDAMYQGR-INIZCTEOSA-N 0 0 485.993 4.921 40 0 JJABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020035896 555610518 /nfs/dbraw/zinc/61/05/18/555610518.db2.gz DPTWUJCQUNYOKR-QFIPXVFZSA-N 0 0 481.445 4.729 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020035968 555610629 /nfs/dbraw/zinc/61/06/29/555610629.db2.gz RWTFXBQSNRBGNM-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020038305 555612058 /nfs/dbraw/zinc/61/20/58/555612058.db2.gz QXRLKHYDWOPYCT-KRWDZBQOSA-N 0 0 472.994 4.806 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)ccc1Cl ZINC000020039760 555613046 /nfs/dbraw/zinc/61/30/46/555613046.db2.gz DOLFMPODGWRZJP-UHFFFAOYSA-N 0 0 472.950 4.594 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)c(Cl)c2)cc1 ZINC000020042947 555614728 /nfs/dbraw/zinc/61/47/28/555614728.db2.gz NHSNHRLWEYBQFQ-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020044357 555615648 /nfs/dbraw/zinc/61/56/48/555615648.db2.gz IPJBXLVOOJTGDE-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020045293 555616262 /nfs/dbraw/zinc/61/62/62/555616262.db2.gz QYUCPHGRFATEIA-INIZCTEOSA-N 0 0 491.382 4.661 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020045994 555616872 /nfs/dbraw/zinc/61/68/72/555616872.db2.gz IDIBIVVRDUETED-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000013777711 555617128 /nfs/dbraw/zinc/61/71/28/555617128.db2.gz RMYQZKPQVRPYLQ-HJOGWXRNSA-N 0 0 478.932 4.717 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020046959 555617227 /nfs/dbraw/zinc/61/72/27/555617227.db2.gz PQKRVDBLMSPJMW-DEOSSOPVSA-N 0 0 466.603 4.775 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000010110205 555619596 /nfs/dbraw/zinc/61/95/96/555619596.db2.gz DRXYXRHNJGOVEP-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 ZINC000020050625 555619674 /nfs/dbraw/zinc/61/96/74/555619674.db2.gz YCFSELVDQGWYGX-UHFFFAOYSA-N 0 0 493.629 4.950 40 0 JJABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010110281 555619967 /nfs/dbraw/zinc/61/99/67/555619967.db2.gz WYSLPHICHMNQEA-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020051036 555620049 /nfs/dbraw/zinc/62/00/49/555620049.db2.gz CHQCCOHRSJHYEW-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000010110478 555620187 /nfs/dbraw/zinc/62/01/87/555620187.db2.gz RDDFIFUVIMVLNC-UHFFFAOYSA-N 0 0 464.631 4.941 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010110476 555620208 /nfs/dbraw/zinc/62/02/08/555620208.db2.gz MXZKMASPBHKPBK-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110430 555620230 /nfs/dbraw/zinc/62/02/30/555620230.db2.gz YZLKCZVGZVGUMS-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010110897 555621097 /nfs/dbraw/zinc/62/10/97/555621097.db2.gz SKWCTXJBBNJEES-UHFFFAOYSA-N 0 0 487.021 4.683 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010110784 555621121 /nfs/dbraw/zinc/62/11/21/555621121.db2.gz ZNGWNNJAMCDPHA-UHFFFAOYSA-N 0 0 474.985 4.732 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000010111957 555623875 /nfs/dbraw/zinc/62/38/75/555623875.db2.gz IEFNODHMXVGHKJ-AWEZNQCLSA-N 0 0 457.423 4.934 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000010112268 555625303 /nfs/dbraw/zinc/62/53/03/555625303.db2.gz WWZSMESCSVCTSL-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000010112409 555625685 /nfs/dbraw/zinc/62/56/85/555625685.db2.gz KEUBKIMDDUMEDY-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc(Br)c4)ccc32)cc1 ZINC000010119407 555630404 /nfs/dbraw/zinc/63/04/04/555630404.db2.gz HSHKYGXAINAOBJ-UHFFFAOYSA-N 0 0 471.376 4.761 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1OC ZINC000020085881 555631646 /nfs/dbraw/zinc/63/16/46/555631646.db2.gz WPDCTXLMRJDJRO-UHFFFAOYSA-N 0 0 498.645 4.576 40 0 JJABRN C[C@@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C)c1ccccc1 ZINC000013844371 555633230 /nfs/dbraw/zinc/63/32/30/555633230.db2.gz GIVSKHDLKUJZDM-CYBMUJFWSA-N 0 0 451.379 4.670 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000010128321 555633955 /nfs/dbraw/zinc/63/39/55/555633955.db2.gz DMXIRVWCOXFJCP-HXUWFJFHSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010128329 555634000 /nfs/dbraw/zinc/63/40/00/555634000.db2.gz JSOPMWGXHIIVDK-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128573 555634156 /nfs/dbraw/zinc/63/41/56/555634156.db2.gz IHOYQZITDVRBQD-QFIPXVFZSA-N 0 0 456.995 4.739 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000010131118 555635508 /nfs/dbraw/zinc/63/55/08/555635508.db2.gz SZQRDAOVBUUADC-CCNLRRDASA-N 0 0 481.014 4.965 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000020104600 555637156 /nfs/dbraw/zinc/63/71/56/555637156.db2.gz KNTZZQDIUSJSTJ-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2C)cc1 ZINC000020104777 555637423 /nfs/dbraw/zinc/63/74/23/555637423.db2.gz DMZRHUDXRHVAPF-UHFFFAOYSA-N 0 0 452.576 4.821 40 0 JJABRN CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000020104950 555637727 /nfs/dbraw/zinc/63/77/27/555637727.db2.gz GMHBFJMKVHAVRA-QHCPKHFHSA-N 0 0 463.043 4.785 40 0 JJABRN COc1ccc(-c2c(C(C)C)nn3c2nnc2c3C[C@H](c3ccc(OC)c(OC)c3)CC2=O)cc1 ZINC000010156976 555638182 /nfs/dbraw/zinc/63/81/82/555638182.db2.gz HCVXSISBBAITIH-SFHVURJKSA-N 0 0 472.545 4.853 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1Cl ZINC000020105680 555639286 /nfs/dbraw/zinc/63/92/86/555639286.db2.gz PSAJRJGGUWCMIE-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1OC ZINC000020106195 555640076 /nfs/dbraw/zinc/64/00/76/555640076.db2.gz NIJYKSRJWDYRDA-UHFFFAOYSA-N 0 0 493.006 4.889 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000020107476 555641234 /nfs/dbraw/zinc/64/12/34/555641234.db2.gz OHFCZYPKOTVKSR-INIZCTEOSA-N 0 0 472.588 4.624 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020108477 555643462 /nfs/dbraw/zinc/64/34/62/555643462.db2.gz JRJJELNPQSZMCE-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020108755 555643793 /nfs/dbraw/zinc/64/37/93/555643793.db2.gz GJYRKZPYPGZVRC-UHFFFAOYSA-N 0 0 483.977 4.516 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)ccc1Cl ZINC000020108930 555644377 /nfs/dbraw/zinc/64/43/77/555644377.db2.gz UWSFOQRDSYZFIX-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC ZINC000020110183 555646221 /nfs/dbraw/zinc/64/62/21/555646221.db2.gz ZNBVAJQJSZYMCV-IBGZPJMESA-N 0 0 482.602 4.921 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC ZINC000020110182 555646282 /nfs/dbraw/zinc/64/62/82/555646282.db2.gz ZNBVAJQJSZYMCV-LJQANCHMSA-N 0 0 482.602 4.921 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000020110487 555646547 /nfs/dbraw/zinc/64/65/47/555646547.db2.gz RPIGBXXFWGHJHQ-HNNXBMFYSA-N 0 0 460.552 4.754 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1OC ZINC000020110432 555646600 /nfs/dbraw/zinc/64/66/00/555646600.db2.gz OYSGKIJWTSLFSG-LJQANCHMSA-N 0 0 482.602 4.921 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000020110698 555646916 /nfs/dbraw/zinc/64/69/16/555646916.db2.gz ILFFEPZOMAPQSH-HXUWFJFHSA-N 0 0 496.629 4.900 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000020110748 555647157 /nfs/dbraw/zinc/64/71/57/555647157.db2.gz ZMXZJNMEHATXSM-UHFFFAOYSA-N 0 0 479.813 4.516 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc(C)cc2)OC1=O ZINC000013925330 555647852 /nfs/dbraw/zinc/64/78/52/555647852.db2.gz JNGYPIJNKQNAJB-NVNXTCNLSA-N 0 0 451.114 4.873 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1C ZINC000020111402 555648221 /nfs/dbraw/zinc/64/82/21/555648221.db2.gz IHIKKCMBIUQKFX-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2Cl)c1=O)CCN3c1ccc(Oc2ccccc2)cc1 ZINC000010249696 555660643 /nfs/dbraw/zinc/66/06/43/555660643.db2.gz ZHYOLVAJANZYCF-UHFFFAOYSA-N 0 0 499.958 4.542 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1ccc(CO)o1 ZINC000020152001 555669073 /nfs/dbraw/zinc/66/90/73/555669073.db2.gz VJUBYHQKJUTIHS-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020152928 555671034 /nfs/dbraw/zinc/67/10/34/555671034.db2.gz UPZVUOPZOPQRAK-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000010285527 555673502 /nfs/dbraw/zinc/67/35/02/555673502.db2.gz DEUXXNNKBDVVNI-UHFFFAOYSA-N 0 0 473.392 4.616 40 0 JJABRN COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000010285640 555673538 /nfs/dbraw/zinc/67/35/38/555673538.db2.gz FDJFYACQJVERJI-UHFFFAOYSA-N 0 0 458.967 4.515 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OCC)c2)c2ccc(C)cc2)cc1 ZINC000010294569 555674686 /nfs/dbraw/zinc/67/46/86/555674686.db2.gz RYDHHVCBOBMULJ-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010294620 555675027 /nfs/dbraw/zinc/67/50/27/555675027.db2.gz LMRWBFAZVGNFTP-GOSISDBHSA-N 0 0 454.548 4.671 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(C)c(Cl)c1 ZINC000010299752 555676640 /nfs/dbraw/zinc/67/66/40/555676640.db2.gz SMVZYCIVYCNMQD-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000010300623 555677630 /nfs/dbraw/zinc/67/76/30/555677630.db2.gz JJILFMROTPIZOO-UHFFFAOYSA-N 0 0 482.602 4.799 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)Cc2ccccc2)cc1C ZINC000010301648 555678354 /nfs/dbraw/zinc/67/83/54/555678354.db2.gz FEIVHMUTVIBMNE-UHFFFAOYSA-N 0 0 482.602 4.540 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010315008 555681350 /nfs/dbraw/zinc/68/13/50/555681350.db2.gz FIFULETYRMRUBF-UHFFFAOYSA-N 0 0 479.602 4.886 40 0 JJABRN O=C(NCCSCc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314929 555681354 /nfs/dbraw/zinc/68/13/54/555681354.db2.gz GKHRPWDFLUQLMR-UHFFFAOYSA-N 0 0 461.008 4.804 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccccc3C)c2)cc1 ZINC000010315059 555681656 /nfs/dbraw/zinc/68/16/56/555681656.db2.gz OVOBWMZABZPUGQ-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(OC)cc1 ZINC000014083019 555682144 /nfs/dbraw/zinc/68/21/44/555682144.db2.gz CZKDTUAGOJFARS-UHFFFAOYSA-N 0 0 451.577 4.828 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)Nc3cccc(Br)c3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325338 555683999 /nfs/dbraw/zinc/68/39/99/555683999.db2.gz PZOZCEMRLMJFET-OAHLLOKOSA-N 0 0 471.376 4.841 40 0 JJABRN COc1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 ZINC000010332805 555688558 /nfs/dbraw/zinc/68/85/58/555688558.db2.gz LAWUSIPYYLDLDP-UHFFFAOYSA-N 0 0 493.412 4.898 40 0 JJABRN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010334697 555689761 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40 0 JJABRN Cc1ccc(CSCCNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000010338210 555692636 /nfs/dbraw/zinc/69/26/36/555692636.db2.gz GCBBXQZOKJKTHT-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1C ZINC000010358461 555695807 /nfs/dbraw/zinc/69/58/07/555695807.db2.gz HEGVYBRMANRUMP-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1Cl ZINC000010363898 555697281 /nfs/dbraw/zinc/69/72/81/555697281.db2.gz FRYJGGSTGAKUJJ-UHFFFAOYSA-N 0 0 489.819 4.604 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000010364956 555697673 /nfs/dbraw/zinc/69/76/73/555697673.db2.gz JEVYERVIAXVBRO-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010367840 555698521 /nfs/dbraw/zinc/69/85/21/555698521.db2.gz KIDLJQBINZRLLH-UHFFFAOYSA-N 0 0 472.607 4.622 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)S(C)(=O)=O)c1 ZINC000010369197 555699063 /nfs/dbraw/zinc/69/90/63/555699063.db2.gz UKUDNXXPIINDNP-UHFFFAOYSA-N 0 0 473.392 4.976 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000010371072 555699703 /nfs/dbraw/zinc/69/97/03/555699703.db2.gz NWWQOTNVALVYSL-SNVBAGLBSA-N 0 0 485.311 4.814 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010371750 555700058 /nfs/dbraw/zinc/70/00/58/555700058.db2.gz MZYKPBJPMSVBAT-LJQANCHMSA-N 0 0 487.021 4.732 40 0 JJABRN CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014152661 555708446 /nfs/dbraw/zinc/70/84/46/555708446.db2.gz JNAGYTQPPMSOAC-UHFFFAOYSA-N 0 0 454.449 4.766 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010434093 555708831 /nfs/dbraw/zinc/70/88/31/555708831.db2.gz UYQUSDDHQVGMOJ-MRXNPFEDSA-N 0 0 458.967 4.809 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cccc(Cl)c2Cl)cc1 ZINC000014153614 555709699 /nfs/dbraw/zinc/70/96/99/555709699.db2.gz PARNUQNCHRSVLE-UHFFFAOYSA-N 0 0 455.407 4.900 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010440941 555710846 /nfs/dbraw/zinc/71/08/46/555710846.db2.gz ORTAOVIADWGPEH-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010444459 555712324 /nfs/dbraw/zinc/71/23/24/555712324.db2.gz OZDBEJDBYVOAPR-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010444473 555712362 /nfs/dbraw/zinc/71/23/62/555712362.db2.gz CLZZKJAPEYKBIQ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000014154869 555712546 /nfs/dbraw/zinc/71/25/46/555712546.db2.gz LSILUNRIGHJNGH-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446629 555713292 /nfs/dbraw/zinc/71/32/92/555713292.db2.gz KFLHRZKQZXDMOK-UHFFFAOYSA-N 0 0 494.613 4.877 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010446484 555713348 /nfs/dbraw/zinc/71/33/48/555713348.db2.gz ADRGNZHAJGLWFL-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(Cl)cc2C)cc1 ZINC000010449121 555715053 /nfs/dbraw/zinc/71/50/53/555715053.db2.gz AKUIBUUDSBKYLW-UHFFFAOYSA-N 0 0 454.979 4.741 40 0 JJABRN CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010449211 555715064 /nfs/dbraw/zinc/71/50/64/555715064.db2.gz KWLBBUVYPZBHAC-UHFFFAOYSA-N 0 0 470.978 4.523 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(Br)cc2)cc1 ZINC000010449518 555715337 /nfs/dbraw/zinc/71/53/37/555715337.db2.gz SYXBDWFXTIWHSY-UHFFFAOYSA-N 0 0 499.430 4.932 40 0 JJABRN COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000010449531 555715340 /nfs/dbraw/zinc/71/53/40/555715340.db2.gz OUJXFWOZECSXSW-UHFFFAOYSA-N 0 0 485.005 4.832 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 ZINC000010449620 555715684 /nfs/dbraw/zinc/71/56/84/555715684.db2.gz LGMDQVSMSVPFQM-UHFFFAOYSA-N 0 0 454.979 4.899 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000010449692 555715699 /nfs/dbraw/zinc/71/56/99/555715699.db2.gz JTWFOSYKWQOMKA-QGZVFWFLSA-N 0 0 485.403 4.622 40 0 JJABRN C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010449829 555716216 /nfs/dbraw/zinc/71/62/16/555716216.db2.gz RHLYDKHUMTXUIF-RBUKOAKNSA-N 0 0 450.560 4.611 40 0 JJABRN C[C@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020233776 555724884 /nfs/dbraw/zinc/72/48/84/555724884.db2.gz TWKJLSXAHDQLBY-KRWDZBQOSA-N 0 0 473.392 4.522 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020233910 555725213 /nfs/dbraw/zinc/72/52/13/555725213.db2.gz NQUFIVNNSUVHPE-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000020234440 555726203 /nfs/dbraw/zinc/72/62/03/555726203.db2.gz KLBWFROZIWZVFD-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020235825 555728817 /nfs/dbraw/zinc/72/88/17/555728817.db2.gz UFPMGASKIJKYMI-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2cc(Cl)ccc2C)cc1 ZINC000020236367 555729701 /nfs/dbraw/zinc/72/97/01/555729701.db2.gz IPOWLSSFDOQTRD-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236370 555729713 /nfs/dbraw/zinc/72/97/13/555729713.db2.gz QKVWSZHBAGEBEO-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN Cc1ccc2nc(-c3ccc(NC(=O)CN(c4ccccc4)S(C)(=O)=O)cc3)sc2c1 ZINC000020236596 555730209 /nfs/dbraw/zinc/73/02/09/555730209.db2.gz HCXICUBYJDFAFQ-UHFFFAOYSA-N 0 0 451.573 4.676 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000020236977 555730801 /nfs/dbraw/zinc/73/08/01/555730801.db2.gz NAYPHRZNPGFDSP-UHFFFAOYSA-N 0 0 485.709 4.526 40 0 JJABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(I)c1 ZINC000010672652 555731631 /nfs/dbraw/zinc/73/16/31/555731631.db2.gz AWMJTOYCAIDRQY-UHFFFAOYSA-N 0 0 471.707 4.725 40 0 JJABRN Cc1ccc(CSCCNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020237617 555731866 /nfs/dbraw/zinc/73/18/66/555731866.db2.gz KEWUMLZXOPVINH-UHFFFAOYSA-N 0 0 484.643 4.603 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691768 555732916 /nfs/dbraw/zinc/73/29/16/555732916.db2.gz ZKSAYRBXNAIRTP-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000010692286 555733156 /nfs/dbraw/zinc/73/31/56/555733156.db2.gz VJANOZWUEBZECL-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010692088 555733173 /nfs/dbraw/zinc/73/31/73/555733173.db2.gz UUEPRTCWKJYGPC-UHFFFAOYSA-N 0 0 461.455 4.764 40 0 JJABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010692452 555733554 /nfs/dbraw/zinc/73/35/54/555733554.db2.gz GZNXCTWQAQMDTA-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000010693081 555733724 /nfs/dbraw/zinc/73/37/24/555733724.db2.gz JYNCPJRXSVGXEQ-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020244293 555740427 /nfs/dbraw/zinc/74/04/27/555740427.db2.gz SRVNPRRDRBSKNM-LJAQVGFWSA-N 0 0 499.636 4.992 40 0 JJABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 ZINC000020245679 555741194 /nfs/dbraw/zinc/74/11/94/555741194.db2.gz DLUHWZYZVXOICR-UHFFFAOYSA-N 0 0 469.632 4.782 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000020249186 555743382 /nfs/dbraw/zinc/74/33/82/555743382.db2.gz SHBACNISNOEGTA-HSZRJFAPSA-N 0 0 477.948 4.757 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)N2CCc2cccs2)cc1 ZINC000020249192 555743479 /nfs/dbraw/zinc/74/34/79/555743479.db2.gz 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COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)c(C)c1 ZINC000014269671 555759787 /nfs/dbraw/zinc/75/97/87/555759787.db2.gz VETWMRCFESTXLM-UHFFFAOYSA-N 0 0 472.202 4.964 40 0 JJABRN COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000011117391 555760451 /nfs/dbraw/zinc/76/04/51/555760451.db2.gz LBHWQGQVBFHAAS-WOJBJXKFSA-N 0 0 458.381 4.965 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c(F)c1F ZINC000014270048 555760913 /nfs/dbraw/zinc/76/09/13/555760913.db2.gz FZWUULPGLGRCFF-UHFFFAOYSA-N 0 0 461.868 4.632 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 ZINC000014270781 555763863 /nfs/dbraw/zinc/76/38/63/555763863.db2.gz GNDJHDFQEOTDMG-UHFFFAOYSA-N 0 0 454.346 4.642 40 0 JJABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000014270988 555764343 /nfs/dbraw/zinc/76/43/43/555764343.db2.gz BQZNHEMCVUMFHL-FMIVXFBMSA-N 0 0 463.950 4.609 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 ZINC000014271196 555765489 /nfs/dbraw/zinc/76/54/89/555765489.db2.gz DUZOKWXUMQWTIV-UHFFFAOYSA-N 0 0 469.950 4.736 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c(F)c1F ZINC000014271349 555765988 /nfs/dbraw/zinc/76/59/88/555765988.db2.gz OWIVFCJNJDXIAM-UHFFFAOYSA-N 0 0 455.477 4.615 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c(C)c3)nn12 ZINC000014271409 555766063 /nfs/dbraw/zinc/76/60/63/555766063.db2.gz ARPBXWVAHCCAFQ-BJMVGYQFSA-N 0 0 468.995 4.649 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014271564 555766647 /nfs/dbraw/zinc/76/66/47/555766647.db2.gz WNDQMOKGUHISNO-AWEZNQCLSA-N 0 0 459.637 4.524 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)nnc1-c1cccs1 ZINC000011208840 555766729 /nfs/dbraw/zinc/76/67/29/555766729.db2.gz QCBDRMQOUHIANR-UHFFFAOYSA-N 0 0 453.549 4.603 40 0 JJABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000014271583 555766966 /nfs/dbraw/zinc/76/69/66/555766966.db2.gz QIMPSWYCJQCXGS-CUXKMMBLSA-N 0 0 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ZINC000014274472 555776673 /nfs/dbraw/zinc/77/66/73/555776673.db2.gz PVPBHDPTPFKWJD-UHFFFAOYSA-N 0 0 480.409 4.901 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000020338770 555777598 /nfs/dbraw/zinc/77/75/98/555777598.db2.gz WJAAWQNJGFTJGP-LJQANCHMSA-N 0 0 468.575 4.909 40 0 JJABRN Cc1cc(Br)c(NC(=O)C(=S)NCCc2ccccc2)c(Br)c1 ZINC000020344336 555778236 /nfs/dbraw/zinc/77/82/36/555778236.db2.gz JOTNVQHBDMXTFQ-UHFFFAOYSA-N 0 0 456.203 4.618 40 0 JJABRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3O)oc2c(C)c1 ZINC000014275163 555779807 /nfs/dbraw/zinc/77/98/07/555779807.db2.gz NYEJGXVJFPMMGW-UHFFFAOYSA-N 0 0 475.526 4.715 40 0 JJABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1Br ZINC000014275859 555782004 /nfs/dbraw/zinc/78/20/04/555782004.db2.gz YZTGDPCKFXAVFK-UHFFFAOYSA-N 0 0 484.354 4.757 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000014276388 555783382 /nfs/dbraw/zinc/78/33/82/555783382.db2.gz QQHSVFLCTFWWGE-UHFFFAOYSA-N 0 0 484.610 4.806 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1Cl ZINC000014276594 555784194 /nfs/dbraw/zinc/78/41/94/555784194.db2.gz YBAPDXRBBVANCX-UHFFFAOYSA-N 0 0 493.032 4.738 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000014276774 555784472 /nfs/dbraw/zinc/78/44/72/555784472.db2.gz BJBMKIAJJQLXFH-UHFFFAOYSA-N 0 0 479.433 4.569 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000014276983 555784857 /nfs/dbraw/zinc/78/48/57/555784857.db2.gz KKQQNDCBQIQGOP-UHFFFAOYSA-N 0 0 496.995 4.568 40 0 JJABRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(I)c3)c2C(N)=O)C1 ZINC000014279092 555790213 /nfs/dbraw/zinc/79/02/13/555790213.db2.gz VEPPGBBTYPXROP-GFCCVEGCSA-N 0 0 482.387 4.855 40 0 JJABRN CCOC(=O)c1sc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(C(=O)OCC)c1C ZINC000014279053 555790230 /nfs/dbraw/zinc/79/02/30/555790230.db2.gz PBKKTBOJKGDBSO-JXMROGBWSA-N 0 0 496.379 4.833 40 0 JJABRN Cc1ccccc1N1CCN(S(=O)(=O)c2cc(C(C)(C)C)c(Br)cc2C)CC1 ZINC000011613873 555790388 /nfs/dbraw/zinc/79/03/88/555790388.db2.gz MZIGZLWIOOIHRQ-UHFFFAOYSA-N 0 0 465.457 4.874 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014279192 555790557 /nfs/dbraw/zinc/79/05/57/555790557.db2.gz JFIZNIMRWCYJJN-UHFFFAOYSA-N 0 0 477.992 4.882 40 0 JJABRN COc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 ZINC000014291133 555792251 /nfs/dbraw/zinc/79/22/51/555792251.db2.gz GEWSLQIPGPMDOT-UHFFFAOYSA-N 0 0 494.817 4.668 40 0 JJABRN COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000014291288 555793147 /nfs/dbraw/zinc/79/31/47/555793147.db2.gz URDHHUDUVCEBOA-UHFFFAOYSA-N 0 0 455.543 4.940 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4Cl)cc3)CC2)cc1 ZINC000020528918 555793573 /nfs/dbraw/zinc/79/35/73/555793573.db2.gz FVOPFDRVJIJXBF-UHFFFAOYSA-N 0 0 477.992 4.882 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000014357043 555796460 /nfs/dbraw/zinc/79/64/60/555796460.db2.gz MAEPTUXHCRVIKL-UHFFFAOYSA-N 0 0 466.603 4.962 40 0 JJABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000014357088 555796464 /nfs/dbraw/zinc/79/64/64/555796464.db2.gz ZWMYQGZCAUZZKP-UHFFFAOYSA-N 0 0 452.576 4.708 40 0 JJABRN O=S(=O)(c1ccc(Br)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020530713 555798209 /nfs/dbraw/zinc/79/82/09/555798209.db2.gz YJEJUZPVEVAWNQ-UHFFFAOYSA-N 0 0 469.404 4.525 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1 ZINC000014388166 555801653 /nfs/dbraw/zinc/80/16/53/555801653.db2.gz NEIXIJZXMVMJRT-KRWDZBQOSA-N 0 0 456.995 4.771 40 0 JJABRN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014396458 555802254 /nfs/dbraw/zinc/80/22/54/555802254.db2.gz SAEJMZSMXDYVIW-UHFFFAOYSA-N 0 0 450.988 4.702 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCSC1CCCCC1)c1cc(Cl)ccc1Cl ZINC000014397702 555803231 /nfs/dbraw/zinc/80/32/31/555803231.db2.gz HKTPQLYSPHFZJJ-UHFFFAOYSA-N 0 0 467.484 4.722 40 0 JJABRN Cc1cccc(N2CCN(C(=O)CCCN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)CC2)c1C ZINC000014399844 555805169 /nfs/dbraw/zinc/80/51/69/555805169.db2.gz WQCIDSPZZJNQKT-UHFFFAOYSA-N 0 0 498.476 4.505 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000014400627 555806167 /nfs/dbraw/zinc/80/61/67/555806167.db2.gz UEPYQCMQNCFEMW-HSZRJFAPSA-N 0 0 454.548 4.601 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000014401738 555806742 /nfs/dbraw/zinc/80/67/42/555806742.db2.gz OLEGUJNWADTJQG-UHFFFAOYSA-N 0 0 453.750 4.971 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000014412627 555811721 /nfs/dbraw/zinc/81/17/21/555811721.db2.gz MODBNPOEJBEUMI-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414634 555813527 /nfs/dbraw/zinc/81/35/27/555813527.db2.gz NXQUFVJADAFJLC-UHFFFAOYSA-N 0 0 463.043 4.859 40 0 JJABRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccccc1NCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000020568362 555821739 /nfs/dbraw/zinc/82/17/39/555821739.db2.gz SMANZVMDZRGEGA-VKGTZQKMSA-N 0 0 459.590 4.826 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000020568946 555822616 /nfs/dbraw/zinc/82/26/16/555822616.db2.gz FBOLIIJDGHMUGX-GOOXQAOHSA-N 0 0 485.996 4.527 40 0 JJABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000020572790 555824554 /nfs/dbraw/zinc/82/45/54/555824554.db2.gz ODOKXQYPYMAPJM-UHFFFAOYSA-N 0 0 468.531 4.840 40 0 JJABRN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000014608035 555836483 /nfs/dbraw/zinc/83/64/83/555836483.db2.gz CPPZMUWCQVYAIA-DEOSSOPVSA-N 0 0 457.486 4.782 40 0 JJABRN C/C=C\Cn1c(-c2ccc(Br)cc2)cs/c1=N\S(=O)(=O)c1cccs1 ZINC000011859639 555839185 /nfs/dbraw/zinc/83/91/85/555839185.db2.gz ZFHBDAXLJNZEHL-ZLMWRVFCSA-N 0 0 455.424 4.906 40 0 JJABRN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000021898604 555857121 /nfs/dbraw/zinc/85/71/21/555857121.db2.gz UZEWBMOCQHPYCC-UHFFFAOYSA-N 0 0 481.640 4.781 40 0 JJABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1C ZINC000021965903 555858245 /nfs/dbraw/zinc/85/82/45/555858245.db2.gz CZEWUETZKDKKHE-AWEZNQCLSA-N 0 0 468.859 4.510 40 0 JJABRN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000015022169 555864089 /nfs/dbraw/zinc/86/40/89/555864089.db2.gz MYNYSEUTTLCYRK-XMMPIXPASA-N 0 0 493.604 4.583 40 0 JJABRN CC(=O)O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000022047704 555866307 /nfs/dbraw/zinc/86/63/07/555866307.db2.gz CPWPSDGLXXKBKZ-JUDWXZBOSA-N 0 0 462.542 4.662 40 0 JJABRN CCOc1cc(CNn2cn[nH]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022111805 555878865 /nfs/dbraw/zinc/87/88/65/555878865.db2.gz LGMHHCYABDHHRM-UHFFFAOYSA-N 0 0 453.337 4.564 40 0 JJABRN COc1cc(CNn2cnnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000022111581 555878917 /nfs/dbraw/zinc/87/89/17/555878917.db2.gz GNPHSEPZYYYXEL-UHFFFAOYSA-N 0 0 458.143 4.679 40 0 JJABRN COc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022112310 555879149 /nfs/dbraw/zinc/87/91/49/555879149.db2.gz LSUWIIZDMGWQFS-UHFFFAOYSA-N 0 0 469.792 4.996 40 0 JJABRN COc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccccc1Cl ZINC000022112314 555879159 /nfs/dbraw/zinc/87/91/59/555879159.db2.gz UIODQWLEJIROCO-UHFFFAOYSA-N 0 0 469.792 4.996 40 0 JJABRN CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccc(F)cc1 ZINC000022112371 555879171 /nfs/dbraw/zinc/87/91/71/555879171.db2.gz YEPJXEVUBPDFQM-UHFFFAOYSA-N 0 0 467.364 4.872 40 0 JJABRN CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1ccccc1F ZINC000022112379 555879194 /nfs/dbraw/zinc/87/91/94/555879194.db2.gz RILRHIRWMYFDEA-UHFFFAOYSA-N 0 0 467.364 4.872 40 0 JJABRN CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccncc1 ZINC000015230518 555889254 /nfs/dbraw/zinc/88/92/54/555889254.db2.gz IFQGFQASHUIWOW-UHFFFAOYSA-N 0 0 459.531 4.999 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000022230762 555889399 /nfs/dbraw/zinc/88/93/99/555889399.db2.gz MGFZYMJOMFKKAO-UHFFFAOYSA-N 0 0 460.939 4.546 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022231146 555889698 /nfs/dbraw/zinc/88/96/98/555889698.db2.gz PCSXNSOWKYRVHT-UHFFFAOYSA-N 0 0 478.492 4.689 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231643 555890257 /nfs/dbraw/zinc/89/02/57/555890257.db2.gz JFZVMJRNVDIICV-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231594 555890298 /nfs/dbraw/zinc/89/02/98/555890298.db2.gz HDCBKCQMXMJJQR-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231859 555890895 /nfs/dbraw/zinc/89/08/95/555890895.db2.gz WURJEMOZZUKQEZ-UHFFFAOYSA-N 0 0 466.603 4.904 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000022232417 555891604 /nfs/dbraw/zinc/89/16/04/555891604.db2.gz RKBUWGXHEXMXAZ-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022232637 555892110 /nfs/dbraw/zinc/89/21/10/555892110.db2.gz JITPCUNMFPCODY-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232803 555892500 /nfs/dbraw/zinc/89/25/00/555892500.db2.gz SIMQTADXRFVEEM-UHFFFAOYSA-N 0 0 484.593 4.934 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000022232982 555892772 /nfs/dbraw/zinc/89/27/72/555892772.db2.gz FEFMNBQPIHWSDU-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000022233115 555893063 /nfs/dbraw/zinc/89/30/63/555893063.db2.gz VKJHSWGSMIQEMR-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015306063 555895010 /nfs/dbraw/zinc/89/50/10/555895010.db2.gz DMMRFDQKZYZMIO-UHFFFAOYSA-N 0 0 456.589 4.560 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000015315051 555896332 /nfs/dbraw/zinc/89/63/32/555896332.db2.gz WQVGDFCOVROFCT-UHFFFAOYSA-N 0 0 479.602 4.520 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N(CC)CC)cc1 ZINC000022248954 555899181 /nfs/dbraw/zinc/89/91/81/555899181.db2.gz NMCTWPSVSFPNKQ-UHFFFAOYSA-N 0 0 453.004 4.731 40 0 JJABRN CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000022256631 555904675 /nfs/dbraw/zinc/90/46/75/555904675.db2.gz QMZYZDGLFAUBCF-UHFFFAOYSA-N 0 0 456.351 4.653 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000022268359 555907312 /nfs/dbraw/zinc/90/73/12/555907312.db2.gz WZUGUWXDKHSLAJ-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1C ZINC000022268634 555907798 /nfs/dbraw/zinc/90/77/98/555907798.db2.gz XHCZSCQQMBLVAK-DEOSSOPVSA-N 0 0 480.630 4.847 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000022269464 555908319 /nfs/dbraw/zinc/90/83/19/555908319.db2.gz PETFZAOGBHGFIP-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000022271368 555909197 /nfs/dbraw/zinc/90/91/97/555909197.db2.gz AJWHEJAKARWJEG-VWLOTQADSA-N 0 0 466.603 4.737 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc3ccccc32)cc1 ZINC000022271374 555909242 /nfs/dbraw/zinc/90/92/42/555909242.db2.gz SMPUCGWQWYOQBB-SANMLTNESA-N 0 0 474.582 4.767 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022271484 555909280 /nfs/dbraw/zinc/90/92/80/555909280.db2.gz IFHCYWIYYQHBGI-QFIPXVFZSA-N 0 0 493.412 4.920 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274072 555910662 /nfs/dbraw/zinc/91/06/62/555910662.db2.gz LCWXUEPHDUKWQN-UHFFFAOYSA-N 0 0 473.392 4.846 40 0 JJABRN Cc1cccc(C)c1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274302 555910940 /nfs/dbraw/zinc/91/09/40/555910940.db2.gz JWNBAHZQIBDBNK-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274735 555911532 /nfs/dbraw/zinc/91/15/32/555911532.db2.gz UPXUXEDBNQNBBN-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN CN(Cc1ccccc1)C(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274573 555911584 /nfs/dbraw/zinc/91/15/84/555911584.db2.gz MBOJZVNDFAMCSY-UHFFFAOYSA-N 0 0 463.386 4.847 40 0 JJABRN Cc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276392 555913705 /nfs/dbraw/zinc/91/37/05/555913705.db2.gz HKOLHIVSRUZNJO-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276586 555914026 /nfs/dbraw/zinc/91/40/26/555914026.db2.gz KWXGUXQPOWBRBS-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022277002 555914668 /nfs/dbraw/zinc/91/46/68/555914668.db2.gz NKSMURSKCHPKDA-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277223 555914876 /nfs/dbraw/zinc/91/48/76/555914876.db2.gz FDUUYDPONITEHE-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022277514 555915108 /nfs/dbraw/zinc/91/51/08/555915108.db2.gz MXMZCFZQAVJBJW-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(Cl)cc2C)cc1 ZINC000022277433 555915211 /nfs/dbraw/zinc/91/52/11/555915211.db2.gz BTTUJQPMIYWNQG-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(Cl)c2C)cc1 ZINC000022277733 555915473 /nfs/dbraw/zinc/91/54/73/555915473.db2.gz YCAKTVUGDKMKHC-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022303825 555919121 /nfs/dbraw/zinc/91/91/21/555919121.db2.gz ZUYWXZHRPADKJI-QFIPXVFZSA-N 0 0 472.994 4.811 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022304959 555919483 /nfs/dbraw/zinc/91/94/83/555919483.db2.gz UZQIVRBOEMBULL-QHCPKHFHSA-N 0 0 499.430 4.838 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022317012 555921031 /nfs/dbraw/zinc/92/10/31/555921031.db2.gz NVTHIHZSYWJSIC-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022324887 555921484 /nfs/dbraw/zinc/92/14/84/555921484.db2.gz YNPXAMNPJCRRHZ-DEOSSOPVSA-N 0 0 496.629 4.783 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000022324849 555921502 /nfs/dbraw/zinc/92/15/02/555921502.db2.gz QZLHCKCZUKZVSU-DEOSSOPVSA-N 0 0 478.614 4.701 40 0 JJABRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000015653668 555922204 /nfs/dbraw/zinc/92/22/04/555922204.db2.gz VTYOPTPAMUISMU-UHFFFAOYSA-N 0 0 456.877 4.987 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022365451 555926279 /nfs/dbraw/zinc/92/62/79/555926279.db2.gz ZUIVXVJYWYXOHQ-ZDUSSCGKSA-N 0 0 463.814 4.907 40 0 JJABRN O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022373956 555927181 /nfs/dbraw/zinc/92/71/81/555927181.db2.gz FBEGKWWSUKXQLV-QHCPKHFHSA-N 0 0 472.969 4.868 40 0 JJABRN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022522884 555930984 /nfs/dbraw/zinc/93/09/84/555930984.db2.gz XUQLGEVJLZRHDQ-UHFFFAOYSA-N 0 0 469.434 4.502 40 0 JJABRN O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675774 555934661 /nfs/dbraw/zinc/93/46/61/555934661.db2.gz IOKNCXCHGBJBQO-SFHVURJKSA-N 0 0 472.402 4.949 40 0 biogenic,in-vitro JJABRN Cc1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c(C)cc1I ZINC000022565894 555936144 /nfs/dbraw/zinc/93/61/44/555936144.db2.gz BIIMBJMJLZHGFL-UHFFFAOYSA-N 0 0 458.752 4.617 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000022571004 555937411 /nfs/dbraw/zinc/93/74/11/555937411.db2.gz HZVLQEPLCDAOLK-UHFFFAOYSA-N 0 0 462.600 4.703 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000022705243 555942857 /nfs/dbraw/zinc/94/28/57/555942857.db2.gz YLOUNYMNFJWLAN-UHFFFAOYSA-N 0 0 469.335 4.633 40 0 JJABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000022709538 555945349 /nfs/dbraw/zinc/94/53/49/555945349.db2.gz HWJHHOMIFPLLJZ-UHFFFAOYSA-N 0 0 473.554 4.649 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1Cl ZINC000022710999 555945755 /nfs/dbraw/zinc/94/57/55/555945755.db2.gz WDBIFCVLGLDDHB-UHFFFAOYSA-N 0 0 474.751 4.697 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@@]23c2cc(CC)cc4c2N(C3=O)C(C)(C)C=C4C)cc1 ZINC000022712909 555946626 /nfs/dbraw/zinc/94/66/26/555946626.db2.gz LTRCQQSXSGJZPW-HHHXNRCGSA-N 0 0 476.598 4.901 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)c1 ZINC000022713859 555946846 /nfs/dbraw/zinc/94/68/46/555946846.db2.gz HVLVJERZFLOSAV-UHFFFAOYSA-N 0 0 477.586 4.769 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(Br)c1 ZINC000022715711 555947495 /nfs/dbraw/zinc/94/74/95/555947495.db2.gz IRBFKQZSRXZSCA-UHFFFAOYSA-N 0 0 479.330 4.884 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000022718461 555947945 /nfs/dbraw/zinc/94/79/45/555947945.db2.gz JYLAXQPHPDAGGO-UHFFFAOYSA-N 0 0 481.533 4.776 40 0 JJABRN Cc1nc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1I ZINC000022738945 555948480 /nfs/dbraw/zinc/94/84/80/555948480.db2.gz VYSMCGKAXKHMJQ-UHFFFAOYSA-N 0 0 481.746 4.928 40 0 JJABRN COc1cc(CN(C(=O)COc2cc(C)ccc2C(C)C)C2CCCCC2)ccc1OCC(N)=O ZINC000022739939 555949015 /nfs/dbraw/zinc/94/90/15/555949015.db2.gz KHHFKIVAJHGTPK-UHFFFAOYSA-N 0 0 482.621 4.731 40 0 JJABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1 ZINC000022744707 555950390 /nfs/dbraw/zinc/95/03/90/555950390.db2.gz KSLKLGHNRYKLIV-UHFFFAOYSA-N 0 0 486.663 4.996 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)CC2)cc1 ZINC000022744656 555950429 /nfs/dbraw/zinc/95/04/29/555950429.db2.gz XKVDSBFLSRNONF-UHFFFAOYSA-N 0 0 486.641 4.701 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022931288 555984536 /nfs/dbraw/zinc/98/45/36/555984536.db2.gz GYZGRAFXDIPMPN-UHFFFAOYSA-N 0 0 453.508 4.758 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000012493350 555989535 /nfs/dbraw/zinc/98/95/35/555989535.db2.gz JWCLVSOAKMJSHQ-OMCISZLKSA-N 0 0 482.558 4.555 40 0 JJABRN CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000023292162 556037874 /nfs/dbraw/zinc/03/78/74/556037874.db2.gz VIQIXSZJUDRTPS-VWLOTQADSA-N 0 0 479.646 4.917 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccco3)sc2=N1 ZINC000015932295 556071375 /nfs/dbraw/zinc/07/13/75/556071375.db2.gz PFVYDAPNJUDYDQ-OWXSRONMSA-N 0 0 483.593 4.590 40 0 JJABRN O=C(Nc1ccc(Br)cc1Br)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023659490 556082678 /nfs/dbraw/zinc/08/26/78/556082678.db2.gz MLEIVQXHRHDJRY-JTQLQIEISA-N 0 0 472.564 4.857 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000015950155 556086514 /nfs/dbraw/zinc/08/65/14/556086514.db2.gz MWBNISRWNGLPRQ-UHFFFAOYSA-N 0 0 460.405 4.503 40 0 JJABRN COc1ccccc1Cn1c2nnc(S[C@@H](C)C(=O)c3ccc(C)cc3)n2c2ccccc2c1=O ZINC000012591494 556087588 /nfs/dbraw/zinc/08/75/88/556087588.db2.gz ZPZCVABVJHZTQD-SFHVURJKSA-N 0 0 484.581 4.773 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2cc1C ZINC000012714983 556105084 /nfs/dbraw/zinc/10/50/84/556105084.db2.gz XTECETFIYPODCR-PIKZIKFNSA-N 0 0 490.611 4.915 40 0 JJABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000016321465 556135233 /nfs/dbraw/zinc/13/52/33/556135233.db2.gz DZIRSMYNNHZGRI-UHFFFAOYSA-N 0 0 450.545 4.543 40 0 JJABRN COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016410108 556138537 /nfs/dbraw/zinc/13/85/37/556138537.db2.gz NTYFYOUJUQZSLP-SDLXJUDFSA-N 0 0 457.486 4.967 40 0 JJABRN Cc1cccc(C)c1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1-c1ccccc1 ZINC000016662193 556149699 /nfs/dbraw/zinc/14/96/99/556149699.db2.gz LVDZXYNNDFRINW-UHFFFAOYSA-N 0 0 469.570 4.992 40 0 JJABRN CC/C(=C(/CC)c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000017003841 556199399 /nfs/dbraw/zinc/19/93/99/556199399.db2.gz FISYQNMQPQGEIF-QVIHXGFCSA-N 0 0 494.676 4.839 40 0 JJABRN Cc1cc(OCCCC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)ccc1Cl ZINC000017043949 556210403 /nfs/dbraw/zinc/21/04/03/556210403.db2.gz CDQFSYQHHHGSEZ-UHFFFAOYSA-N 0 0 461.271 4.839 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013023761 556213263 /nfs/dbraw/zinc/21/32/63/556213263.db2.gz NMQAKYMRVKGCNS-XMMPIXPASA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(CCC1=CCCCC1)C(=O)Cn1nnc2ccccc21 ZINC000013023673 556213381 /nfs/dbraw/zinc/21/33/81/556213381.db2.gz CCTWXHAHXWBOPJ-AREMUKBSSA-N 0 0 488.636 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024297 556214220 /nfs/dbraw/zinc/21/42/20/556214220.db2.gz VEDNEDGYXDTTOZ-RUZDIDTESA-N 0 0 473.552 4.650 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024316 556214310 /nfs/dbraw/zinc/21/43/10/556214310.db2.gz CNYXOZRZHZKCFH-VWLOTQADSA-N 0 0 489.645 4.876 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024664 556214548 /nfs/dbraw/zinc/21/45/48/556214548.db2.gz VUFYFYNAPWEFEE-HHHXNRCGSA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024688 556214576 /nfs/dbraw/zinc/21/45/76/556214576.db2.gz AEFFDPXPJAWSLN-DEOSSOPVSA-N 0 0 493.608 4.707 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024666 556214586 /nfs/dbraw/zinc/21/45/86/556214586.db2.gz ABZKIHVFCDTXAG-SANMLTNESA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024820 556214841 /nfs/dbraw/zinc/21/48/41/556214841.db2.gz ZOPRYTBLYOEXEQ-DEOSSOPVSA-N 0 0 475.618 4.568 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013024845 556214876 /nfs/dbraw/zinc/21/48/76/556214876.db2.gz WHOTXTGXGXWEIO-SANMLTNESA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)=O)cc1 ZINC000013024880 556215186 /nfs/dbraw/zinc/21/51/86/556215186.db2.gz CYDMTKXLBJENEB-HHHXNRCGSA-N 0 0 497.599 4.713 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013024899 556215203 /nfs/dbraw/zinc/21/52/03/556215203.db2.gz CUBOTFNYYXEJBW-SANMLTNESA-N 0 0 485.588 4.519 40 0 JJABRN COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(OC)c1 ZINC000013025624 556216289 /nfs/dbraw/zinc/21/62/89/556216289.db2.gz UJFSEQHUCPBZAJ-QFIPXVFZSA-N 0 0 454.548 4.805 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(=O)c1cccc(OC)c1 ZINC000017086229 556216296 /nfs/dbraw/zinc/21/62/96/556216296.db2.gz UNKTYYYGWIMKTF-FYJGNVAPSA-N 0 0 461.445 4.797 40 0 JJABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F ZINC000017086247 556216419 /nfs/dbraw/zinc/21/64/19/556216419.db2.gz GTGHTLGQUAXNJZ-RUZDIDTESA-N 0 0 485.519 4.932 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)c1 ZINC000013025820 556216974 /nfs/dbraw/zinc/21/69/74/556216974.db2.gz YQVSQRNSEUTTKH-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(NC(C)=O)cc2)c1 ZINC000013025876 556217003 /nfs/dbraw/zinc/21/70/03/556217003.db2.gz RQPKKRPVUHXFLL-VWLOTQADSA-N 0 0 475.545 4.694 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013025864 556217030 /nfs/dbraw/zinc/21/70/30/556217030.db2.gz LZVLEQQAHRXFQA-DEOSSOPVSA-N 0 0 476.529 4.522 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)c1 ZINC000013025892 556217219 /nfs/dbraw/zinc/21/72/19/556217219.db2.gz LHHDVAYZTGAFKV-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)c1OC ZINC000013025983 556217510 /nfs/dbraw/zinc/21/75/10/556217510.db2.gz NYZAHUBVXRAKCH-QHCPKHFHSA-N 0 0 466.509 4.883 40 0 JJABRN COc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)c1 ZINC000013026032 556217520 /nfs/dbraw/zinc/21/75/20/556217520.db2.gz KGIAOUIDWYCSDD-DEOSSOPVSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(OC)c(OC)c1 ZINC000013026308 556218154 /nfs/dbraw/zinc/21/81/54/556218154.db2.gz FLKMIXDBFQOXMZ-SANMLTNESA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026316 556218161 /nfs/dbraw/zinc/21/81/61/556218161.db2.gz USFBYHVRYWQYBL-SANMLTNESA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1OC ZINC000013026353 556218486 /nfs/dbraw/zinc/21/84/86/556218486.db2.gz YJEMEXHJOKYSAE-XMMPIXPASA-N 0 0 466.509 4.883 40 0 JJABRN CCC(=O)Nc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)c1 ZINC000013028097 556221549 /nfs/dbraw/zinc/22/15/49/556221549.db2.gz FAQGQZJZNYNAED-UHFFFAOYSA-N 0 0 480.619 4.606 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000013028635 556222491 /nfs/dbraw/zinc/22/24/91/556222491.db2.gz LNGYEJBINSDGTD-MHZLTWQESA-N 0 0 485.588 4.552 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013029480 556223870 /nfs/dbraw/zinc/22/38/70/556223870.db2.gz JIFIRCLYEBBMSX-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013029562 556223925 /nfs/dbraw/zinc/22/39/25/556223925.db2.gz VPFFMSKIEVDISN-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1 ZINC000013029801 556224464 /nfs/dbraw/zinc/22/44/64/556224464.db2.gz GKXURWTVGNNKTK-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)c1 ZINC000013029803 556224561 /nfs/dbraw/zinc/22/45/61/556224561.db2.gz ZRDSPDQBWKORDF-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013031372 556227731 /nfs/dbraw/zinc/22/77/31/556227731.db2.gz OMZPRKXTXBSIIZ-DEOSSOPVSA-N 0 0 479.968 4.615 40 0 JJABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)ccc21 ZINC000026112414 556243871 /nfs/dbraw/zinc/24/38/71/556243871.db2.gz QZQGOZHYJIKKHO-UHFFFAOYSA-N 0 0 465.575 4.762 40 0 JJABRN CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000026115506 556245699 /nfs/dbraw/zinc/24/56/99/556245699.db2.gz RUIYIMUWYFBJGQ-UHFFFAOYSA-N 0 0 466.628 4.712 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000026119353 556248494 /nfs/dbraw/zinc/24/84/94/556248494.db2.gz ZZHJZQIFMGCVIF-LJQANCHMSA-N 0 0 460.665 4.580 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)cc1C(=O)N1CCCCCC1 ZINC000026120167 556248812 /nfs/dbraw/zinc/24/88/12/556248812.db2.gz RCVHLMIDTYQDHM-UHFFFAOYSA-N 0 0 492.732 4.945 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCCCC1 ZINC000026120397 556248815 /nfs/dbraw/zinc/24/88/15/556248815.db2.gz SQZNBYRNQXWQIR-UHFFFAOYSA-N 0 0 453.029 4.557 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)cc1 ZINC000026124667 556249783 /nfs/dbraw/zinc/24/97/83/556249783.db2.gz CHRZCUAIBSMQEW-UHFFFAOYSA-N 0 0 484.297 4.594 40 0 JJABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(I)cc1 ZINC000026124162 556249833 /nfs/dbraw/zinc/24/98/33/556249833.db2.gz XKOYXRHCTZXBOL-UHFFFAOYSA-N 0 0 454.271 4.586 40 0 JJABRN O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N[C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467071 556261114 /nfs/dbraw/zinc/26/11/14/556261114.db2.gz CPLRLNTYQAYHPM-CKEIUWERSA-N 0 0 467.658 4.594 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013063752 556261247 /nfs/dbraw/zinc/26/12/47/556261247.db2.gz DJZVTTUJIAHGHA-XMMPIXPASA-N 0 0 460.582 4.614 40 0 JJABRN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000017723198 556264597 /nfs/dbraw/zinc/26/45/97/556264597.db2.gz GSABNNPPGFSLPR-DSITVLBTSA-N 0 0 458.514 4.535 40 0 JJABRN COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)c1sc(C)nc1C)c1cc(C)cc(C)c1 ZINC000013084419 556281645 /nfs/dbraw/zinc/28/16/45/556281645.db2.gz ZWTITMKASOPDRF-JOCHJYFZSA-N 0 0 451.592 4.527 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1 ZINC000013084447 556281827 /nfs/dbraw/zinc/28/18/27/556281827.db2.gz QJOXSCYDTKIZRQ-FQEVSTJZSA-N 0 0 454.571 4.987 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)C1 ZINC000013085989 556285217 /nfs/dbraw/zinc/28/52/17/556285217.db2.gz RTJRXEORGSVLQQ-LJQANCHMSA-N 0 0 490.995 4.541 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)C1 ZINC000013085991 556285246 /nfs/dbraw/zinc/28/52/46/556285246.db2.gz RTJRXEORGSVLQQ-IBGZPJMESA-N 0 0 490.995 4.541 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000018101174 556287784 /nfs/dbraw/zinc/28/77/84/556287784.db2.gz BVVWUAPNOGNLQI-VJBWXMMDSA-N 0 0 493.357 4.817 40 0 JJABRN CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)F)NN1C(=O)COc1ccc(Cl)cc1Cl ZINC000027838669 556309146 /nfs/dbraw/zinc/30/91/46/556309146.db2.gz DUMUQPZXSVHUMR-OAHLLOKOSA-N 0 0 463.230 4.893 40 0 JJABRN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 ZINC000028048237 556313583 /nfs/dbraw/zinc/31/35/83/556313583.db2.gz JZWXEGQDPITNAI-OAQYLSRUSA-N 0 0 453.930 4.538 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1Cl ZINC000028207016 556317709 /nfs/dbraw/zinc/31/77/09/556317709.db2.gz GWHJBGQRTWEXLA-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCCC1=CCCCC1 ZINC000028208656 556318867 /nfs/dbraw/zinc/31/88/67/556318867.db2.gz DVRJWJDTLZUCDZ-UHFFFAOYSA-N 0 0 452.620 4.767 40 0 JJABRN COc1ccc(C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208774 556319159 /nfs/dbraw/zinc/31/91/59/556319159.db2.gz NOXABFYCXCSGSR-UHFFFAOYSA-N 0 0 464.587 4.716 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208853 556319475 /nfs/dbraw/zinc/31/94/75/556319475.db2.gz BMVYXZZSXGVROZ-JOCHJYFZSA-N 0 0 476.642 4.898 40 0 JJABRN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)c1C ZINC000018354992 556320202 /nfs/dbraw/zinc/32/02/02/556320202.db2.gz YCYVGZHZCGIQDW-KRWDZBQOSA-N 0 0 479.606 4.601 40 0 JJABRN O=S(=O)(Nc1ccc(Oc2ccc(NS(=O)(=O)C3CCCC3)cc2)cc1)C1CCCC1 ZINC000019075056 556327514 /nfs/dbraw/zinc/32/75/14/556327514.db2.gz DCDNWYWCEQAASW-UHFFFAOYSA-N 0 0 464.609 4.848 40 0 JJABRN O=C(C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1cccc(C(F)(F)F)c1 ZINC000028295138 556330209 /nfs/dbraw/zinc/33/02/09/556330209.db2.gz SJKGIOHIHABJIS-KKSFZXQISA-N 0 0 492.500 4.627 40 0 JJABRN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000028304783 556331551 /nfs/dbraw/zinc/33/15/51/556331551.db2.gz DQNILRVRSOGVDQ-MOPGFXCFSA-N 0 0 453.608 4.911 40 0 JJABRN COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000028304777 556331591 /nfs/dbraw/zinc/33/15/91/556331591.db2.gz DQNILRVRSOGVDQ-RTBURBONSA-N 0 0 453.608 4.911 40 0 JJABRN COc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-n2cccc2)c1 ZINC000028534788 556334838 /nfs/dbraw/zinc/33/48/38/556334838.db2.gz LDVHXQSTRMYVDB-UHFFFAOYSA-N 0 0 453.955 4.759 40 0 JJABRN CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc(F)c(F)c1F)CCCC3 ZINC000028608043 556336278 /nfs/dbraw/zinc/33/62/78/556336278.db2.gz LNVXQFKVQBLBRI-UHFFFAOYSA-N 0 0 453.511 4.505 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N(CC)Cc3ccccc3)cc2c1 ZINC000019499580 556349360 /nfs/dbraw/zinc/34/93/60/556349360.db2.gz HZNWRFQIIBEXRA-XMMPIXPASA-N 0 0 474.609 4.670 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1OC)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000019500688 556349747 /nfs/dbraw/zinc/34/97/47/556349747.db2.gz YAYOXUFWNLNCBT-VWLOTQADSA-N 0 0 498.587 4.626 40 0 JJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526618 556351017 /nfs/dbraw/zinc/35/10/17/556351017.db2.gz ZUJBGIYJWJFYJS-VWLOTQADSA-N 0 0 472.593 4.640 40 0 JJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526635 556351651 /nfs/dbraw/zinc/35/16/51/556351651.db2.gz QKIQRPOPILNLFC-VWLOTQADSA-N 0 0 456.594 4.940 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1C ZINC000030751123 556370869 /nfs/dbraw/zinc/37/08/69/556370869.db2.gz HRJQQDJTZKONAU-UHFFFAOYSA-N 0 0 452.576 4.821 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000030755138 556372857 /nfs/dbraw/zinc/37/28/57/556372857.db2.gz LYCRUDIQIHAOHU-UHFFFAOYSA-N 0 0 472.994 4.587 40 0 JJABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000030756862 556373565 /nfs/dbraw/zinc/37/35/65/556373565.db2.gz WRICXUOMSDOEOI-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000030835529 556375444 /nfs/dbraw/zinc/37/54/44/556375444.db2.gz NLYKCIYZDBDPTG-GOSISDBHSA-N 0 0 460.615 4.542 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000030847568 556376079 /nfs/dbraw/zinc/37/60/79/556376079.db2.gz IEAKDDKKVWGPCN-UHFFFAOYSA-N 0 0 488.613 4.837 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(Cl)c1 ZINC000030849103 556376586 /nfs/dbraw/zinc/37/65/86/556376586.db2.gz FDERNXKXUXJZFN-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000030853924 556378984 /nfs/dbraw/zinc/37/89/84/556378984.db2.gz YYBLZVFKRBOFAE-UHFFFAOYSA-N 0 0 470.566 4.509 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000030854609 556379325 /nfs/dbraw/zinc/37/93/25/556379325.db2.gz ZMCBRNXFFUGIJV-UHFFFAOYSA-N 0 0 495.004 4.589 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000030859100 556380908 /nfs/dbraw/zinc/38/09/08/556380908.db2.gz NUUVJVAHALLREF-AREMUKBSSA-N 0 0 478.614 4.698 40 0 JJABRN COc1ccc(OC[C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000030861654 556381968 /nfs/dbraw/zinc/38/19/68/556381968.db2.gz IAGVWAGTQOPLRU-QGZVFWFLSA-N 0 0 488.993 4.655 40 0 JJABRN CCOc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000030862093 556382151 /nfs/dbraw/zinc/38/21/51/556382151.db2.gz SSEBBKAHVDCYSB-UHFFFAOYSA-N 0 0 472.994 4.593 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030863474 556382754 /nfs/dbraw/zinc/38/27/54/556382754.db2.gz WQNGYNNUHDRHHZ-UHFFFAOYSA-N 0 0 499.460 4.639 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000030864254 556382815 /nfs/dbraw/zinc/38/28/15/556382815.db2.gz YHSDJRZYXNXIPR-OAHLLOKOSA-N 0 0 467.418 4.513 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000030863604 556382901 /nfs/dbraw/zinc/38/29/01/556382901.db2.gz AESTUFVTOYCRSA-GOSISDBHSA-N 0 0 494.613 4.804 40 0 JJABRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cc1 ZINC000030864551 556382905 /nfs/dbraw/zinc/38/29/05/556382905.db2.gz DZKMGNBUJCOKFF-UHFFFAOYSA-N 0 0 451.544 4.787 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1OC ZINC000019816562 556383022 /nfs/dbraw/zinc/38/30/22/556383022.db2.gz ZKFZIVLDIOVCGN-INIZCTEOSA-N 0 0 480.977 5.000 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc(OC)c1OC ZINC000019816672 556383132 /nfs/dbraw/zinc/38/31/32/556383132.db2.gz HOZDWYDZPOXAJR-KRWDZBQOSA-N 0 0 490.585 4.664 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c(OC)c1 ZINC000019816948 556383394 /nfs/dbraw/zinc/38/33/94/556383394.db2.gz XBRZPDSXAZMGRH-KRWDZBQOSA-N 0 0 460.559 4.655 40 0 JJABRN CC(C)C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030867980 556383780 /nfs/dbraw/zinc/38/37/80/556383780.db2.gz HEAPIKAOMUAURV-DHLKQENFSA-N 0 0 464.587 4.547 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000030868500 556384024 /nfs/dbraw/zinc/38/40/24/556384024.db2.gz CLSOSDLHOXLMFN-UHFFFAOYSA-N 0 0 478.979 4.656 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000030870511 556384726 /nfs/dbraw/zinc/38/47/26/556384726.db2.gz JRZJDCURTXEODH-LJQANCHMSA-N 0 0 452.576 4.994 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030873191 556385720 /nfs/dbraw/zinc/38/57/20/556385720.db2.gz ADTKCXVMIPVAIG-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CC1=C[C@@H](CNC(=O)Nc2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 ZINC000030881268 556386395 /nfs/dbraw/zinc/38/63/95/556386395.db2.gz KZEILSJLYHDWOH-HFMPRLQTSA-N 0 0 452.574 4.903 40 0 biogenic,in-vitro JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000019820126 556388738 /nfs/dbraw/zinc/38/87/38/556388738.db2.gz ADRBFTZCYWKDRS-JWQCQUIFSA-N 0 0 453.542 4.914 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 ZINC000019820216 556389054 /nfs/dbraw/zinc/38/90/54/556389054.db2.gz TVIOSNXCTMBXEY-LOSJGSFVSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1OCC ZINC000019820297 556389330 /nfs/dbraw/zinc/38/93/30/556389330.db2.gz XIBJZTBGQDTUOO-LOSJGSFVSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000019820668 556390523 /nfs/dbraw/zinc/39/05/23/556390523.db2.gz VOPHSENCQDJOSF-RPBOFIJWSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1sccc1C ZINC000019820835 556390843 /nfs/dbraw/zinc/39/08/43/556390843.db2.gz SKFLJTURANMUAG-FGZHOGPDSA-N 0 0 459.571 4.764 40 0 JJABRN COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccc(OC)c(OC)c3)N2)cc1OC ZINC000031795270 556404704 /nfs/dbraw/zinc/40/47/04/556404704.db2.gz HJTUCLGFYSNIMK-DCFHFQCYSA-N 0 0 465.546 4.715 40 0 JJABRN COc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000031903448 556409658 /nfs/dbraw/zinc/40/96/58/556409658.db2.gz PDKZQLDWTWAZEL-QFIPXVFZSA-N 0 0 455.558 4.683 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3(c4ccccc4)CCOCC3)ccc2C)cc1 ZINC000031934320 556411095 /nfs/dbraw/zinc/41/10/95/556411095.db2.gz MKOCCHGWHKZHCB-UHFFFAOYSA-N 0 0 478.614 4.582 40 0 JJABRN CC/C(=C(\CC)c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1 ZINC000031938078 556411704 /nfs/dbraw/zinc/41/17/04/556411704.db2.gz FISYQNMQPQGEIF-FLWNBWAVSA-N 0 0 494.676 4.839 40 0 JJABRN Cc1ccc(C2=NN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101174 556416747 /nfs/dbraw/zinc/41/67/47/556416747.db2.gz CNDMHUYZWCZUEM-BLVKFPJESA-N 0 0 461.267 4.957 40 0 JJABRN O=C(c1cccc(Br)c1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101398 556417038 /nfs/dbraw/zinc/41/70/38/556417038.db2.gz TUOLIBOXZIGJRY-MRXNPFEDSA-N 0 0 492.089 4.713 40 0 JJABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc3ccccc32)c(C(=O)OCC)c1C ZINC000032109314 556418770 /nfs/dbraw/zinc/41/87/70/556418770.db2.gz RRNKYEWVTZLVHN-UHFFFAOYSA-N 0 0 470.572 4.690 40 0 JJABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000032114596 556421309 /nfs/dbraw/zinc/42/13/09/556421309.db2.gz OFRGOJJXOSVTBC-UHFFFAOYSA-N 0 0 454.777 4.824 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1OC ZINC000032115129 556422135 /nfs/dbraw/zinc/42/21/35/556422135.db2.gz RQFAVBXNIPKWTI-UHFFFAOYSA-N 0 0 464.385 4.713 40 0 JJABRN Cc1cc(I)ccc1NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000032124707 556427738 /nfs/dbraw/zinc/42/77/38/556427738.db2.gz NCNOGJLEOFFLHZ-UHFFFAOYSA-N 0 0 469.120 4.956 40 0 JJABRN CCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1Cl ZINC000032124788 556427843 /nfs/dbraw/zinc/42/78/43/556427843.db2.gz DIOBNIUFWJUMSJ-UHFFFAOYSA-N 0 0 480.904 4.565 40 0 JJABRN NC(=O)c1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCCC2 ZINC000032125213 556429116 /nfs/dbraw/zinc/42/91/16/556429116.db2.gz ZYVKCFDKHIYODT-UHFFFAOYSA-N 0 0 479.627 4.822 40 0 JJABRN NC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCCC2 ZINC000032125337 556429594 /nfs/dbraw/zinc/42/95/94/556429594.db2.gz ADJZBUABOIUZAQ-UHFFFAOYSA-N 0 0 486.844 4.659 40 0 JJABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000032126224 556429998 /nfs/dbraw/zinc/42/99/98/556429998.db2.gz QEOSXAHJPOGOHT-UHFFFAOYSA-N 0 0 473.558 4.708 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000032127626 556432151 /nfs/dbraw/zinc/43/21/51/556432151.db2.gz QXHHAXBRFOJGFH-UHFFFAOYSA-N 0 0 480.619 4.775 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000032127549 556432191 /nfs/dbraw/zinc/43/21/91/556432191.db2.gz UCGFAQYTNLZZGY-UHFFFAOYSA-N 0 0 494.356 4.983 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1Br ZINC000032127933 556432591 /nfs/dbraw/zinc/43/25/91/556432591.db2.gz FVVVEUIKIROVAL-UHFFFAOYSA-N 0 0 486.800 4.856 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)oc2c1 ZINC000032128001 556432740 /nfs/dbraw/zinc/43/27/40/556432740.db2.gz DCWGEJDNHIGHNE-UHFFFAOYSA-N 0 0 483.347 4.829 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3Cl)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508671 556443565 /nfs/dbraw/zinc/44/35/65/556443565.db2.gz DVXIMOKPTQQOOK-QZTJIDSGSA-N 0 0 475.850 4.917 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1[C@@H](C)Oc1ccccc1 ZINC000032604413 556450417 /nfs/dbraw/zinc/45/04/17/556450417.db2.gz RGWIEJCZQDPXLQ-CQSZACIVSA-N 0 0 461.385 4.931 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1)N2c1cc(C(F)(F)F)ccc1Cl ZINC000032640568 556463474 /nfs/dbraw/zinc/46/34/74/556463474.db2.gz LYXCTUDMRBMBPQ-WBVHZDCISA-N 0 0 460.930 4.634 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640806 556463728 /nfs/dbraw/zinc/46/37/28/556463728.db2.gz QVPYHDOGWSVCCM-HKUYNNGSSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032640939 556464810 /nfs/dbraw/zinc/46/48/10/556464810.db2.gz VKLMHMZPBMJQOZ-NVXWUHKLSA-N 0 0 489.819 4.517 40 0 JJABRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 ZINC000032685768 556470511 /nfs/dbraw/zinc/47/05/11/556470511.db2.gz LTESCAAJMFTSQE-UHFFFAOYSA-N 0 0 458.543 4.760 40 0 JJABRN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289673 560032094 /nfs/dbraw/zinc/03/20/94/560032094.db2.gz YBPDEZXATSQKBO-HOCLYGCPSA-N 0 0 465.447 4.756 40 0 biogenic,in-vitro JJABRN COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289417 560032513 /nfs/dbraw/zinc/03/25/13/560032513.db2.gz SMFVPULHZKWYMF-IRXDYDNUSA-N 0 0 461.484 4.746 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NCc4ccccc4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000067898868 560049620 /nfs/dbraw/zinc/04/96/20/560049620.db2.gz GEWRQATWPCZEJN-YJXDZBRCSA-N 0 0 492.660 4.569 40 0 biogenic,in-vitro JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000008667159 562949036 /nfs/dbraw/zinc/94/90/36/562949036.db2.gz KYUFPEQBNDTXCZ-RUZDIDTESA-N 0 0 463.603 4.523 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000008676807 562950477 /nfs/dbraw/zinc/95/04/77/562950477.db2.gz DHERJUGIVZOXQS-AREMUKBSSA-N 0 0 487.604 4.662 40 0 JJABRN C/C=C\Cn1c(-c2ccc(Br)cc2)cs/c1=N/S(=O)(=O)c1cccs1 ZINC000054138550 569589366 /nfs/dbraw/zinc/58/93/66/569589366.db2.gz ZFHBDAXLJNZEHL-GBJMYIJUSA-N 0 0 455.424 4.906 40 0 JJABRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3n2)cc1Cl ZINC000057312895 569596458 /nfs/dbraw/zinc/59/64/58/569596458.db2.gz BMTYOSXBDFMPHX-UHFFFAOYSA-N 0 0 479.978 4.514 40 0 JJABRN O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2nsnc2c1 ZINC000057313662 569596713 /nfs/dbraw/zinc/59/67/13/569596713.db2.gz RAHKKLHUCIYRSN-UHFFFAOYSA-N 0 0 477.977 4.559 40 0 JJABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000057315597 569597121 /nfs/dbraw/zinc/59/71/21/569597121.db2.gz GSCKBIUXBSHXHW-ACCUITESSA-N 0 0 498.582 4.806 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)nn12 ZINC000057316451 569597754 /nfs/dbraw/zinc/59/77/54/569597754.db2.gz DTBNRYDJEADKOH-UHFFFAOYSA-N 0 0 458.572 4.695 40 0 JJABRN O=C(C=Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057316712 569598124 /nfs/dbraw/zinc/59/81/24/569598124.db2.gz YVULAXNDFJIKMW-ZZXKWVIFSA-N 0 0 492.325 4.786 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1 ZINC000057317152 569598341 /nfs/dbraw/zinc/59/83/41/569598341.db2.gz FCXHNPFJQZEJMA-UHFFFAOYSA-N 0 0 458.002 4.831 40 0 JJABRN CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000057328353 569598796 /nfs/dbraw/zinc/59/87/96/569598796.db2.gz UCMLLULFJFHYPF-MRXNPFEDSA-N 0 0 460.559 4.872 40 0 JJABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000059294590 569602632 /nfs/dbraw/zinc/60/26/32/569602632.db2.gz FTMDVBXJYGVWLO-UHFFFAOYSA-N 0 0 472.551 4.900 40 0 JJABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000059427846 569603679 /nfs/dbraw/zinc/60/36/79/569603679.db2.gz FJSPXAXEEKOEOJ-RNHBDSLOSA-N 0 0 495.044 4.749 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000059444226 569603963 /nfs/dbraw/zinc/60/39/63/569603963.db2.gz DIHMHALRBMDDMZ-UHFFFAOYSA-N 0 0 472.994 4.529 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059471883 569604394 /nfs/dbraw/zinc/60/43/94/569604394.db2.gz RBEPRRPUPFIXMZ-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000059471949 569604397 /nfs/dbraw/zinc/60/43/97/569604397.db2.gz KZJVYQBNZAOLEH-UHFFFAOYSA-N 0 0 496.629 4.738 40 0 JJABRN COc1c(Br)cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1Br ZINC000059484457 569605033 /nfs/dbraw/zinc/60/50/33/569605033.db2.gz NRZITNHXEWJGDV-DHDCSXOGSA-N 0 0 451.114 4.873 40 0 JJABRN CCOc1cc(/C=C2/N=C(C)OC2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000059484414 569605117 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Cc1c(Br)ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1C ZINC000034703169 569649255 /nfs/dbraw/zinc/64/92/55/569649255.db2.gz VQJFIZQPPDMPIZ-UHFFFAOYSA-N 0 0 461.385 4.504 40 0 JJABRN CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000034705193 569649458 /nfs/dbraw/zinc/64/94/58/569649458.db2.gz ITEBDYKQOCJUEI-LJQANCHMSA-N 0 0 472.014 4.717 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000034713579 569651311 /nfs/dbraw/zinc/65/13/11/569651311.db2.gz OTJROAUPLDGWND-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN CCOc1cc(CO)cc(Br)c1OCc1ccc(I)cc1 ZINC000034772814 569659131 /nfs/dbraw/zinc/65/91/31/569659131.db2.gz QCMPFZZCAFCCPC-UHFFFAOYSA-N 0 0 463.109 4.524 40 0 JJABRN O=C(COc1ccc(Br)cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000034933870 569673662 /nfs/dbraw/zinc/67/36/62/569673662.db2.gz LHQQSQNKRYRTAH-UHFFFAOYSA-N 0 0 485.721 4.921 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000035104030 569674890 /nfs/dbraw/zinc/67/48/90/569674890.db2.gz BWMKDSJDGPIXBY-QGZVFWFLSA-N 0 0 489.601 4.682 40 0 JJABRN Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2C)cc1 ZINC000035155215 569676293 /nfs/dbraw/zinc/67/62/93/569676293.db2.gz XUZNCSFYNNNGLJ-UHFFFAOYSA-N 0 0 498.823 4.745 40 0 JJABRN CCOC(=O)c1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2N2CCC[C@H](O)C2)cc1OCC ZINC000065743019 569676635 /nfs/dbraw/zinc/67/66/35/569676635.db2.gz MQKJIODGPALHCU-WIOPSUGQSA-N 0 0 496.648 4.669 40 0 in-vitro JJABRN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000035166913 569677079 /nfs/dbraw/zinc/67/70/79/569677079.db2.gz DGFDBVUPPVNJKB-INIZCTEOSA-N 0 0 484.394 4.503 40 0 JJABRN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2cccc(C)c2)C(Cl)(Cl)Cl)cc1 ZINC000035168668 569677181 /nfs/dbraw/zinc/67/71/81/569677181.db2.gz CICYSMUTGBSWIH-SFHVURJKSA-N 0 0 474.841 4.735 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000035211768 569678279 /nfs/dbraw/zinc/67/82/79/569678279.db2.gz XNVKAXDBXVDBRA-SFHVURJKSA-N 0 0 469.434 4.636 40 0 JJABRN COc1cc2c(cc1OC)[C@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)C1CCCCC1)CC2 ZINC000035313533 569680263 /nfs/dbraw/zinc/68/02/63/569680263.db2.gz NAWJFDWZUMYZIN-AREMUKBSSA-N 0 0 460.574 4.908 40 0 JJABRN COc1cc2c(cc1OC)[C@@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)C1CCCCC1)CC2 ZINC000035313531 569680286 /nfs/dbraw/zinc/68/02/86/569680286.db2.gz NAWJFDWZUMYZIN-SANMLTNESA-N 0 0 460.574 4.908 40 0 JJABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)C1CCCCC1)CC2 ZINC000035313535 569680336 /nfs/dbraw/zinc/68/03/36/569680336.db2.gz NZDUAAFYGDHQBJ-AREMUKBSSA-N 0 0 460.574 4.908 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)n(C)c4ccccc34)C2=O)cc1Cl ZINC000035334972 569680975 /nfs/dbraw/zinc/68/09/75/569680975.db2.gz VVSZPXXOBLWECD-JAIQZWGSSA-N 0 0 469.950 4.824 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000035386899 569686947 /nfs/dbraw/zinc/68/69/47/569686947.db2.gz NGONZMSDYFTFAZ-UHFFFAOYSA-N 0 0 475.369 4.761 40 0 JJABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccc(F)cc4)CC3)s2)n1 ZINC000072230225 569700840 /nfs/dbraw/zinc/70/08/40/569700840.db2.gz CRICRIUOJVIVLG-UHFFFAOYSA-N 0 0 469.973 4.854 40 0 JJABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]23C)O1 ZINC000072332870 569703102 /nfs/dbraw/zinc/70/31/02/569703102.db2.gz QYGPFTLXAZGSEF-PSTYQDIHSA-N 0 0 492.741 4.827 40 0 biogenic JJABRN Cc1cc(Br)c(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1C ZINC000072414523 569704002 /nfs/dbraw/zinc/70/40/02/569704002.db2.gz YNDKFYXWCMZYNP-UHFFFAOYSA-N 0 0 457.821 4.539 40 0 JJABRN Ic1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000073634414 569704561 /nfs/dbraw/zinc/70/45/61/569704561.db2.gz QXYNLIOPIBISNC-UHFFFAOYSA-N 0 0 474.039 4.613 40 0 JJABRN Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2c1ncnc2N ZINC000077293197 569705712 /nfs/dbraw/zinc/70/57/12/569705712.db2.gz PXVQGBJMIQCDEX-UHFFFAOYSA-N 0 0 469.442 4.507 40 0 in-vitro JJABRN 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569736417 /nfs/dbraw/zinc/73/64/17/569736417.db2.gz BVLRPGXBJCWWDX-AREMUKBSSA-N 0 0 452.620 4.679 40 0 JJABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccncc5)cc43)cs2)cc1 ZINC000096154449 569736499 /nfs/dbraw/zinc/73/64/99/569736499.db2.gz NDZZJHYKQKNHND-UHFFFAOYSA-N 0 0 456.527 4.994 40 0 JJABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccccn5)cc43)cs2)cc1 ZINC000096154450 569736511 /nfs/dbraw/zinc/73/65/11/569736511.db2.gz PKAVDTXSIJWHON-UHFFFAOYSA-N 0 0 456.527 4.994 40 0 JJABRN CC(C)n1cnc2c1cc(C1CCN(S(=O)(=O)C(F)(F)F)CC1)nc2-c1ccccc1 ZINC000096155644 569736713 /nfs/dbraw/zinc/73/67/13/569736713.db2.gz GYJQMMWKQKRLAK-UHFFFAOYSA-N 0 0 452.502 4.708 40 0 JJABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCc4ccc(F)cc4)cc32)n1 ZINC000096156523 569736942 /nfs/dbraw/zinc/73/69/42/569736942.db2.gz KAHCDCPKAZYSQS-XMMPIXPASA-N 0 0 483.547 4.720 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4)[C@]3(C)C2=O)cc1 ZINC000036006909 569747666 /nfs/dbraw/zinc/74/76/66/569747666.db2.gz TWPIELDCTJUEGR-XFAFFCHDSA-N 0 0 458.514 4.535 40 0 JJABRN CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100227744 569755794 /nfs/dbraw/zinc/75/57/94/569755794.db2.gz YHJASAOVNLGHPM-RUZDIDTESA-N 0 0 480.580 4.759 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000036067878 569756675 /nfs/dbraw/zinc/75/66/75/569756675.db2.gz FXVIZCHROISTCZ-HOYKHHGWSA-N 0 0 487.021 4.717 40 0 JJABRN Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000036067526 569756687 /nfs/dbraw/zinc/75/66/87/569756687.db2.gz HBIMFMHXKVYAFJ-PXDATVDWSA-N 0 0 450.604 4.672 40 0 JJABRN COc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(O)c23)cc1 ZINC000100354637 569757900 /nfs/dbraw/zinc/75/79/00/569757900.db2.gz BAEKZKFUOAAURM-RBBKRZOGSA-N 0 0 494.334 4.619 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 ZINC000100386369 569758443 /nfs/dbraw/zinc/75/84/43/569758443.db2.gz HMXYLJALFPRPQC-UHFFFAOYSA-N 0 0 471.608 4.827 40 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Cc1sc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(C(=O)c2ccc(C)cc2)c1C ZINC000036350490 569771143 /nfs/dbraw/zinc/77/11/43/569771143.db2.gz KPDTUOHTRRNKJE-UHFFFAOYSA-N 0 0 465.594 4.804 40 0 JJABRN COc1ccc(CCNC(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)NC(=O)c2ccccc2)cc1OC ZINC000100862661 569772755 /nfs/dbraw/zinc/77/27/55/569772755.db2.gz KJTWAXMZBXXCTJ-BZSPEZQHSA-N 0 0 498.579 4.541 40 0 JJABRN COC(=O)c1c2c(sc1N1C(=O)[C@@H]3[C@H](c4cccs4)N(c4ccccc4)O[C@@H]3C1=O)CCCC2 ZINC000100865917 569772812 /nfs/dbraw/zinc/77/28/12/569772812.db2.gz ZLKSTWHCZXRWLO-HKBOAZHASA-N 0 0 494.594 4.526 40 0 JJABRN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C)N2C[C@H](O)COc2ccccc2)cc1OC ZINC000036367821 569773100 /nfs/dbraw/zinc/77/31/00/569773100.db2.gz DDIKBTWEGPODRH-ZIEGJXHLSA-N 0 0 472.585 4.961 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000100885304 569774266 /nfs/dbraw/zinc/77/42/66/569774266.db2.gz XGWGFGYXGUMXJS-VABKMULXSA-N 0 0 482.895 4.547 40 0 JJABRN Cc1nn(C)cc1-c1nn(-c2nc(C3CC3)cc(C(F)(F)F)n2)c(-c2cn(C)nc2C)c1Cl ZINC000036611586 569777657 /nfs/dbraw/zinc/77/76/57/569777657.db2.gz XBXPUUGECJPROB-UHFFFAOYSA-N 0 0 476.894 4.630 40 0 JJABRN COc1cc([C@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)ccc1O ZINC000100972252 569778082 /nfs/dbraw/zinc/77/80/82/569778082.db2.gz FKQLECAQAZHINV-RYRKJORJSA-N 0 0 470.597 4.624 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000101024352 569779795 /nfs/dbraw/zinc/77/97/95/569779795.db2.gz UCAUEEWOGIPRCQ-NXCFDTQHSA-N 0 0 488.540 4.544 40 0 JJABRN O=S(=O)(CC[C@H]1[C@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2[C@@H]3CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000101038017 569780252 /nfs/dbraw/zinc/78/02/52/569780252.db2.gz LJZXJWOHIWWCJK-NZEFANJOSA-N 0 0 494.678 4.811 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000036723924 569780371 /nfs/dbraw/zinc/78/03/71/569780371.db2.gz WYBOBTNZPGFUSF-UHFFFAOYSA-N 0 0 494.613 4.704 40 0 JJABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O ZINC000101106918 569783136 /nfs/dbraw/zinc/78/31/36/569783136.db2.gz JDBOTQSOWMOYSV-WOJGMQOQSA-N 0 0 476.348 4.628 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000038179298 569800001 /nfs/dbraw/zinc/80/00/01/569800001.db2.gz KWWNLQSKCMSQTH-UHFFFAOYSA-N 0 0 498.200 4.742 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101193368 569786780 /nfs/dbraw/zinc/78/67/80/569786780.db2.gz AFNZTVBMNIRERZ-FKBYEOEOSA-N 0 0 468.431 4.632 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000101224327 569787432 /nfs/dbraw/zinc/78/74/32/569787432.db2.gz OXTBQFFIMWQXLJ-VABKMULXSA-N 0 0 493.357 4.899 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038752286 569806292 /nfs/dbraw/zinc/80/62/92/569806292.db2.gz BVXYWUDTYYQDIC-UHFFFAOYSA-N 0 0 471.966 4.533 40 0 JJABRN COc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC ZINC000038753218 569806517 /nfs/dbraw/zinc/80/65/17/569806517.db2.gz HFJNMVHLMIRZTL-UHFFFAOYSA-N 0 0 450.373 4.801 40 0 JJABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000038754012 569806621 /nfs/dbraw/zinc/80/66/21/569806621.db2.gz DLLMXISNAYHUIG-NRFANRHFSA-N 0 0 474.966 4.946 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000038753835 569806705 /nfs/dbraw/zinc/80/67/05/569806705.db2.gz ZEXZUUQCOXVAIE-RUZDIDTESA-N 0 0 466.603 4.857 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038755555 569807142 /nfs/dbraw/zinc/80/71/42/569807142.db2.gz RPDGXRRJSMPVIF-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(Cl)c1 ZINC000038756461 569807255 /nfs/dbraw/zinc/80/72/55/569807255.db2.gz XHGGTAOLTOKJCH-LLVKDONJSA-N 0 0 493.796 4.617 40 0 JJABRN COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000038756699 569807365 /nfs/dbraw/zinc/80/73/65/569807365.db2.gz YUUSYUPVCSWQAK-UHFFFAOYSA-N 0 0 472.994 4.820 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000038772775 569807759 /nfs/dbraw/zinc/80/77/59/569807759.db2.gz SJWYRHKVHJHABM-UHFFFAOYSA-N 0 0 498.004 4.685 40 0 JJABRN CC[C@@H](C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000038783429 569807913 /nfs/dbraw/zinc/80/79/13/569807913.db2.gz IEHZROJBJXJUTM-RPWUZVMVSA-N 0 0 460.640 4.760 40 0 JJABRN O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)CC1)OCc1ccccc1 ZINC000101969100 569808499 /nfs/dbraw/zinc/80/84/99/569808499.db2.gz GCSQBSVMUVVSSS-PUZFROQSSA-N 0 0 475.541 4.920 40 0 JJABRN CCc1cc(=O)oc2cc(OC(=O)[C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)ccc12 ZINC000101969106 569808587 /nfs/dbraw/zinc/80/85/87/569808587.db2.gz QFMXHRPHCKNYAS-RVWIWJKTSA-N 0 0 463.530 4.994 40 0 JJABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)c1 ZINC000039556239 569810245 /nfs/dbraw/zinc/81/02/45/569810245.db2.gz PCAFZDFPEMKODH-ZVHZXABRSA-N 0 0 482.515 4.669 40 0 JJABRN Cc1ccc(Cn2cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c3ccccc32)cc1 ZINC000039556243 569810282 /nfs/dbraw/zinc/81/02/82/569810282.db2.gz HBBSDEXMNLEYGT-MFKUBSTISA-N 0 0 478.552 4.838 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(=O)N(CC)CC)c21 ZINC000039556649 569810558 /nfs/dbraw/zinc/81/05/58/569810558.db2.gz CYDTZYRBCFTFLD-IWIPYMOSSA-N 0 0 488.657 4.951 40 0 JJABRN C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccs1)N1C=Cc3ccccc3[C@@H]21 ZINC000102239065 569811191 /nfs/dbraw/zinc/81/11/91/569811191.db2.gz CBLUXPRLQMCWKL-NJXOERCFSA-N 0 0 454.551 4.703 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cc5ccccc5o4)cc3)o2)cc1 ZINC000039762694 569811609 /nfs/dbraw/zinc/81/16/09/569811609.db2.gz WXFRBHIRVBOICC-UHFFFAOYSA-N 0 0 454.442 4.996 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039772481 569811922 /nfs/dbraw/zinc/81/19/22/569811922.db2.gz WYDBRKALGJCRDL-UHFFFAOYSA-N 0 0 494.032 4.504 40 0 JJABRN CO[C@@]1(C)O[C@]2(C)CO[C@H](c3ccccc3)O[C@@]2(C)[C@@](C)(O)[C@]1(C)O[C@]1(C)OC[C@H](C)[C@H](C)[C@H]1C ZINC000039945907 569812435 /nfs/dbraw/zinc/81/24/35/569812435.db2.gz BHHCZUBJUMCTLK-UWSVJNAMSA-N 0 0 492.653 4.823 40 0 JJABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(COC)nn2c1C ZINC000039963907 569812604 /nfs/dbraw/zinc/81/26/04/569812604.db2.gz RRBSLJOLNKDZRT-UHFFFAOYSA-N 0 0 451.914 4.551 40 0 JJABRN CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985273 569812973 /nfs/dbraw/zinc/81/29/73/569812973.db2.gz JHBYZXJEDNQBIU-UHFFFAOYSA-N 0 0 456.178 4.950 40 0 JJABRN CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985251 569812974 /nfs/dbraw/zinc/81/29/74/569812974.db2.gz QRXKUOPOBPWAQA-UHFFFAOYSA-N 0 0 470.205 4.627 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000039986247 569813082 /nfs/dbraw/zinc/81/30/82/569813082.db2.gz NCPCGJXSFSABAG-UHFFFAOYSA-N 0 0 468.575 4.835 40 0 JJABRN CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985910 569813098 /nfs/dbraw/zinc/81/30/98/569813098.db2.gz KTUFSMIURLKBPA-UHFFFAOYSA-N 0 0 477.413 4.910 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000039986126 569813160 /nfs/dbraw/zinc/81/31/60/569813160.db2.gz LJWPQRNWVQYCFN-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102692259 569815917 /nfs/dbraw/zinc/81/59/17/569815917.db2.gz JZDBCNWYNNNJMC-ACRUOGEOSA-N 0 0 467.294 4.639 40 0 JJABRN CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000102697952 569816079 /nfs/dbraw/zinc/81/60/79/569816079.db2.gz IJCBZJFRFZYUKB-CQXYJFHHSA-N 0 0 460.611 4.707 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102724200 569817491 /nfs/dbraw/zinc/81/74/91/569817491.db2.gz MUXSDIFQXNKICF-FDFHNCONSA-N 0 0 479.330 4.509 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)c1OC ZINC000102723706 569817546 /nfs/dbraw/zinc/81/75/46/569817546.db2.gz IJMYYCGLMIZEQX-OHSXHVKISA-N 0 0 480.520 4.908 40 0 JJABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102743633 569819532 /nfs/dbraw/zinc/81/95/32/569819532.db2.gz JFNIOTXAMZZTDN-KWXIBIRDSA-N 0 0 486.568 4.921 40 0 JJABRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000102754784 569821318 /nfs/dbraw/zinc/82/13/18/569821318.db2.gz DATOMUUNBYGINO-BHIFYINESA-N 0 0 485.323 4.759 40 0 JJABRN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2C)ccc1OCc1ccccc1 ZINC000102760275 569821879 /nfs/dbraw/zinc/82/18/79/569821879.db2.gz PUMHPEUOOVEBSZ-DSNGMDLFSA-N 0 0 492.959 4.794 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102761248 569822022 /nfs/dbraw/zinc/82/20/22/569822022.db2.gz HRROAIDPKJDDAX-HBMCJLEFSA-N 0 0 472.394 4.775 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102762513 569822481 /nfs/dbraw/zinc/82/24/81/569822481.db2.gz JBIMHYZVXXZPDS-ACRUOGEOSA-N 0 0 456.395 4.896 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102764412 569822636 /nfs/dbraw/zinc/82/26/36/569822636.db2.gz YRLAJCYNFMQPET-XPWALMASSA-N 0 0 493.357 4.817 40 0 JJABRN COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102764613 569822708 /nfs/dbraw/zinc/82/27/08/569822708.db2.gz VMIFNVLNVMYNCT-MOXQZVSFSA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000102765666 569822808 /nfs/dbraw/zinc/82/28/08/569822808.db2.gz GFEWWBQMXDPGOC-FNAHDJPLSA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000102765673 569822915 /nfs/dbraw/zinc/82/29/15/569822915.db2.gz GFEWWBQMXDPGOC-MYGLTJDJSA-N 0 0 489.963 4.542 40 0 JJABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(F)cc45)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396011 569825498 /nfs/dbraw/zinc/82/54/98/569825498.db2.gz GLINHTLQVTWAGI-UHFFFAOYSA-N 0 0 472.911 4.931 40 0 JJABRN COCc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccccc1 ZINC000040396507 569825655 /nfs/dbraw/zinc/82/56/55/569825655.db2.gz JNHAUSIINXJPPP-UHFFFAOYSA-N 0 0 494.338 4.548 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399419 569826496 /nfs/dbraw/zinc/82/64/96/569826496.db2.gz IDNCYKIEGURHBE-LBPRGKRZSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399474 569826713 /nfs/dbraw/zinc/82/67/13/569826713.db2.gz XVRWAHKURXVGKZ-AWEZNQCLSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cccc2ccccc21)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400213 569827293 /nfs/dbraw/zinc/82/72/93/569827293.db2.gz YCIGQLWYWBCEFR-KRWDZBQOSA-N 0 0 493.445 4.750 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400317 569827680 /nfs/dbraw/zinc/82/76/80/569827680.db2.gz IHEJAQMTHAFPIM-ZDUSSCGKSA-N 0 0 491.857 4.559 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000040717459 569830395 /nfs/dbraw/zinc/83/03/95/569830395.db2.gz HDKKOYPNYSCSKE-UHFFFAOYSA-N 0 0 451.611 4.696 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 ZINC000040844923 569834746 /nfs/dbraw/zinc/83/47/46/569834746.db2.gz AHZJNGUUVDQTRG-UHFFFAOYSA-N 0 0 451.116 4.725 40 0 JJABRN COc1cc(/C=C2/SC(=N)NC2=O)cc(Br)c1OCCOc1ccccc1Cl ZINC000041077977 569835936 /nfs/dbraw/zinc/83/59/36/569835936.db2.gz UKXBCJWQNMPWCV-MHWRWJLKSA-N 0 0 483.771 4.708 40 0 JJABRN Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cc(Cl)ccc4C)s3)cc(=O)n2c1 ZINC000041086303 569837161 /nfs/dbraw/zinc/83/71/61/569837161.db2.gz CQNWSKMKXBINQA-UHFFFAOYSA-N 0 0 472.983 4.753 40 0 JJABRN CSc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4ccc(C)cc4n3)s2)c1 ZINC000041086247 569837186 /nfs/dbraw/zinc/83/71/86/569837186.db2.gz HGJPCSPCHXIIJS-UHFFFAOYSA-N 0 0 470.605 4.513 40 0 JJABRN Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1Br ZINC000103715661 569837351 /nfs/dbraw/zinc/83/73/51/569837351.db2.gz NAAZHAQPPGAKET-GFCCVEGCSA-N 0 0 452.146 4.512 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@H]1c1ccc(OC)cc1 ZINC000103828336 569838137 /nfs/dbraw/zinc/83/81/37/569838137.db2.gz PKDKBZRDULXFOL-QHCPKHFHSA-N 0 0 467.591 4.521 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@H]1c1cc(OC)ccc1OC ZINC000103828745 569838224 /nfs/dbraw/zinc/83/82/24/569838224.db2.gz VREHIDNXIYCPJM-DEOSSOPVSA-N 0 0 497.617 4.530 40 0 JJABRN Cc1ccc(SCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044791997 569838872 /nfs/dbraw/zinc/83/88/72/569838872.db2.gz FKXBZMSULYYBJI-UHFFFAOYSA-N 0 0 468.644 4.716 40 0 JJABRN Cc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1Br ZINC000044791685 569838894 /nfs/dbraw/zinc/83/88/94/569838894.db2.gz ATUVFPLZCZVLLM-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000044792088 569838993 /nfs/dbraw/zinc/83/89/93/569838993.db2.gz QKDDMJUILGGIFF-UHFFFAOYSA-N 0 0 468.644 4.548 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000044802764 569839192 /nfs/dbraw/zinc/83/91/92/569839192.db2.gz KRTBZISPZKNWDC-UHFFFAOYSA-N 0 0 498.670 4.557 40 0 JJABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3C(=O)O[C@]4(C)[C@@H]5[C@@H](C)[C@@H]([C@H]6CC[C@@H](C)CO6)O[C@H]5C[C@H]4[C@H]3CC[C@H]2C1 ZINC000104207886 569843105 /nfs/dbraw/zinc/84/31/05/569843105.db2.gz ZVWYYOFKTBRFSC-QQTOTPLDSA-N 0 0 488.665 4.921 40 0 JJABRN O=C(c1ccco1)C1=C2C(O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 ZINC000049885838 569850157 /nfs/dbraw/zinc/85/01/57/569850157.db2.gz OXPBEFBSORMPCY-MYGLTJDJSA-N 0 0 479.319 4.985 40 0 JJABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c(OC)c1 ZINC000215244205 569877270 /nfs/dbraw/zinc/87/72/70/569877270.db2.gz JIHJIEJJFLEAIK-RQZCQDPDSA-N 0 0 481.311 4.545 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@H]5Sc6[nH]c(=O)sc6[C@H](c6ccccc6C)[C@@H]54)[C@H]3C2=O)cc1 ZINC000106600527 569854384 /nfs/dbraw/zinc/85/43/84/569854384.db2.gz VCYGCBBCDCTNDH-CHRBLHIJSA-N 0 0 488.634 4.731 40 0 JJABRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000106681029 569854511 /nfs/dbraw/zinc/85/45/11/569854511.db2.gz PUYFLZASTBUKDH-HAHDFKILSA-N 0 0 474.538 4.949 40 0 JJABRN COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1I ZINC000106696385 569854681 /nfs/dbraw/zinc/85/46/81/569854681.db2.gz MGTHZUUKXLXXPS-SXGWCWSVSA-N 0 0 469.275 4.675 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC ZINC000106697828 569854732 /nfs/dbraw/zinc/85/47/32/569854732.db2.gz NDEWWUWQMXTJAR-ZDLGFXPLSA-N 0 0 479.913 4.666 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(Cl)c1O ZINC000106738784 569855320 /nfs/dbraw/zinc/85/53/20/569855320.db2.gz IEZQQNKFWXMUNS-XRVIQIRUSA-N 0 0 454.287 4.673 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000107571176 569856577 /nfs/dbraw/zinc/85/65/77/569856577.db2.gz FIGAASCJGRCRKR-KRWDZBQOSA-N 0 0 481.622 4.652 40 0 JJABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000107583184 569856650 /nfs/dbraw/zinc/85/66/50/569856650.db2.gz AWCNBOKJYXDKSP-UHFFFAOYSA-N 0 0 466.603 4.704 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000107716385 569857079 /nfs/dbraw/zinc/85/70/79/569857079.db2.gz LZCJHOZRTHBZAV-QGZVFWFLSA-N 0 0 488.993 4.714 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000107716381 569857094 /nfs/dbraw/zinc/85/70/94/569857094.db2.gz LZCJHOZRTHBZAV-KRWDZBQOSA-N 0 0 488.993 4.714 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000107733102 569857145 /nfs/dbraw/zinc/85/71/45/569857145.db2.gz MWJMXHAJSFBTBA-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000107752063 569857282 /nfs/dbraw/zinc/85/72/82/569857282.db2.gz HKXHMRBJOCIEIS-GOSISDBHSA-N 0 0 495.649 4.581 40 0 JJABRN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000107795013 569857391 /nfs/dbraw/zinc/85/73/91/569857391.db2.gz ODEVCHMNKHLUHN-HNNXBMFYSA-N 0 0 487.423 4.835 40 0 JJABRN CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O ZINC000107935429 569857969 /nfs/dbraw/zinc/85/79/69/569857969.db2.gz ZZFKJGGIOAJLAA-LDADJPATSA-N 0 0 481.412 4.533 40 0 JJABRN CCc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(OC)cc3)C(C)C)n2CC)cc1 ZINC000107933599 569857986 /nfs/dbraw/zinc/85/79/86/569857986.db2.gz HLSFKEPHXXXELP-QHCPKHFHSA-N 0 0 495.649 4.727 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1 ZINC000108011827 569858296 /nfs/dbraw/zinc/85/82/96/569858296.db2.gz XEZHBAPBSOIABU-OAHLLOKOSA-N 0 0 462.930 4.536 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)n1C ZINC000108044833 569858388 /nfs/dbraw/zinc/85/83/88/569858388.db2.gz XRCHYXHFWSNQKG-QFIPXVFZSA-N 0 0 495.649 4.552 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000108047628 569858437 /nfs/dbraw/zinc/85/84/37/569858437.db2.gz MJLNJBKYAOLPMS-QHCPKHFHSA-N 0 0 463.559 4.780 40 0 JJABRN CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000108057635 569858466 /nfs/dbraw/zinc/85/84/66/569858466.db2.gz NRYLAPIPMDUALH-IBGZPJMESA-N 0 0 498.480 4.883 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000108071387 569858505 /nfs/dbraw/zinc/85/85/05/569858505.db2.gz FOIRSWSVLVUDLE-GFCCVEGCSA-N 0 0 496.395 4.966 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000108077046 569858522 /nfs/dbraw/zinc/85/85/22/569858522.db2.gz VBICWMDFSDVLOE-INIZCTEOSA-N 0 0 472.014 4.790 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1)c1ccccc1 ZINC000108188764 569858991 /nfs/dbraw/zinc/85/89/91/569858991.db2.gz AWJZILPFMYTDSP-AWEZNQCLSA-N 0 0 480.920 4.675 40 0 JJABRN CC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000108887381 569859760 /nfs/dbraw/zinc/85/97/60/569859760.db2.gz 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COc1ccc([C@H](CC(C)C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000222584484 569886329 /nfs/dbraw/zinc/88/63/29/569886329.db2.gz LKJZIKMYNRDVLA-QHCPKHFHSA-N 0 0 460.640 4.762 40 0 JJABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)c(Cl)c1O ZINC000222589985 569886503 /nfs/dbraw/zinc/88/65/03/569886503.db2.gz LBZKSLJSEJVOOC-RWJJJZRFSA-N 0 0 454.777 4.801 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc3ccccc32)cc1 ZINC000222624875 569887187 /nfs/dbraw/zinc/88/71/87/569887187.db2.gz OBXMLAMEPPFVNX-XHPQRKPJSA-N 0 0 454.526 4.961 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000222641471 569887547 /nfs/dbraw/zinc/88/75/47/569887547.db2.gz OUXNIGTUIGOUQU-HSZRJFAPSA-N 0 0 483.381 4.517 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)C)c(Br)c1 ZINC000222642037 569887638 /nfs/dbraw/zinc/88/76/38/569887638.db2.gz VLTJPPJXLFBYPZ-NRFANRHFSA-N 0 0 493.417 4.861 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1C ZINC000222642686 569887643 /nfs/dbraw/zinc/88/76/43/569887643.db2.gz LJOXQZHBYQJZLP-DEOSSOPVSA-N 0 0 479.418 4.686 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222666951 569888037 /nfs/dbraw/zinc/88/80/37/569888037.db2.gz XURDVKVTMWQHMI-CQSZACIVSA-N 0 0 457.785 4.969 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222670212 569888165 /nfs/dbraw/zinc/88/81/65/569888165.db2.gz HDSKDPCSVBNMSG-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC)cc1OCC ZINC000222674108 569888198 /nfs/dbraw/zinc/88/81/98/569888198.db2.gz SATJUDLQENKLKF-MRXNPFEDSA-N 0 0 481.420 4.887 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000222677486 569888254 /nfs/dbraw/zinc/88/82/54/569888254.db2.gz AXZIGFFOQLQZED-LFTLAFEGSA-N 0 0 464.587 4.674 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222683201 569888404 /nfs/dbraw/zinc/88/84/04/569888404.db2.gz HCBKOLCRUPJFST-VWLOTQADSA-N 0 0 493.445 4.995 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 ZINC000222689899 569888624 /nfs/dbraw/zinc/88/86/24/569888624.db2.gz BQMNATAMQPHMLU-DEOSSOPVSA-N 0 0 495.417 4.522 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222689140 569888638 /nfs/dbraw/zinc/88/86/38/569888638.db2.gz GIXBOYSPNQGJGU-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222697756 569888884 /nfs/dbraw/zinc/88/88/84/569888884.db2.gz FJFJMLDDCZXZDU-FQEVSTJZSA-N 0 0 466.603 4.639 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222700503 569888940 /nfs/dbraw/zinc/88/89/40/569888940.db2.gz ZBLOBGXSWWSXMQ-HXUWFJFHSA-N 0 0 479.404 4.987 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222713163 569889314 /nfs/dbraw/zinc/88/93/14/569889314.db2.gz VMLGGHZFKQNGGV-HHHXNRCGSA-N 0 0 492.591 4.625 40 0 JJABRN Cc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222712629 569889336 /nfs/dbraw/zinc/88/93/36/569889336.db2.gz INZUYQDIYNOVKB-SANMLTNESA-N 0 0 476.592 4.925 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222715132 569889365 /nfs/dbraw/zinc/88/93/65/569889365.db2.gz KUSZRFRNCQAFFN-CQSZACIVSA-N 0 0 457.785 4.969 40 0 JJABRN CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000222727978 569889677 /nfs/dbraw/zinc/88/96/77/569889677.db2.gz NBBUIDUIXXEOJG-UHFFFAOYSA-N 0 0 496.482 4.683 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1)S(C)(=O)=O ZINC000222730721 569889736 /nfs/dbraw/zinc/88/97/36/569889736.db2.gz USOZWKCCILIZJU-FQEVSTJZSA-N 0 0 494.613 4.532 40 0 JJABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)S(C)(=O)=O)c1 ZINC000222730819 569889757 /nfs/dbraw/zinc/88/97/57/569889757.db2.gz AVOQNPVKYLEFEE-FQEVSTJZSA-N 0 0 494.613 4.532 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000222743583 569890111 /nfs/dbraw/zinc/89/01/11/569890111.db2.gz OXWONIQZUGBCOB-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 ZINC000222750067 569890184 /nfs/dbraw/zinc/89/01/84/569890184.db2.gz FHRIDUPSICJMQU-SANMLTNESA-N 0 0 480.555 4.756 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000222749871 569890188 /nfs/dbraw/zinc/89/01/88/569890188.db2.gz WYZPLMHEKSYEMI-RUZDIDTESA-N 0 0 480.555 4.756 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222751185 569890227 /nfs/dbraw/zinc/89/02/27/569890227.db2.gz ZDWZHEJRDXYGFW-FQEVSTJZSA-N 0 0 466.603 4.639 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000222751819 569890233 /nfs/dbraw/zinc/89/02/33/569890233.db2.gz OZSIJGYAVYLBGN-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000222751731 569890271 /nfs/dbraw/zinc/89/02/71/569890271.db2.gz ZSTJOAJQJKFRRV-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222752667 569890293 /nfs/dbraw/zinc/89/02/93/569890293.db2.gz YCTABKVYXHAOBC-AREMUKBSSA-N 0 0 462.565 4.617 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000222753009 569890316 /nfs/dbraw/zinc/89/03/16/569890316.db2.gz SDOGZNLMRZLEOT-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000222762176 569890489 /nfs/dbraw/zinc/89/04/89/569890489.db2.gz PBORQPRYWVAFFW-PKTZIBPZSA-N 0 0 488.650 4.829 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC)cc1OCC ZINC000222769194 569890604 /nfs/dbraw/zinc/89/06/04/569890604.db2.gz OTXPATVVNPLCRW-MRXNPFEDSA-N 0 0 481.420 4.887 40 0 JJABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222771723 569890672 /nfs/dbraw/zinc/89/06/72/569890672.db2.gz BOPXPDBLKMXTNY-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222771656 569890686 /nfs/dbraw/zinc/89/06/86/569890686.db2.gz BOPXPDBLKMXTNY-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222774291 569890733 /nfs/dbraw/zinc/89/07/33/569890733.db2.gz YXFSJZVZSDZCKI-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1 ZINC000222781457 569890896 /nfs/dbraw/zinc/89/08/96/569890896.db2.gz QMTNHBUEKPZCLZ-UHFFFAOYSA-N 0 0 480.483 4.665 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000222779751 569890914 /nfs/dbraw/zinc/89/09/14/569890914.db2.gz AAQJMRVOEDQSPH-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000222783196 569890942 /nfs/dbraw/zinc/89/09/42/569890942.db2.gz FMMBBFBLKXRPDB-CQSZACIVSA-N 0 0 457.423 4.589 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000222788816 569891097 /nfs/dbraw/zinc/89/10/97/569891097.db2.gz XMQVJJMHMJDYNR-VWLOTQADSA-N 0 0 480.555 4.756 40 0 JJABRN Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222788433 569891107 /nfs/dbraw/zinc/89/11/07/569891107.db2.gz JBFNVIYNGRNKJA-HHHXNRCGSA-N 0 0 476.592 4.925 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 ZINC000222788889 569891126 /nfs/dbraw/zinc/89/11/26/569891126.db2.gz JLJOMJWWIBWYFR-AREMUKBSSA-N 0 0 480.555 4.756 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000222791318 569891179 /nfs/dbraw/zinc/89/11/79/569891179.db2.gz AZNIIJFKWQHTTJ-AREMUKBSSA-N 0 0 464.556 4.920 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000222798555 569891364 /nfs/dbraw/zinc/89/13/64/569891364.db2.gz DWSLKLFMKHIEJI-LJQANCHMSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222798700 569891381 /nfs/dbraw/zinc/89/13/81/569891381.db2.gz WVHZAJVVIKJOIK-HXUWFJFHSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222798641 569891398 /nfs/dbraw/zinc/89/13/98/569891398.db2.gz WVHZAJVVIKJOIK-FQEVSTJZSA-N 0 0 455.357 4.843 40 0 JJABRN C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222806434 569891572 /nfs/dbraw/zinc/89/15/72/569891572.db2.gz POMOWSYQKPGKIP-CQSZACIVSA-N 0 0 451.375 4.618 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccccc2)cc1OC ZINC000222806913 569891576 /nfs/dbraw/zinc/89/15/76/569891576.db2.gz PQKQTUYLUZDSHD-LJQANCHMSA-N 0 0 480.992 4.633 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000222806720 569891582 /nfs/dbraw/zinc/89/15/82/569891582.db2.gz JFEBELKRAARPCA-UHFFFAOYSA-N 0 0 476.948 4.566 40 0 JJABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000222818257 569891885 /nfs/dbraw/zinc/89/18/85/569891885.db2.gz AOLQUFMRIUDXEV-MRXNPFEDSA-N 0 0 488.993 4.957 40 0 JJABRN Cc1cccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000222824948 569892020 /nfs/dbraw/zinc/89/20/20/569892020.db2.gz ZDVVDGFEKRUYPS-UHFFFAOYSA-N 0 0 471.022 4.981 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222833345 569892179 /nfs/dbraw/zinc/89/21/79/569892179.db2.gz OUSHMRXEVNSJTQ-HSZRJFAPSA-N 0 0 461.002 4.840 40 0 JJABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222838981 569892318 /nfs/dbraw/zinc/89/23/18/569892318.db2.gz NKVMVVGWOORNSB-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1OC ZINC000222839280 569892340 /nfs/dbraw/zinc/89/23/40/569892340.db2.gz RQFRMWHYAVJFCD-HXUWFJFHSA-N 0 0 495.019 4.676 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1cc(C(F)(F)F)ccc1Cl ZINC000222840959 569892414 /nfs/dbraw/zinc/89/24/14/569892414.db2.gz AVGXBMMASFEDRJ-UHFFFAOYSA-N 0 0 470.900 4.594 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222841534 569892441 /nfs/dbraw/zinc/89/24/41/569892441.db2.gz KSNQUASPPBYQRG-UHFFFAOYSA-N 0 0 462.546 4.799 40 0 JJABRN CCCSc1nnc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000222846519 569892559 /nfs/dbraw/zinc/89/25/59/569892559.db2.gz FFFXDZZHKUALDS-UHFFFAOYSA-N 0 0 497.067 4.836 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000222848673 569892593 /nfs/dbraw/zinc/89/25/93/569892593.db2.gz INJZBVOBBPFWTL-UHFFFAOYSA-N 0 0 460.555 4.604 40 0 JJABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222848381 569892599 /nfs/dbraw/zinc/89/25/99/569892599.db2.gz ZWALGUDHGQNUCF-QGZVFWFLSA-N 0 0 499.394 4.998 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1 ZINC000222851381 569892702 /nfs/dbraw/zinc/89/27/02/569892702.db2.gz AHCMMZASTBYBFH-FQEVSTJZSA-N 0 0 480.992 4.504 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000222851815 569892734 /nfs/dbraw/zinc/89/27/34/569892734.db2.gz UFOVCFXNGPYRTN-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000222852079 569892750 /nfs/dbraw/zinc/89/27/50/569892750.db2.gz VXEORZAUFVUJEE-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222851953 569892788 /nfs/dbraw/zinc/89/27/88/569892788.db2.gz IBSQYJFBMCAVPD-CQSZACIVSA-N 0 0 451.375 4.618 40 0 JJABRN C[C@@H](C(=O)NCc1cccc2ccccc21)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222882529 569893447 /nfs/dbraw/zinc/89/34/47/569893447.db2.gz BFFMUSXQZCZSLT-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000222882573 569893487 /nfs/dbraw/zinc/89/34/87/569893487.db2.gz BLGRMWBXDKVULD-AREMUKBSSA-N 0 0 476.642 4.623 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000222884112 569893494 /nfs/dbraw/zinc/89/34/94/569893494.db2.gz HRMPGQVATVTMGS-SANMLTNESA-N 0 0 474.601 4.584 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222885971 569893571 /nfs/dbraw/zinc/89/35/71/569893571.db2.gz PEEWPVLGFDZSIG-JOCHJYFZSA-N 0 0 461.002 4.676 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222885687 569893572 /nfs/dbraw/zinc/89/35/72/569893572.db2.gz QRMPCRUDOJPXST-XMMPIXPASA-N 0 0 485.411 4.931 40 0 JJABRN CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000222893360 569893778 /nfs/dbraw/zinc/89/37/78/569893778.db2.gz IDGVAQWJHOCEQC-UHFFFAOYSA-N 0 0 466.578 4.558 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222898041 569893892 /nfs/dbraw/zinc/89/38/92/569893892.db2.gz VVYYUMQAJKWKFI-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222912211 569894176 /nfs/dbraw/zinc/89/41/76/569894176.db2.gz VUBJXNPVYFLENF-IBGZPJMESA-N 0 0 466.578 4.777 40 0 JJABRN C[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921707 569894418 /nfs/dbraw/zinc/89/44/18/569894418.db2.gz MONPIAIJUVQIMI-AWEZNQCLSA-N 0 0 488.959 4.881 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccc(C)cc1 ZINC000222926630 569894568 /nfs/dbraw/zinc/89/45/68/569894568.db2.gz SBDKJOIESJTUTD-NRFANRHFSA-N 0 0 492.641 4.955 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222929808 569894683 /nfs/dbraw/zinc/89/46/83/569894683.db2.gz JUDGVEYEJFDCDL-CQSZACIVSA-N 0 0 455.407 4.516 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222934673 569894867 /nfs/dbraw/zinc/89/48/67/569894867.db2.gz VRKBLYDVVGCKMU-FQEVSTJZSA-N 0 0 495.845 4.856 40 0 JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222938388 569894964 /nfs/dbraw/zinc/89/49/64/569894964.db2.gz ZSTAJARZCQCJRA-LSDHHAIUSA-N 0 0 469.434 4.904 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000222941545 569895077 /nfs/dbraw/zinc/89/50/77/569895077.db2.gz IPVYGKIFJMUDDR-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222941626 569895097 /nfs/dbraw/zinc/89/50/97/569895097.db2.gz WFYRPRLOCYNWRC-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN O=C(NCCc1ccccc1)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000222944913 569895119 /nfs/dbraw/zinc/89/51/19/569895119.db2.gz WYUGLMGRWMYZMI-JOCHJYFZSA-N 0 0 455.341 4.760 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222944927 569895122 /nfs/dbraw/zinc/89/51/22/569895122.db2.gz WEFPQKNTTMXFTH-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000222946176 569895170 /nfs/dbraw/zinc/89/51/70/569895170.db2.gz GYAAUDJKNYFRDS-MTJSOVHGSA-N 0 0 466.603 4.621 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222955476 569895414 /nfs/dbraw/zinc/89/54/14/569895414.db2.gz SGQROJJIDQXPGA-HXUWFJFHSA-N 0 0 480.992 4.504 40 0 JJABRN Cc1cccc(N(CCCC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1C ZINC000222964144 569895600 /nfs/dbraw/zinc/89/56/00/569895600.db2.gz BRCGOTSOFHRQDW-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222964835 569895631 /nfs/dbraw/zinc/89/56/31/569895631.db2.gz AEKUKZVKPGNTCR-SFHVURJKSA-N 0 0 475.054 4.638 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 ZINC000222967097 569895675 /nfs/dbraw/zinc/89/56/75/569895675.db2.gz HKTIOTBHWUCMQS-HXUWFJFHSA-N 0 0 462.587 4.571 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222971379 569895818 /nfs/dbraw/zinc/89/58/18/569895818.db2.gz ILOFVJABHUDHIN-INIZCTEOSA-N 0 0 479.390 4.644 40 0 JJABRN Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CN2S(=O)(=O)c1ccccc1 ZINC000222973039 569895882 /nfs/dbraw/zinc/89/58/82/569895882.db2.gz AHILIFZNDKSDEY-DCFHFQCYSA-N 0 0 490.625 4.708 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222976182 569895950 /nfs/dbraw/zinc/89/59/50/569895950.db2.gz SNGAVMHKSLRUPP-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222982148 569896069 /nfs/dbraw/zinc/89/60/69/569896069.db2.gz UJOUICNTUYGPKT-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222982249 569896074 /nfs/dbraw/zinc/89/60/74/569896074.db2.gz UWFWFVOTJGTKKQ-AWEZNQCLSA-N 0 0 455.357 4.843 40 0 JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000222984966 569896154 /nfs/dbraw/zinc/89/61/54/569896154.db2.gz KQHFMTCLLVFJRK-LSDHHAIUSA-N 0 0 469.434 4.904 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222985277 569896189 /nfs/dbraw/zinc/89/61/89/569896189.db2.gz XXJPUTYSAFZQKJ-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222986796 569896227 /nfs/dbraw/zinc/89/62/27/569896227.db2.gz SBHBMUWHXHUMTC-OAQYLSRUSA-N 0 0 471.601 4.914 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222987059 569896242 /nfs/dbraw/zinc/89/62/42/569896242.db2.gz SEYPFTHEOHSYFP-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000222988945 569896289 /nfs/dbraw/zinc/89/62/89/569896289.db2.gz WLPRFDDYXDTCBY-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222987861 569896303 /nfs/dbraw/zinc/89/63/03/569896303.db2.gz CMAKCCIVCDKUFO-SBUREZEXSA-N 0 0 463.043 4.949 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000222988773 569896308 /nfs/dbraw/zinc/89/63/08/569896308.db2.gz LDPWAGQZWYHIKX-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222991400 569896386 /nfs/dbraw/zinc/89/63/86/569896386.db2.gz HYOJKISNQSSGJT-HHHXNRCGSA-N 0 0 458.602 4.650 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222996926 569896517 /nfs/dbraw/zinc/89/65/17/569896517.db2.gz YUQPMIYLIUWPGI-LJQANCHMSA-N 0 0 480.992 4.633 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1Cl ZINC000223009511 569896725 /nfs/dbraw/zinc/89/67/25/569896725.db2.gz HRALNJBOKSUJFU-UHFFFAOYSA-N 0 0 486.977 4.751 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(=O)(=O)c1ccc(C)cc1 ZINC000223014082 569896863 /nfs/dbraw/zinc/89/68/63/569896863.db2.gz FQBUDWIZQJHHLB-UHFFFAOYSA-N 0 0 492.626 4.910 40 0 JJABRN COc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223016119 569896895 /nfs/dbraw/zinc/89/68/95/569896895.db2.gz JVUPMAGUFMNPKC-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223021719 569896983 /nfs/dbraw/zinc/89/69/83/569896983.db2.gz SKMRSYWBYQINLR-QGZVFWFLSA-N 0 0 461.400 4.505 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000223021934 569896985 /nfs/dbraw/zinc/89/69/85/569896985.db2.gz XGAIGLWMVTWPMR-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223022944 569897043 /nfs/dbraw/zinc/89/70/43/569897043.db2.gz LMFNQYSJWUFNTJ-NDEPHWFRSA-N 0 0 488.628 4.795 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223023289 569897059 /nfs/dbraw/zinc/89/70/59/569897059.db2.gz NRDSTKJEFNLTKM-AREMUKBSSA-N 0 0 492.591 4.625 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223024449 569897064 /nfs/dbraw/zinc/89/70/64/569897064.db2.gz YVIMUESBRIXGRL-HHHXNRCGSA-N 0 0 476.592 4.789 40 0 JJABRN COc1cccc(CN(C(=O)Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025638 569897132 /nfs/dbraw/zinc/89/71/32/569897132.db2.gz FREPOJRYEDBWJH-MUUNZHRXSA-N 0 0 472.629 4.958 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(C)c1 ZINC000223030278 569897292 /nfs/dbraw/zinc/89/72/92/569897292.db2.gz SBLFENZCJDRVOH-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223031239 569897316 /nfs/dbraw/zinc/89/73/16/569897316.db2.gz IUGPCSVVFPAYMQ-QZTJIDSGSA-N 0 0 463.043 4.914 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1C ZINC000223035155 569897407 /nfs/dbraw/zinc/89/74/07/569897407.db2.gz NUQKOQXTIYKGQZ-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN COc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223059263 569898031 /nfs/dbraw/zinc/89/80/31/569898031.db2.gz HBPKHIQUZCCNEQ-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223059032 569898058 /nfs/dbraw/zinc/89/80/58/569898058.db2.gz BTNFFFDEXHLEJL-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc2c(c1)CCCC2 ZINC000223060136 569898080 /nfs/dbraw/zinc/89/80/80/569898080.db2.gz LOHRSEOKLSMYQE-LJQANCHMSA-N 0 0 485.387 4.608 40 0 JJABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccc2c(c1)CCCC2 ZINC000223060189 569898099 /nfs/dbraw/zinc/89/80/99/569898099.db2.gz LOHRSEOKLSMYQE-IBGZPJMESA-N 0 0 485.387 4.608 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223064336 569898265 /nfs/dbraw/zinc/89/82/65/569898265.db2.gz CVFSVCYHXNVIAY-NDEPHWFRSA-N 0 0 463.581 4.581 40 0 JJABRN CC[C@@H](NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223065415 569898298 /nfs/dbraw/zinc/89/82/98/569898298.db2.gz VQKHKQWMQHPPTB-RUZDIDTESA-N 0 0 456.652 4.996 40 0 JJABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000223065221 569898302 /nfs/dbraw/zinc/89/83/02/569898302.db2.gz RSUQNIGKYKDQHV-NHCUHLMSSA-N 0 0 471.424 4.644 40 0 JJABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000223065165 569898327 /nfs/dbraw/zinc/89/83/27/569898327.db2.gz RSUQNIGKYKDQHV-LEWJYISDSA-N 0 0 471.424 4.644 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223066227 569898340 /nfs/dbraw/zinc/89/83/40/569898340.db2.gz QZMVBJLGKXFVNI-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223071702 569898542 /nfs/dbraw/zinc/89/85/42/569898542.db2.gz OOBADGHNDRBFHL-MSOLQXFVSA-N 0 0 461.002 4.622 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223079727 569898833 /nfs/dbraw/zinc/89/88/33/569898833.db2.gz YCDIHORDKBYNPZ-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C(C)C ZINC000223080727 569898912 /nfs/dbraw/zinc/89/89/12/569898912.db2.gz CKOCLYQJWNEDBP-KRWDZBQOSA-N 0 0 461.400 4.505 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000223086807 569899032 /nfs/dbraw/zinc/89/90/32/569899032.db2.gz AHEOGBJBFWYAII-HXUWFJFHSA-N 0 0 484.637 4.757 40 0 JJABRN COc1ccccc1N(CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223086592 569899043 /nfs/dbraw/zinc/89/90/43/569899043.db2.gz FRWNAISFIZPZMO-UHFFFAOYSA-N 0 0 464.893 4.552 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223091815 569899182 /nfs/dbraw/zinc/89/91/82/569899182.db2.gz JEBZMDBWVPLRGX-LJQANCHMSA-N 0 0 454.611 4.704 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223093287 569899283 /nfs/dbraw/zinc/89/92/83/569899283.db2.gz UVCDBGJUIGJUBL-NRFANRHFSA-N 0 0 483.406 4.843 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223108463 569899660 /nfs/dbraw/zinc/89/96/60/569899660.db2.gz MABCBDXLIXHNIQ-HHHXNRCGSA-N 0 0 491.591 4.576 40 0 JJABRN CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000223116972 569899898 /nfs/dbraw/zinc/89/98/98/569899898.db2.gz GXKBMTZODAMLDR-DQEYMECFSA-N 0 0 472.651 4.776 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223118759 569899949 /nfs/dbraw/zinc/89/99/49/569899949.db2.gz LBOPTTDJSPTCDH-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223119374 569899966 /nfs/dbraw/zinc/89/99/66/569899966.db2.gz SLOJKNHNJCPRNJ-MHZLTWQESA-N 0 0 458.602 4.965 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000223119917 569900032 /nfs/dbraw/zinc/90/00/32/569900032.db2.gz UGJRBGKVPWYRCV-UHFFFAOYSA-N 0 0 497.488 4.976 40 0 JJABRN CCOc1ccccc1N(CCCC(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000223119461 569900039 /nfs/dbraw/zinc/90/00/39/569900039.db2.gz KXCJMXWMUXHZOQ-QHCPKHFHSA-N 0 0 472.651 4.778 40 0 JJABRN CC[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223120487 569900065 /nfs/dbraw/zinc/90/00/65/569900065.db2.gz VERYVIMVTIOWSQ-HSZRJFAPSA-N 0 0 464.578 4.657 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223122053 569900114 /nfs/dbraw/zinc/90/01/14/569900114.db2.gz NKMKQFNVLPURFS-INIZCTEOSA-N 0 0 495.845 4.856 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Br ZINC000223121925 569900126 /nfs/dbraw/zinc/90/01/26/569900126.db2.gz CHKBGPCXSWIMTD-GJZGRUSLSA-N 0 0 499.808 4.952 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000223121829 569900130 /nfs/dbraw/zinc/90/01/30/569900130.db2.gz HJWQDTJWWLJNSU-VWLOTQADSA-N 0 0 464.606 4.835 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1Cl ZINC000223124346 569900220 /nfs/dbraw/zinc/90/02/20/569900220.db2.gz KGWMOCTUYDGOOA-HUUCEWRRSA-N 0 0 499.808 4.952 40 0 JJABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000223124234 569900226 /nfs/dbraw/zinc/90/02/26/569900226.db2.gz ZOYHMJQDVXIZSX-FQEVSTJZSA-N 0 0 470.367 4.852 40 0 JJABRN CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000223125068 569900230 /nfs/dbraw/zinc/90/02/30/569900230.db2.gz OQLYLBPSIDYNNS-OAQYLSRUSA-N 0 0 468.638 4.791 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1Cl ZINC000223124458 569900235 /nfs/dbraw/zinc/90/02/35/569900235.db2.gz KGWMOCTUYDGOOA-CABCVRRESA-N 0 0 499.808 4.952 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223131776 569900538 /nfs/dbraw/zinc/90/05/38/569900538.db2.gz WFOJAZPUGZYFFS-SFHVURJKSA-N 0 0 456.995 4.975 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223133914 569900600 /nfs/dbraw/zinc/90/06/00/569900600.db2.gz ASBLDMZMUCQXPI-DEOSSOPVSA-N 0 0 459.030 4.867 40 0 JJABRN COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223138547 569900751 /nfs/dbraw/zinc/90/07/51/569900751.db2.gz WIPHDQQZIYFMOJ-AREMUKBSSA-N 0 0 479.020 4.675 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223144016 569901042 /nfs/dbraw/zinc/90/10/42/569901042.db2.gz KKOJHAJNYOHKEF-DLBZAZTESA-N 0 0 463.441 4.873 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSc2ccc(C)cc2)cc1 ZINC000223156753 569901357 /nfs/dbraw/zinc/90/13/57/569901357.db2.gz OFZGSPGHPSUFAX-JWGURIENSA-N 0 0 452.601 4.745 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223158972 569901501 /nfs/dbraw/zinc/90/15/01/569901501.db2.gz UFKUORMBGOEOPU-NRFANRHFSA-N 0 0 462.615 4.865 40 0 JJABRN C[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223159563 569901514 /nfs/dbraw/zinc/90/15/14/569901514.db2.gz NIKMRSDFNJUICA-SFHVURJKSA-N 0 0 469.006 4.901 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 ZINC000223161432 569901548 /nfs/dbraw/zinc/90/15/48/569901548.db2.gz QXDRAQSQBOQRRH-SFHVURJKSA-N 0 0 499.032 4.910 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl ZINC000223164924 569901624 /nfs/dbraw/zinc/90/16/24/569901624.db2.gz QKYMKDDWEGVIAF-XMMPIXPASA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl ZINC000223164982 569901655 /nfs/dbraw/zinc/90/16/55/569901655.db2.gz QKYMKDDWEGVIAF-DEOSSOPVSA-N 0 0 464.993 4.803 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c2ccc(Cl)cc2)cc1 ZINC000223172799 569902017 /nfs/dbraw/zinc/90/20/17/569902017.db2.gz VDRNOFWNUDXWGT-SFHVURJKSA-N 0 0 499.032 4.910 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC)c(Br)c1 ZINC000223182400 569902478 /nfs/dbraw/zinc/90/24/78/569902478.db2.gz OEHIKUMRFKUBFR-IBGZPJMESA-N 0 0 481.818 4.597 40 0 JJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223194412 569902880 /nfs/dbraw/zinc/90/28/80/569902880.db2.gz YGPLCYJMYJCBDV-SANMLTNESA-N 0 0 462.565 4.543 40 0 JJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1OC ZINC000223199741 569903155 /nfs/dbraw/zinc/90/31/55/569903155.db2.gz CPOOTQIWRJHFCT-RUZDIDTESA-N 0 0 462.565 4.891 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1CCCN1CCOCC1 ZINC000223198960 569903180 /nfs/dbraw/zinc/90/31/80/569903180.db2.gz XGPDCRZOGOGDOJ-DNQXCXABSA-N 0 0 480.659 4.521 40 0 JJABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000223200758 569903280 /nfs/dbraw/zinc/90/32/80/569903280.db2.gz NPSWFDQMQLPMJH-JWGURIENSA-N 0 0 459.571 4.901 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000223203224 569903285 /nfs/dbraw/zinc/90/32/85/569903285.db2.gz TZCGGUYAEKYCHI-IAGOWNOFSA-N 0 0 463.441 4.873 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223202471 569903301 /nfs/dbraw/zinc/90/33/01/569903301.db2.gz KEXISNZCOFTXPM-INIZCTEOSA-N 0 0 495.472 4.901 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223204105 569903367 /nfs/dbraw/zinc/90/33/67/569903367.db2.gz GMGZOHCJOCOPHN-DQEYMECFSA-N 0 0 497.064 4.998 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc2c(c1)CCC2 ZINC000223204261 569903404 /nfs/dbraw/zinc/90/34/04/569903404.db2.gz ZFTTYLGRZLHGEW-NSYGIPOTSA-N 0 0 497.016 4.662 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223213202 569903722 /nfs/dbraw/zinc/90/37/22/569903722.db2.gz MWCWMRIQMLIQCP-AREMUKBSSA-N 0 0 497.010 4.814 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1)c1ccc2c(c1)CCC2 ZINC000223222901 569903981 /nfs/dbraw/zinc/90/39/81/569903981.db2.gz SWTCMMURNAXSTK-GKVSMKOHSA-N 0 0 497.016 4.662 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223224611 569904008 /nfs/dbraw/zinc/90/40/08/569904008.db2.gz SBNQYGDOPUWVKC-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223229438 569904257 /nfs/dbraw/zinc/90/42/57/569904257.db2.gz GJEJLIDZICFASU-INIZCTEOSA-N 0 0 483.339 4.873 40 0 JJABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223235768 569904432 /nfs/dbraw/zinc/90/44/32/569904432.db2.gz BQZZHJGSBILBJC-ZIAGYGMSSA-N 0 0 455.407 4.514 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000223237789 569904482 /nfs/dbraw/zinc/90/44/82/569904482.db2.gz DXCVMTZPLTVAGZ-UHFFFAOYSA-N 0 0 471.406 4.748 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223237336 569904500 /nfs/dbraw/zinc/90/45/00/569904500.db2.gz VGRQITHYMWMUNJ-LHSJRXKWSA-N 0 0 469.434 4.904 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223238602 569904527 /nfs/dbraw/zinc/90/45/27/569904527.db2.gz DPKQUCUPDWFQRV-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1Cl ZINC000223237668 569904533 /nfs/dbraw/zinc/90/45/33/569904533.db2.gz AQGWOSHDRYBUNS-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)S(C)(=O)=O ZINC000223240218 569904578 /nfs/dbraw/zinc/90/45/78/569904578.db2.gz JQROHFUMJHFQRY-UHFFFAOYSA-N 0 0 478.599 4.732 40 0 JJABRN C[C@H](NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223240525 569904608 /nfs/dbraw/zinc/90/46/08/569904608.db2.gz HJCBVOBVBNQJFZ-HNNXBMFYSA-N 0 0 469.434 4.906 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000223240925 569904631 /nfs/dbraw/zinc/90/46/31/569904631.db2.gz WGBXTPONNZMKLZ-ZWKOTPCHSA-N 0 0 475.427 4.722 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223255021 569905092 /nfs/dbraw/zinc/90/50/92/569905092.db2.gz FZOCJHYDFHVEBY-DEOSSOPVSA-N 0 0 454.611 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223258261 569905129 /nfs/dbraw/zinc/90/51/29/569905129.db2.gz ZNRTWZFHVQBODA-ZEQKJWHPSA-N 0 0 458.602 4.929 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1Cl ZINC000223257350 569905160 /nfs/dbraw/zinc/90/51/60/569905160.db2.gz FJXGRZSJPKTUEV-DEOSSOPVSA-N 0 0 464.993 4.803 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000223258323 569905168 /nfs/dbraw/zinc/90/51/68/569905168.db2.gz ZNRTWZFHVQBODA-JYFHCDHNSA-N 0 0 458.602 4.929 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C ZINC000223258909 569905184 /nfs/dbraw/zinc/90/51/84/569905184.db2.gz YZXUTNDHLYAGEE-AREMUKBSSA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223264932 569905393 /nfs/dbraw/zinc/90/53/93/569905393.db2.gz OBBBUWKGGTZEHJ-KRWDZBQOSA-N 0 0 483.339 4.873 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223259105 569905205 /nfs/dbraw/zinc/90/52/05/569905205.db2.gz ZDEWCIMKOFNLFV-MHZLTWQESA-N 0 0 458.602 4.712 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223262121 569905331 /nfs/dbraw/zinc/90/53/31/569905331.db2.gz PWLSJKNDWJDFDL-AREMUKBSSA-N 0 0 488.628 4.721 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)S(C)(=O)=O)cc1 ZINC000223266528 569905412 /nfs/dbraw/zinc/90/54/12/569905412.db2.gz OSWAFQDUFFBYCN-UHFFFAOYSA-N 0 0 492.641 4.924 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223268273 569905464 /nfs/dbraw/zinc/90/54/64/569905464.db2.gz RLBFYZDUFFBXRD-MHZLTWQESA-N 0 0 458.602 4.794 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223270831 569905592 /nfs/dbraw/zinc/90/55/92/569905592.db2.gz WAXOUUBWHXOGMW-HNNXBMFYSA-N 0 0 499.808 4.954 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223272875 569905692 /nfs/dbraw/zinc/90/56/92/569905692.db2.gz SNNKUKQPBVFMTN-NDEPHWFRSA-N 0 0 488.628 4.659 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC ZINC000223284542 569906125 /nfs/dbraw/zinc/90/61/25/569906125.db2.gz KVKLMJDSEMLUNS-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223290603 569906357 /nfs/dbraw/zinc/90/63/57/569906357.db2.gz HRVSSAXNDRRRLK-NDEPHWFRSA-N 0 0 498.579 4.624 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2cc(C)cc(C)c2)cc1 ZINC000223289830 569906415 /nfs/dbraw/zinc/90/64/15/569906415.db2.gz OWCCDOHJASXNTI-UHFFFAOYSA-N 0 0 490.676 4.798 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223298553 569906553 /nfs/dbraw/zinc/90/65/53/569906553.db2.gz LUZFRXNXZNJPRG-VQTJNVASSA-N 0 0 460.640 4.776 40 0 JJABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223302751 569906669 /nfs/dbraw/zinc/90/66/69/569906669.db2.gz SJDCECGCOOSGIB-GOSISDBHSA-N 0 0 462.921 4.528 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Br ZINC000223305094 569906717 /nfs/dbraw/zinc/90/67/17/569906717.db2.gz IJOLWPAHHFSIHS-CQSZACIVSA-N 0 0 456.402 4.938 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223314716 569907122 /nfs/dbraw/zinc/90/71/22/569907122.db2.gz BGUZDYQCAWCUHL-SFHVURJKSA-N 0 0 488.209 4.688 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223314285 569907145 /nfs/dbraw/zinc/90/71/45/569907145.db2.gz AKUWIRJZASZIMP-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C ZINC000223317488 569907306 /nfs/dbraw/zinc/90/73/06/569907306.db2.gz QTUMVCBFBLXAJP-XMMPIXPASA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C ZINC000223317544 569907317 /nfs/dbraw/zinc/90/73/17/569907317.db2.gz QTUMVCBFBLXAJP-DEOSSOPVSA-N 0 0 464.993 4.803 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223326184 569907630 /nfs/dbraw/zinc/90/76/30/569907630.db2.gz VXMMWGSYGRSPNI-MRXNPFEDSA-N 0 0 479.404 4.988 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 ZINC000223330724 569907783 /nfs/dbraw/zinc/90/77/83/569907783.db2.gz LYCBLEHPASLVML-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223333248 569907911 /nfs/dbraw/zinc/90/79/11/569907911.db2.gz WGYKZIVRMBDOBZ-HTAPYJJXSA-N 0 0 464.603 4.688 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1NC(C)=O ZINC000223345641 569908088 /nfs/dbraw/zinc/90/80/88/569908088.db2.gz HHARUSOYQXGNBG-UHFFFAOYSA-N 0 0 479.476 4.885 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C)cc1 ZINC000223360180 569908605 /nfs/dbraw/zinc/90/86/05/569908605.db2.gz BTSZLQZALGADDD-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(C)c1 ZINC000223360052 569908629 /nfs/dbraw/zinc/90/86/29/569908629.db2.gz PKTNKUZXJRHHBL-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN CCc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000223359931 569908633 /nfs/dbraw/zinc/90/86/33/569908633.db2.gz FZFHYRDGBRXOFJ-OALUTQOASA-N 0 0 460.640 4.721 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccccc1F)S(C)(=O)=O ZINC000223361796 569908741 /nfs/dbraw/zinc/90/87/41/569908741.db2.gz SFSBCJXIRZCQOG-LAUBAEHRSA-N 0 0 464.603 4.688 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1F ZINC000223362903 569908848 /nfs/dbraw/zinc/90/88/48/569908848.db2.gz PNKSJRXMZQCXGY-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN COc1cccc(N(CCCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)c1 ZINC000223364107 569908866 /nfs/dbraw/zinc/90/88/66/569908866.db2.gz QWRFMPHQCVUWAE-IBGZPJMESA-N 0 0 476.639 4.559 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223363830 569908887 /nfs/dbraw/zinc/90/88/87/569908887.db2.gz WTMKTYGSKWWGFU-FQEVSTJZSA-N 0 0 460.640 4.859 40 0 JJABRN CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000223364339 569908955 /nfs/dbraw/zinc/90/89/55/569908955.db2.gz QSPSFIBUFNZIAI-FQEVSTJZSA-N 0 0 490.666 4.949 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223366626 569909049 /nfs/dbraw/zinc/90/90/49/569909049.db2.gz GYWGCIXCLCAYKL-MHZLTWQESA-N 0 0 454.526 4.745 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223371198 569909198 /nfs/dbraw/zinc/90/91/98/569909198.db2.gz QTWFSNKRYIUJAC-KCWPFWIISA-N 0 0 458.602 4.929 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223374059 569909221 /nfs/dbraw/zinc/90/92/21/569909221.db2.gz VQIHGVLNPJPHFT-HNNXBMFYSA-N 0 0 455.357 4.845 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C(C)C ZINC000223388564 569909551 /nfs/dbraw/zinc/90/95/51/569909551.db2.gz IBHGIAPQDYAXJZ-SFHVURJKSA-N 0 0 476.614 4.544 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1C(C)C ZINC000223389107 569909623 /nfs/dbraw/zinc/90/96/23/569909623.db2.gz FMVYFPDFQOSIGQ-RBUKOAKNSA-N 0 0 476.614 4.544 40 0 JJABRN CCCn1c2ccc(S(=O)(=O)N[C@H](C)c3cc(C(C)C)c(OC)cc3C)cc2sc1=O ZINC000223391106 569909640 /nfs/dbraw/zinc/90/96/40/569909640.db2.gz UIARQJVHVPKDGS-MRXNPFEDSA-N 0 0 462.637 4.953 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223399565 569909852 /nfs/dbraw/zinc/90/98/52/569909852.db2.gz GTPCJCMGQYHTQU-MRXNPFEDSA-N 0 0 485.418 4.695 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1)S(C)(=O)=O ZINC000223398880 569909879 /nfs/dbraw/zinc/90/98/79/569909879.db2.gz STDOLTJVRLYGHF-UHFFFAOYSA-N 0 0 493.629 4.660 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223403894 569910008 /nfs/dbraw/zinc/91/00/08/569910008.db2.gz YRYWFHOQYAQKNT-XMMPIXPASA-N 0 0 493.003 4.778 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1OC ZINC000223405564 569910152 /nfs/dbraw/zinc/91/01/52/569910152.db2.gz JISSZUPJATWCHT-SANMLTNESA-N 0 0 480.992 4.806 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223412527 569910455 /nfs/dbraw/zinc/91/04/55/569910455.db2.gz GGVLCRGZBXLEPH-JWQCQUIFSA-N 0 0 455.587 4.757 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000223413667 569910475 /nfs/dbraw/zinc/91/04/75/569910475.db2.gz ZTZZZGPFSSBJGX-HXUWFJFHSA-N 0 0 469.434 4.789 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223419631 569910623 /nfs/dbraw/zinc/91/06/23/569910623.db2.gz GYDRSYUFXSEEGN-FQEVSTJZSA-N 0 0 469.434 4.789 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223425285 569910895 /nfs/dbraw/zinc/91/08/95/569910895.db2.gz UVQOHZFQLVWOHD-SFHVURJKSA-N 0 0 463.043 4.915 40 0 JJABRN O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223425295 569910903 /nfs/dbraw/zinc/91/09/03/569910903.db2.gz PLBYFVLMISPCLG-SANMLTNESA-N 0 0 464.993 4.541 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223425147 569910904 /nfs/dbraw/zinc/91/09/04/569910904.db2.gz NHPOGNQQHLNUPN-SFHVURJKSA-N 0 0 463.043 4.915 40 0 JJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223432985 569911254 /nfs/dbraw/zinc/91/12/54/569911254.db2.gz INMPCFYISAECQE-DQEYMECFSA-N 0 0 456.571 4.759 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000223433627 569911283 /nfs/dbraw/zinc/91/12/83/569911283.db2.gz RZFUPJSLSLPYAY-HXUWFJFHSA-N 0 0 458.624 4.676 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223435730 569911338 /nfs/dbraw/zinc/91/13/38/569911338.db2.gz WHTIMQQSZAPTQT-JWQCQUIFSA-N 0 0 455.587 4.508 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 ZINC000223438783 569911445 /nfs/dbraw/zinc/91/14/45/569911445.db2.gz YKVVSZCSIVFOCD-MHZLTWQESA-N 0 0 492.591 4.770 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccc(OC)cc1 ZINC000223445397 569911582 /nfs/dbraw/zinc/91/15/82/569911582.db2.gz IYOLDXNBCDVYQL-UIOOFZCWSA-N 0 0 498.608 4.840 40 0 JJABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223462744 569912110 /nfs/dbraw/zinc/91/21/10/569912110.db2.gz CVDSVSQJPPMMHA-FQEVSTJZSA-N 0 0 453.435 4.823 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223466582 569912211 /nfs/dbraw/zinc/91/22/11/569912211.db2.gz AWRVLPIHYVXVTL-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223465565 569912217 /nfs/dbraw/zinc/91/22/17/569912217.db2.gz QQFRYSGOZLHSAH-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000223471185 569912396 /nfs/dbraw/zinc/91/23/96/569912396.db2.gz XSCZAEWDBNWXCZ-SFHVURJKSA-N 0 0 463.043 4.915 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223474019 569912527 /nfs/dbraw/zinc/91/25/27/569912527.db2.gz VGGXGBSMTLTOLQ-IBGZPJMESA-N 0 0 460.665 4.612 40 0 JJABRN CC(C)c1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223475879 569912605 /nfs/dbraw/zinc/91/26/05/569912605.db2.gz SDGJXCLCICECJL-OAQYLSRUSA-N 0 0 450.604 4.925 40 0 JJABRN CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000223480042 569912728 /nfs/dbraw/zinc/91/27/28/569912728.db2.gz OUHZKSOSZQTESX-NSHDSACASA-N 0 0 485.418 4.699 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1 ZINC000223482448 569912836 /nfs/dbraw/zinc/91/28/36/569912836.db2.gz HXCMUBRYCAZIKT-BJKOFHAPSA-N 0 0 470.554 4.696 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223482627 569912881 /nfs/dbraw/zinc/91/28/81/569912881.db2.gz HXBFBDFNVZXDMK-GHTZIAJQSA-N 0 0 451.032 4.996 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223482630 569912901 /nfs/dbraw/zinc/91/29/01/569912901.db2.gz WCCGFMBDNPJYMQ-BJKOFHAPSA-N 0 0 470.554 4.696 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223485251 569912987 /nfs/dbraw/zinc/91/29/87/569912987.db2.gz CNINYDZZKAIKKW-HSZRJFAPSA-N 0 0 468.956 4.634 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 ZINC000223486381 569913048 /nfs/dbraw/zinc/91/30/48/569913048.db2.gz WUUPXFFAHLFKNR-AREMUKBSSA-N 0 0 462.565 4.919 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1OC ZINC000223486578 569913108 /nfs/dbraw/zinc/91/31/08/569913108.db2.gz LBAVQEKFMAMXIN-MHZLTWQESA-N 0 0 492.591 4.928 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1C ZINC000223488291 569913142 /nfs/dbraw/zinc/91/31/42/569913142.db2.gz LVZLRBQJEHHOHS-PZJWPPBQSA-N 0 0 463.043 4.684 40 0 JJABRN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223492293 569913340 /nfs/dbraw/zinc/91/33/40/569913340.db2.gz LCORZUABTZCTLW-MHZLTWQESA-N 0 0 462.565 4.681 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000223495727 569913474 /nfs/dbraw/zinc/91/34/74/569913474.db2.gz OUHXOPAUQIAJHR-VWLOTQADSA-N 0 0 482.596 4.974 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223501185 569913726 /nfs/dbraw/zinc/91/37/26/569913726.db2.gz TVDJHQLSBVQDFM-UHFFFAOYSA-N 0 0 479.385 4.974 40 0 JJABRN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCC1CCCCC1 ZINC000223536539 569915013 /nfs/dbraw/zinc/91/50/13/569915013.db2.gz HECUFKPSBGSHFW-UHFFFAOYSA-N 0 0 455.407 4.885 40 0 JJABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000223505427 569913869 /nfs/dbraw/zinc/91/38/69/569913869.db2.gz YLBALFGBMVXCBB-NDEPHWFRSA-N 0 0 492.591 4.906 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000223510397 569913996 /nfs/dbraw/zinc/91/39/96/569913996.db2.gz XIOOZOYRFABQQO-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223511770 569914043 /nfs/dbraw/zinc/91/40/43/569914043.db2.gz PEBSASWMYFOLDZ-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000223510730 569914054 /nfs/dbraw/zinc/91/40/54/569914054.db2.gz SYFUHRXWMLRZCJ-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000223512548 569914133 /nfs/dbraw/zinc/91/41/33/569914133.db2.gz SIAZLSBCPWSXDZ-UHFFFAOYSA-N 0 0 488.609 4.793 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223513673 569914144 /nfs/dbraw/zinc/91/41/44/569914144.db2.gz ODCGQIOUXHSYCC-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223514167 569914169 /nfs/dbraw/zinc/91/41/69/569914169.db2.gz LMVJPTAYIDQCOX-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1C ZINC000223515912 569914280 /nfs/dbraw/zinc/91/42/80/569914280.db2.gz NFHOCHFTWQZYQF-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223515760 569914311 /nfs/dbraw/zinc/91/43/11/569914311.db2.gz LXEOGVXVNCZALF-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223530160 569914754 /nfs/dbraw/zinc/91/47/54/569914754.db2.gz MOJJWOFNSMYTKL-UHFFFAOYSA-N 0 0 481.376 4.687 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223534071 569914944 /nfs/dbraw/zinc/91/49/44/569914944.db2.gz SHCNXSVSTBYQMS-UHFFFAOYSA-N 0 0 479.385 4.974 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000223546158 569915441 /nfs/dbraw/zinc/91/54/41/569915441.db2.gz JZFHPAQKCKQIHQ-XMMPIXPASA-N 0 0 497.408 4.907 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1 ZINC000223544818 569915473 /nfs/dbraw/zinc/91/54/73/569915473.db2.gz WFNNQCGMPBADGI-XMMPIXPASA-N 0 0 497.408 4.907 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000223546213 569915516 /nfs/dbraw/zinc/91/55/16/569915516.db2.gz JZFHPAQKCKQIHQ-DEOSSOPVSA-N 0 0 497.408 4.907 40 0 JJABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223547436 569915532 /nfs/dbraw/zinc/91/55/32/569915532.db2.gz VNUAKKSXXQAPAM-KRWDZBQOSA-N 0 0 495.845 4.857 40 0 JJABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223548852 569915548 /nfs/dbraw/zinc/91/55/48/569915548.db2.gz TVHQUBTYENHKRE-KRWDZBQOSA-N 0 0 495.845 4.857 40 0 JJABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548556 569915550 /nfs/dbraw/zinc/91/55/50/569915550.db2.gz CHEHITJYKUTSBQ-RPBOFIJWSA-N 0 0 455.587 4.839 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Br)cc1 ZINC000223551263 569915657 /nfs/dbraw/zinc/91/56/57/569915657.db2.gz IAVDKXGYJHSCIK-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000223552521 569915731 /nfs/dbraw/zinc/91/57/31/569915731.db2.gz VDBHHKQEYONYFC-MHZLTWQESA-N 0 0 460.574 4.890 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223560749 569916083 /nfs/dbraw/zinc/91/60/83/569916083.db2.gz QVGLQDINJLLVBZ-LJAQVGFWSA-N 0 0 479.580 4.719 40 0 JJABRN CC[C@@H](C(=O)NCCOc1cccc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223564440 569916232 /nfs/dbraw/zinc/91/62/32/569916232.db2.gz BZJCAAZMFGJQBH-NRFANRHFSA-N 0 0 495.428 4.886 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCOc1cccc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000223567746 569916408 /nfs/dbraw/zinc/91/64/08/569916408.db2.gz CRENCKVUFDXYAG-UHFFFAOYSA-N 0 0 495.428 4.888 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000223573336 569916485 /nfs/dbraw/zinc/91/64/85/569916485.db2.gz SYWNQPDJQCJVAA-MUUNZHRXSA-N 0 0 484.552 4.754 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223574029 569916532 /nfs/dbraw/zinc/91/65/32/569916532.db2.gz YKVXJMDVWSVEFB-LJAQVGFWSA-N 0 0 495.579 4.556 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223573882 569916555 /nfs/dbraw/zinc/91/65/55/569916555.db2.gz VJPGLIJHTJXNPM-LJAQVGFWSA-N 0 0 495.579 4.556 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223573830 569916558 /nfs/dbraw/zinc/91/65/58/569916558.db2.gz VJPGLIJHTJXNPM-GDLZYMKVSA-N 0 0 495.579 4.556 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223585920 569916984 /nfs/dbraw/zinc/91/69/84/569916984.db2.gz BACBCKCCXMMTHP-HXUWFJFHSA-N 0 0 476.639 4.540 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F ZINC000223592865 569917204 /nfs/dbraw/zinc/91/72/04/569917204.db2.gz VKOGFDXIHCEYLH-DEOSSOPVSA-N 0 0 497.408 4.907 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1 ZINC000223597861 569917330 /nfs/dbraw/zinc/91/73/30/569917330.db2.gz NHMRIJNNEFVXHX-UHFFFAOYSA-N 0 0 488.609 4.923 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2)c2ccc(Cl)cc2C)cc1 ZINC000223600027 569917430 /nfs/dbraw/zinc/91/74/30/569917430.db2.gz DRDOYDVKHXAHNP-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2)c2cc(Cl)ccc2C)cc1 ZINC000223602363 569917495 /nfs/dbraw/zinc/91/74/95/569917495.db2.gz WXLAWDFLZNHQSP-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2cccc(Cl)c2C)cc1 ZINC000223604701 569917628 /nfs/dbraw/zinc/91/76/28/569917628.db2.gz RFOFWDWZWDBZAA-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223625240 569918232 /nfs/dbraw/zinc/91/82/32/569918232.db2.gz UROHOHCOQHMHDO-SFHVURJKSA-N 0 0 489.454 4.987 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000223627787 569918304 /nfs/dbraw/zinc/91/83/04/569918304.db2.gz SSEIEWIVSZUCKI-HSZRJFAPSA-N 0 0 454.611 4.920 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000223640812 569918708 /nfs/dbraw/zinc/91/87/08/569918708.db2.gz QYGSEWFQPGVDRW-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223641328 569918727 /nfs/dbraw/zinc/91/87/27/569918727.db2.gz RYSZOERNVPNRPZ-BJKOFHAPSA-N 0 0 483.037 4.987 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000223647940 569918843 /nfs/dbraw/zinc/91/88/43/569918843.db2.gz XSRZPMUXHAUHJJ-VXKWHMMOSA-N 0 0 453.589 4.670 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1OC ZINC000223653355 569919037 /nfs/dbraw/zinc/91/90/37/569919037.db2.gz YPQBOYYBNLXCRG-PXDATVDWSA-N 0 0 492.591 4.768 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223670595 569919546 /nfs/dbraw/zinc/91/95/46/569919546.db2.gz XGEBSSDKMKDGPY-SFHVURJKSA-N 0 0 489.454 4.987 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223670813 569919548 /nfs/dbraw/zinc/91/95/48/569919548.db2.gz PWAYDRFCBODLBZ-GOSISDBHSA-N 0 0 483.406 4.843 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(=O)(=O)c1ccccc1 ZINC000223671208 569919558 /nfs/dbraw/zinc/91/95/58/569919558.db2.gz JBHNSHPQZMTPEN-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223670866 569919579 /nfs/dbraw/zinc/91/95/79/569919579.db2.gz PWAYDRFCBODLBZ-SFHVURJKSA-N 0 0 483.406 4.843 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223673246 569919621 /nfs/dbraw/zinc/91/96/21/569919621.db2.gz CGTQPBNVTPNBJZ-UHFFFAOYSA-N 0 0 484.593 4.514 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000223684636 569919905 /nfs/dbraw/zinc/91/99/05/569919905.db2.gz DBRZDSGGTJCMOA-UHFFFAOYSA-N 0 0 480.630 4.759 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 ZINC000223688610 569920009 /nfs/dbraw/zinc/92/00/09/569920009.db2.gz FSEKEVLUMMTEKH-QFIPXVFZSA-N 0 0 475.427 4.860 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000223689936 569920028 /nfs/dbraw/zinc/92/00/28/569920028.db2.gz XSATVBTTXAAHSQ-UHFFFAOYSA-N 0 0 480.586 4.843 40 0 JJABRN Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1 ZINC000223689437 569920060 /nfs/dbraw/zinc/92/00/60/569920060.db2.gz NVCRIZNFTJVMKH-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000223696280 569920245 /nfs/dbraw/zinc/92/02/45/569920245.db2.gz IJRMYDYJKDWLNZ-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223704829 569920504 /nfs/dbraw/zinc/92/05/04/569920504.db2.gz ANLMEORYYYGBDY-DEOSSOPVSA-N 0 0 456.652 4.961 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223716146 569920909 /nfs/dbraw/zinc/92/09/09/569920909.db2.gz DEBOYEWUCMUMHI-FCHUYYIVSA-N 0 0 472.973 4.591 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223719994 569921065 /nfs/dbraw/zinc/92/10/65/569921065.db2.gz NNVOHNHGSUUUIA-ZEQRLZLVSA-N 0 0 454.640 4.931 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223725943 569921265 /nfs/dbraw/zinc/92/12/65/569921265.db2.gz ITYJPHMMDAMWAK-FQEVSTJZSA-N 0 0 481.058 4.686 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(C)cc1 ZINC000223732141 569921512 /nfs/dbraw/zinc/92/15/12/569921512.db2.gz CBGICEHNNQXGPQ-SANMLTNESA-N 0 0 476.642 4.872 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccc(C)cc2)cc1 ZINC000223732091 569921516 /nfs/dbraw/zinc/92/15/16/569921516.db2.gz QDCCWVRXXPPHSH-UHFFFAOYSA-N 0 0 498.670 4.724 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223734759 569921557 /nfs/dbraw/zinc/92/15/57/569921557.db2.gz ILWWTBLQNYZJPV-IZZNHLLZSA-N 0 0 470.598 4.951 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSc1ccccc1 ZINC000223733803 569921564 /nfs/dbraw/zinc/92/15/64/569921564.db2.gz RPRWYWDFXSIRQQ-SANMLTNESA-N 0 0 476.642 4.954 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000223734276 569921586 /nfs/dbraw/zinc/92/15/86/569921586.db2.gz WDFKVQYHWGYXLE-XZOQPEGZSA-N 0 0 469.010 4.760 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223735314 569921638 /nfs/dbraw/zinc/92/16/38/569921638.db2.gz WLWKIPKWXWFRCI-FGZHOGPDSA-N 0 0 453.589 4.752 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223739066 569921711 /nfs/dbraw/zinc/92/17/11/569921711.db2.gz ITDYBMCUIGOVME-HSZRJFAPSA-N 0 0 454.611 4.669 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c(Br)c1 ZINC000223744653 569921907 /nfs/dbraw/zinc/92/19/07/569921907.db2.gz UHGRSZQHTZJEBC-SFHVURJKSA-N 0 0 487.438 4.866 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223750761 569922067 /nfs/dbraw/zinc/92/20/67/569922067.db2.gz XXEUYLUTJYRBDI-JIPXPUAJSA-N 0 0 476.592 4.932 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccccc2)cc1 ZINC000223752932 569922171 /nfs/dbraw/zinc/92/21/71/569922171.db2.gz NUDHNHSTEYCPDZ-UHFFFAOYSA-N 0 0 466.603 4.509 40 0 JJABRN COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223754194 569922217 /nfs/dbraw/zinc/92/22/17/569922217.db2.gz KGQIHEFJOYKRGY-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000223759125 569922333 /nfs/dbraw/zinc/92/23/33/569922333.db2.gz CVCYISVMVZEVBZ-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccccc2)cc1 ZINC000223760280 569922363 /nfs/dbraw/zinc/92/23/63/569922363.db2.gz WYYGWDYZOMMGNZ-UHFFFAOYSA-N 0 0 496.629 4.599 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1C ZINC000223760637 569922403 /nfs/dbraw/zinc/92/24/03/569922403.db2.gz QOKJYJFZLGOIFR-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223762761 569922504 /nfs/dbraw/zinc/92/25/04/569922504.db2.gz RFDSWULJUBDFPT-GOSISDBHSA-N 0 0 477.992 4.787 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223771828 569922752 /nfs/dbraw/zinc/92/27/52/569922752.db2.gz VBTKZWGLFFGSIN-UHFFFAOYSA-N 0 0 452.576 4.592 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000223777207 569922964 /nfs/dbraw/zinc/92/29/64/569922964.db2.gz BPGBWDIICLNBGZ-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223778291 569923004 /nfs/dbraw/zinc/92/30/04/569923004.db2.gz UQDFKDUVRPSMAI-HHHXNRCGSA-N 0 0 458.602 4.631 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000223780351 569923104 /nfs/dbraw/zinc/92/31/04/569923104.db2.gz NKLGQLZMBIECQN-UHFFFAOYSA-N 0 0 458.605 4.505 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1 ZINC000223782034 569923155 /nfs/dbraw/zinc/92/31/55/569923155.db2.gz KTWQGWILTKFDGG-RPBOFIJWSA-N 0 0 484.581 4.845 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCCC1 ZINC000223791826 569923470 /nfs/dbraw/zinc/92/34/70/569923470.db2.gz DXMKABHJENXTFC-UHFFFAOYSA-N 0 0 455.407 4.885 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000223793876 569923534 /nfs/dbraw/zinc/92/35/34/569923534.db2.gz XOTIINDZDIHTJL-UHFFFAOYSA-N 0 0 459.428 4.980 40 0 JJABRN Cc1cccc(CN(C(=O)CN2c3cccc4cccc(c34)C2=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223804346 569923835 /nfs/dbraw/zinc/92/38/35/569923835.db2.gz XBDUTHWIUFOEQU-HXUWFJFHSA-N 0 0 469.585 4.585 40 0 JJABRN Cc1cccc(CN(C(=O)CN2c3cccc4cccc(c34)C2=O)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223804334 569923837 /nfs/dbraw/zinc/92/38/37/569923837.db2.gz XBDUTHWIUFOEQU-FQEVSTJZSA-N 0 0 469.585 4.585 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808107 569923961 /nfs/dbraw/zinc/92/39/61/569923961.db2.gz FQLMEMCNIRNBPT-HXUWFJFHSA-N 0 0 454.636 4.713 40 0 JJABRN Cc1ccc(CN(C(=O)CN2c3cccc4cccc(c34)C2=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223810798 569924081 /nfs/dbraw/zinc/92/40/81/569924081.db2.gz UNMYCEPPCQJRIG-HXUWFJFHSA-N 0 0 469.585 4.585 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223830706 569924585 /nfs/dbraw/zinc/92/45/85/569924585.db2.gz PADBSEUXEUPQRN-QGZVFWFLSA-N 0 0 451.394 4.933 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223831503 569924649 /nfs/dbraw/zinc/92/46/49/569924649.db2.gz JDPFDEIXPORVHW-JWQCQUIFSA-N 0 0 455.587 4.902 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1cccnc1 ZINC000223846827 569924965 /nfs/dbraw/zinc/92/49/65/569924965.db2.gz FXKTTZOMDZSPEY-LOSJGSFVSA-N 0 0 455.587 4.826 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223849299 569925060 /nfs/dbraw/zinc/92/50/60/569925060.db2.gz ALUCHVXMIDLCCH-TZIWHRDSSA-N 0 0 458.624 4.657 40 0 JJABRN CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223848857 569925064 /nfs/dbraw/zinc/92/50/64/569925064.db2.gz DNJJHRGJXHWEMN-CYVLTUHYSA-N 0 0 452.532 4.818 40 0 JJABRN COc1ccccc1N(CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000223853230 569925173 /nfs/dbraw/zinc/92/51/73/569925173.db2.gz MCUKVEKTSAYJIG-UHFFFAOYSA-N 0 0 464.893 4.552 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1C ZINC000223889584 569926363 /nfs/dbraw/zinc/92/63/63/569926363.db2.gz METIKNUGRGUBJW-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223907511 569926903 /nfs/dbraw/zinc/92/69/03/569926903.db2.gz BTVNJCVAVFPVMP-LOSJGSFVSA-N 0 0 455.587 4.821 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223913481 569927061 /nfs/dbraw/zinc/92/70/61/569927061.db2.gz PXYDQHDXCWCXGQ-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 ZINC000223917510 569927214 /nfs/dbraw/zinc/92/72/14/569927214.db2.gz LGSOMUUYOWOHNY-SFHVURJKSA-N 0 0 461.400 4.552 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223917785 569927218 /nfs/dbraw/zinc/92/72/18/569927218.db2.gz PJWUXSJHCHDPAS-CLJLJLNGSA-N 0 0 497.624 4.902 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223917721 569927225 /nfs/dbraw/zinc/92/72/25/569927225.db2.gz HROWPWQNDFYLDS-UIOOFZCWSA-N 0 0 497.624 4.902 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223931300 569927657 /nfs/dbraw/zinc/92/76/57/569927657.db2.gz QXUIAQZVKNYOTI-HNNXBMFYSA-N 0 0 451.792 4.589 40 0 JJABRN Cc1ccc(C)c(N(CCCC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)c1 ZINC000223930874 569927679 /nfs/dbraw/zinc/92/76/79/569927679.db2.gz MOFGLYVBTKKEIJ-UHFFFAOYSA-N 0 0 490.676 4.632 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223933515 569927732 /nfs/dbraw/zinc/92/77/32/569927732.db2.gz VYMPCTIYUVUEBS-QGZVFWFLSA-N 0 0 463.441 4.793 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000223937570 569927818 /nfs/dbraw/zinc/92/78/18/569927818.db2.gz AJSHKSSTNVQWLD-OAHLLOKOSA-N 0 0 467.368 4.987 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000223938381 569927839 /nfs/dbraw/zinc/92/78/39/569927839.db2.gz YTAFXPHKVKTCIQ-UHFFFAOYSA-N 0 0 458.967 4.841 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccccc2Cl)ccc1C ZINC000223940294 569927857 /nfs/dbraw/zinc/92/78/57/569927857.db2.gz HMGAFUTWCXGXOM-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223940612 569927879 /nfs/dbraw/zinc/92/78/79/569927879.db2.gz UMLRVHXJERTJRZ-INIZCTEOSA-N 0 0 479.404 4.857 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000223943152 569927951 /nfs/dbraw/zinc/92/79/51/569927951.db2.gz KNKKIKVFCSHGGQ-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCOc3cccc(C)c3C)c2)cc1 ZINC000223943730 569928022 /nfs/dbraw/zinc/92/80/22/569928022.db2.gz QYQRACRJGQVBMS-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223947853 569928138 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487.383 4.963 40 0 JJABRN Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)no1 ZINC000408648712 569992988 /nfs/dbraw/zinc/99/29/88/569992988.db2.gz YOUFEQCQBDZCKR-UHFFFAOYSA-N 0 0 487.965 5.078 40 0 JJABRN COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000408648830 569993041 /nfs/dbraw/zinc/99/30/41/569993041.db2.gz ZZEFCGIPYVJSER-UHFFFAOYSA-N 0 0 462.502 4.697 40 0 JJABRN CN(c1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1)S(C)(=O)=O ZINC000225364942 569993129 /nfs/dbraw/zinc/99/31/29/569993129.db2.gz NYXZKUAFVQPCRF-UHFFFAOYSA-N 0 0 478.492 4.609 40 0 JJABRN CC(C)Sc1nnc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)s1 ZINC000225378508 569993928 /nfs/dbraw/zinc/99/39/28/569993928.db2.gz RVUVFJZUJAISBG-OAHLLOKOSA-N 0 0 492.648 4.624 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000225380031 569993976 /nfs/dbraw/zinc/99/39/76/569993976.db2.gz JLPJLKWMFSRUJP-HZPDHXFCSA-N 0 0 451.394 4.877 40 0 JJABRN 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570106311 /nfs/dbraw/zinc/10/63/11/570106311.db2.gz MLUKKTWXNSOLOG-UUYOSTAYSA-N 0 0 476.001 4.554 40 0 JJABRN CCOc1ccc(N2C(=O)/C(=C/c3cc(OCC)c(O)cc3Br)N(C)C2=S)cc1 ZINC000409034313 570106388 /nfs/dbraw/zinc/10/63/88/570106388.db2.gz NDYSXSYWXMAWIZ-YVLHZVERSA-N 0 0 477.380 4.557 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H]5Sc6[nH]c(=O)sc6[C@H](c6ccccc6C)[C@H]45)[C@H]3C2=O)cc1 ZINC000256055809 570107042 /nfs/dbraw/zinc/10/70/42/570107042.db2.gz VCYGCBBCDCTNDH-VTINZAFFSA-N 0 0 488.634 4.731 40 0 JJABRN Cc1c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cccc(C)c2n1Cc1ccc(Cl)cc1 ZINC000409039105 570107074 /nfs/dbraw/zinc/10/70/74/570107074.db2.gz WHTNOFALLLCDOF-UUYOSTAYSA-N 0 0 476.001 4.554 40 0 JJABRN O=C(c1cncc(-c2cncnc2)c1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257199673 570107494 /nfs/dbraw/zinc/10/74/94/570107494.db2.gz AAKRZPQMZDAUNB-QFIPXVFZSA-N 0 0 458.909 4.752 40 0 JJABRN COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257199776 570107693 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UDFZQCJSDGLDOR-NNLQFVHNSA-N 0 0 479.913 4.665 40 0 JJABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 ZINC000257231356 570117386 /nfs/dbraw/zinc/11/73/86/570117386.db2.gz GGHVAOMLWABDDO-QFIPXVFZSA-N 0 0 471.601 4.721 40 0 JJABRN O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257231688 570117507 /nfs/dbraw/zinc/11/75/07/570117507.db2.gz GHVWYYVGKWVAIE-NRFANRHFSA-N 0 0 453.521 4.683 40 0 JJABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4ccccc4Cl)o3)on2)cn1 ZINC000257231881 570117533 /nfs/dbraw/zinc/11/75/33/570117533.db2.gz GINRRWNFBFZGNS-HXUWFJFHSA-N 0 0 451.914 4.768 40 0 JJABRN COc1ccc(C2(C(=O)N3C[C@@H](c4ccc(F)cc4)[C@]4(C3)CCCC(=O)N4C)CCCC2)cc1 ZINC000257232315 570117712 /nfs/dbraw/zinc/11/77/12/570117712.db2.gz GKINFXPXHMXIOM-RBJSKKJNSA-N 0 0 464.581 4.653 40 0 JJABRN CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257233238 570117922 /nfs/dbraw/zinc/11/79/22/570117922.db2.gz GOJDNBXIPHHHTJ-AREMUKBSSA-N 0 0 464.541 4.707 40 0 JJABRN Cc1cnc(Nc2cc([C@H]3CCN(C(=O)Cn4c(CC(C)C)nc5ccccc54)C3)nc(C)n2)s1 ZINC000257233530 570117965 /nfs/dbraw/zinc/11/79/65/570117965.db2.gz GPPZKASOBDDLHX-IBGZPJMESA-N 0 0 489.649 4.858 40 0 JJABRN COc1ccccc1Oc1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2Cn2cccn2)C1 ZINC000257233247 570117998 /nfs/dbraw/zinc/11/79/98/570117998.db2.gz GOKMXIHQYTVUSS-OAQYLSRUSA-N 0 0 469.545 4.542 40 0 JJABRN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc32)CC1 ZINC000257234425 570118400 /nfs/dbraw/zinc/11/84/00/570118400.db2.gz GTMKKTWJJXNHLX-FQEVSTJZSA-N 0 0 456.546 4.990 40 0 JJABRN O=C(Nc1ccccc1)c1ccnc(Nc2cccc([C@H]3CN(C(=O)C4CCCCC4)CCO3)n2)c1 ZINC000257234571 570118423 /nfs/dbraw/zinc/11/84/23/570118423.db2.gz GUEPYTUIWGOIAQ-XMMPIXPASA-N 0 0 485.588 4.953 40 0 JJABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)c3cccc(-c4cncnc4)n3)C2)n1 ZINC000257235554 570118789 /nfs/dbraw/zinc/11/87/89/570118789.db2.gz GYIBDQHNDULUNF-FQEVSTJZSA-N 0 0 466.545 4.758 40 0 JJABRN CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)on1 ZINC000257237343 570119376 /nfs/dbraw/zinc/11/93/76/570119376.db2.gz HGAZFMSMQLDXJQ-DHLKQENFSA-N 0 0 475.589 4.756 40 0 JJABRN Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)nc(C)n1 ZINC000257238187 570119637 /nfs/dbraw/zinc/11/96/37/570119637.db2.gz HJYBCAOHUNZXNP-JOCHJYFZSA-N 0 0 467.573 4.717 40 0 JJABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2cccc(Nc3ncccn3)c2)n1 ZINC000257238454 570119767 /nfs/dbraw/zinc/11/97/67/570119767.db2.gz HLARRWCFVPFHGO-QFIPXVFZSA-N 0 0 469.524 4.766 40 0 JJABRN O=C(N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1)C1(c2ccccc2)CCOCC1 ZINC000257238698 570119781 /nfs/dbraw/zinc/11/97/81/570119781.db2.gz HMCQLLHRFVSEFD-HXUWFJFHSA-N 0 0 461.537 4.862 40 0 JJABRN CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CC[NH+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000257240726 570120378 /nfs/dbraw/zinc/12/03/78/570120378.db2.gz HUWOMKSRXPZBEJ-AREMUKBSSA-N 0 0 473.592 4.855 40 0 JJABRN COCCOc1ccc(C(=O)N2CCC[C@H]2c2cncc(Cc3cccc(Cl)c3)n2)cc1 ZINC000257240424 570120384 /nfs/dbraw/zinc/12/03/84/570120384.db2.gz HTLHQVJMAKUHCW-DEOSSOPVSA-N 0 0 451.954 4.723 40 0 JJABRN CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CC[NH+](Cc1ccccc1OCc1ccccn1)CC2 ZINC000257240727 570120385 /nfs/dbraw/zinc/12/03/85/570120385.db2.gz HUWOMKSRXPZBEJ-SANMLTNESA-N 0 0 473.592 4.855 40 0 JJABRN COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)cc1 ZINC000257241062 570120534 /nfs/dbraw/zinc/12/05/34/570120534.db2.gz HWLBDLLAJUTIRB-NRFANRHFSA-N 0 0 473.573 4.650 40 0 JJABRN Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ccncc43)C2)c1 ZINC000257246575 570122011 /nfs/dbraw/zinc/12/20/11/570122011.db2.gz IUSOYFLSYBBKBN-OAQYLSRUSA-N 0 0 471.557 4.750 40 0 JJABRN CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4cc(C(C)(C)C)ccc4OC(C)(C)[C@@H]3C[C@@H]21 ZINC000257248243 570122675 /nfs/dbraw/zinc/12/26/75/570122675.db2.gz JCUIWKZYPNYAAX-APAYAGTCSA-N 0 0 470.654 4.899 40 0 JJABRN COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccccc4Cn4ccnc4)C3)n2)c1 ZINC000257249275 570122873 /nfs/dbraw/zinc/12/28/73/570122873.db2.gz JHNQOHZZPXZRMR-OAQYLSRUSA-N 0 0 469.545 4.542 40 0 JJABRN CC(C)CS(=O)(=O)N1CC2(CCN(CC(=O)Nc3cccc4ccccc43)CC2)CCC1(C)C ZINC000257249736 570123101 /nfs/dbraw/zinc/12/31/01/570123101.db2.gz JJPCGCVKAIGRSW-UHFFFAOYSA-N 0 0 485.694 4.721 40 0 JJABRN O=C(c1ccc(NCc2cccnc2)cc1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257252607 570124003 /nfs/dbraw/zinc/12/40/03/570124003.db2.gz JVKFIEQAEUWSGN-QHCPKHFHSA-N 0 0 456.525 4.519 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)c1 ZINC000257253843 570124392 /nfs/dbraw/zinc/12/43/92/570124392.db2.gz KAMCSAAHVMCWRZ-IBGZPJMESA-N 0 0 457.530 4.911 40 0 JJABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4ccc(Cl)cc4)o3)on2)cn1 ZINC000257254301 570124532 /nfs/dbraw/zinc/12/45/32/570124532.db2.gz KCNDWVODEHQRAY-HXUWFJFHSA-N 0 0 451.914 4.768 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000409090410 570124588 /nfs/dbraw/zinc/12/45/88/570124588.db2.gz QPJIWTDUAIQISF-BUVRLJJBSA-N 0 0 499.567 4.813 40 0 JJABRN CCn1cc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCCCC3)CC2)c(C)n1 ZINC000257255836 570124913 /nfs/dbraw/zinc/12/49/13/570124913.db2.gz KJAYQSMKQAFHHJ-UHFFFAOYSA-N 0 0 487.044 4.569 40 0 JJABRN COc1cccc([C@H]2CN(Cc3ccccc3)C(=O)C23CC[NH+](Cc2ccccc2C(=O)[O-])CC3)c1 ZINC000257258215 570125662 /nfs/dbraw/zinc/12/56/62/570125662.db2.gz KSVRZPBODLKJLR-HHHXNRCGSA-N 0 0 484.596 4.802 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1O[C@H](C)CC ZINC000409093623 570125735 /nfs/dbraw/zinc/12/57/35/570125735.db2.gz BJCKVQIMPIOPON-DYBVGFEPSA-N 0 0 486.384 4.623 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409094787 570126175 /nfs/dbraw/zinc/12/61/75/570126175.db2.gz GBWPZGWCFVFERW-MQMKENTISA-N 0 0 475.950 4.916 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409095845 570126487 /nfs/dbraw/zinc/12/64/87/570126487.db2.gz DMWJASPMRFAKBV-VGSSETLESA-N 0 0 455.960 4.904 40 0 JJABRN COc1cccc(-c2cccc(CC3(C(=O)NCCc4nc5ccccc5n4C)CCOCC3)c2)c1 ZINC000257260990 570126760 /nfs/dbraw/zinc/12/67/60/570126760.db2.gz LFIRPANSDMVPCK-UHFFFAOYSA-N 0 0 483.612 4.947 40 0 JJABRN O=C(c1cc(=O)[nH]c(-c2ccccc2)n1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262375 570127016 /nfs/dbraw/zinc/12/70/16/570127016.db2.gz LLDXCZZHSCAOIF-LJQANCHMSA-N 0 0 458.493 4.587 40 0 JJABRN CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000257262371 570127042 /nfs/dbraw/zinc/12/70/42/570127042.db2.gz LLDNXAWHISSLGI-QHCPKHFHSA-N 0 0 473.592 4.655 40 0 JJABRN Cc1cc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)nc(N2CCCCC2)n1 ZINC000257262858 570127168 /nfs/dbraw/zinc/12/71/68/570127168.db2.gz LNFDZISYRGNKKD-JOCHJYFZSA-N 0 0 473.596 4.920 40 0 JJABRN Cc1cc(OCC(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)c2ccccc2n1 ZINC000257263537 570127512 /nfs/dbraw/zinc/12/75/12/570127512.db2.gz LQKOYWCCIRIKTN-AHKZPQOWSA-N 0 0 466.553 4.518 40 0 JJABRN COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)COc4ccccc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257265451 570128046 /nfs/dbraw/zinc/12/80/46/570128046.db2.gz LYSQLFPEMUEVIY-WIOPSUGQSA-N 0 0 451.563 4.632 40 0 JJABRN Cc1sc(NC(=O)CN2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)nc1-c1ccc(F)cc1 ZINC000257265826 570128198 /nfs/dbraw/zinc/12/81/98/570128198.db2.gz MAMMXUBGBXYDEJ-RDPSFJRHSA-N 0 0 490.000 4.754 40 0 JJABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409101059 570128443 /nfs/dbraw/zinc/12/84/43/570128443.db2.gz PECJMRRAEDUXJU-WIWNTQSISA-N 0 0 450.310 4.615 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000409101426 570128528 /nfs/dbraw/zinc/12/85/28/570128528.db2.gz TZFIENPAFVHSCG-FYJGNVAPSA-N 0 0 470.547 4.556 40 0 JJABRN COc1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)cc1OC ZINC000257266647 570128630 /nfs/dbraw/zinc/12/86/30/570128630.db2.gz MDWZYIIKTGFBDI-MUUNZHRXSA-N 0 0 498.595 4.547 40 0 JJABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257267908 570128910 /nfs/dbraw/zinc/12/89/10/570128910.db2.gz MJJNWDRAEXMFBU-XMMPIXPASA-N 0 0 456.937 4.550 40 0 JJABRN CCc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1CC ZINC000409102449 570128977 /nfs/dbraw/zinc/12/89/77/570128977.db2.gz ZQYLIQVEJMKXAE-UHFFFAOYSA-N 0 0 460.401 4.724 40 0 JJABRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OC ZINC000409102583 570128983 /nfs/dbraw/zinc/12/89/83/570128983.db2.gz YUDRMBCWMUSKPU-GFQQVXNGSA-N 0 0 486.384 4.623 40 0 JJABRN CC(=O)N1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257269286 570129367 /nfs/dbraw/zinc/12/93/67/570129367.db2.gz MPILWIWTYAIHFS-QHCPKHFHSA-N 0 0 455.602 4.596 40 0 JJABRN Cc1nccn1Cc1cccc(C(=O)N2CCO[C@H](c3cccc(Oc4ccc(C)cc4)n3)C2)c1 ZINC000257269681 570129592 /nfs/dbraw/zinc/12/95/92/570129592.db2.gz MQXZBZPPQLYLAI-SANMLTNESA-N 0 0 468.557 4.949 40 0 JJABRN O=C(C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000257269991 570129598 /nfs/dbraw/zinc/12/95/98/570129598.db2.gz MSHKMUFIFHFGEL-VWLOTQADSA-N 0 0 491.415 4.544 40 0 JJABRN CC(C)CN1C(=O)CCC[C@]12CN(C(=O)c1cccc(Cn3ccnc3)c1)C[C@H]2c1ccccc1 ZINC000257270912 570129838 /nfs/dbraw/zinc/12/98/38/570129838.db2.gz MWDYCCAMQBPPSG-LITSAYRRSA-N 0 0 470.617 4.578 40 0 JJABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br ZINC000409106146 570130304 /nfs/dbraw/zinc/13/03/04/570130304.db2.gz MOYQLPFPDVTMDQ-RGZVIEDOSA-N 0 0 456.358 4.614 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(I)c1OC(C)C ZINC000409106539 570130388 /nfs/dbraw/zinc/13/03/88/570130388.db2.gz NVOICLNVHQTNSW-NTEUORMPSA-N 0 0 461.321 4.533 40 0 JJABRN Cc1cccnc1C(=O)N1CCC[C@@](COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257273871 570130728 /nfs/dbraw/zinc/13/07/28/570130728.db2.gz NIOBNUPFBZIUAI-GDLZYMKVSA-N 0 0 471.601 4.740 40 0 JJABRN Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4cccc5cnccc54)C3)c2)nc(C)n1 ZINC000257275227 570131213 /nfs/dbraw/zinc/13/12/13/570131213.db2.gz NOKYEWRMUFAPIX-OAQYLSRUSA-N 0 0 467.573 4.717 40 0 JJABRN COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3cccc4occc43)C2)cc1 ZINC000257275524 570131291 /nfs/dbraw/zinc/13/12/91/570131291.db2.gz NPTAYTXQJABTCR-LJQANCHMSA-N 0 0 457.530 4.911 40 0 JJABRN Cc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccccc3Cn3cccn3)CC2)c1 ZINC000257276737 570131599 /nfs/dbraw/zinc/13/15/99/570131599.db2.gz NUXCLKBLTYUAEX-UHFFFAOYSA-N 0 0 453.546 4.842 40 0 JJABRN CC(C)C(=O)N[C@]1(C)C[C@@H](c2cc(Br)ccc2OCCO)O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257277765 570131995 /nfs/dbraw/zinc/13/19/95/570131995.db2.gz NZGNPNFCQCAWJW-SLHBAMSGSA-N 0 0 468.432 4.617 40 0 JJABRN CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2OCCO)O[C@H]2C[C@@H](C)CC[C@@H]21 ZINC000257277764 570132056 /nfs/dbraw/zinc/13/20/56/570132056.db2.gz NZGNPNFCQCAWJW-AZJJULKRSA-N 0 0 468.432 4.617 40 0 JJABRN CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257278368 570132152 /nfs/dbraw/zinc/13/21/52/570132152.db2.gz OBYZHSCGNVZUMQ-DEOSSOPVSA-N 0 0 463.528 4.823 40 0 JJABRN CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(C(=O)OCC)c1-c1ccccc1 ZINC000409112208 570132513 /nfs/dbraw/zinc/13/25/13/570132513.db2.gz FISYQNRKXSCVDM-UHFFFAOYSA-N 0 0 453.516 4.786 40 0 JJABRN C[C@]1(NC(=O)CCO)C[C@H](c2cccc(Br)c2)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257281728 570133176 /nfs/dbraw/zinc/13/31/76/570133176.db2.gz OQRVWRHSCBEVHC-QKNQBKEWSA-N 0 0 452.776 4.953 40 0 JJABRN COc1cc(Br)c([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1OC ZINC000409114169 570133411 /nfs/dbraw/zinc/13/34/11/570133411.db2.gz CXMYESWVIALWDC-QFIPXVFZSA-N 0 0 489.391 4.782 40 0 JJABRN CCn1cc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(OC)c4)o3)on2)cn1 ZINC000257282485 570133477 /nfs/dbraw/zinc/13/34/77/570133477.db2.gz OTXREOHYMAJDTF-QFIPXVFZSA-N 0 0 461.522 4.513 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1c(Cl)cccc1Cl ZINC000409116096 570134163 /nfs/dbraw/zinc/13/41/63/570134163.db2.gz LPOVOYMAKMDLOM-UHFFFAOYSA-N 0 0 479.385 4.532 40 0 JJABRN COc1ccccc1-c1cccc(CC2(C(=O)NCCN3CCc4ccccc43)CCOCC2)c1 ZINC000257286338 570134490 /nfs/dbraw/zinc/13/44/90/570134490.db2.gz PLERDNPNTOHODO-UHFFFAOYSA-N 0 0 470.613 4.880 40 0 JJABRN CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4cccc(C(F)(F)F)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257286228 570134546 /nfs/dbraw/zinc/13/45/46/570134546.db2.gz PKUJQRLLRWUAIM-VMBXEPDQSA-N 0 0 482.543 4.620 40 0 JJABRN O=C(CCNc1ncnc2ccccc21)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257287420 570134868 /nfs/dbraw/zinc/13/48/68/570134868.db2.gz PPXHKORDPGYLRT-XMMPIXPASA-N 0 0 472.980 4.830 40 0 JJABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCC[C@H](Cc2cccc3ncccc23)CC1 ZINC000257287826 570135000 /nfs/dbraw/zinc/13/50/00/570135000.db2.gz PRRDFJRFJIJAPP-QFIPXVFZSA-N 0 0 471.601 4.721 40 0 JJABRN CCOc1ccccc1-c1cc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)[nH]n1 ZINC000257289500 570135444 /nfs/dbraw/zinc/13/54/44/570135444.db2.gz PYXPIVMQXFFNQK-RPBOFIJWSA-N 0 0 472.589 4.661 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2cccc(Cl)c2)cc1 ZINC000409120762 570135636 /nfs/dbraw/zinc/13/56/36/570135636.db2.gz SSJSJICVYMYNDC-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000257290392 570135698 /nfs/dbraw/zinc/13/56/98/570135698.db2.gz QCUMGJNYNVCXKW-JCYYIGJDSA-N 0 0 470.588 4.995 40 0 JJABRN COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc(-c5cccc(OC)c5)n[nH]4)C3)o2)cc1 ZINC000257290715 570135719 /nfs/dbraw/zinc/13/57/19/570135719.db2.gz QEAQJNRFTXETRB-HXUWFJFHSA-N 0 0 472.545 4.693 40 0 JJABRN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccccc2)Cc2ccccc2Cl)C1 ZINC000257290529 570135729 /nfs/dbraw/zinc/13/57/29/570135729.db2.gz QDIDSVJRXQDYNK-DQEYMECFSA-N 0 0 450.966 4.724 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000409121577 570136045 /nfs/dbraw/zinc/13/60/45/570136045.db2.gz YNZRBCPJGGRFRD-UHFFFAOYSA-N 0 0 463.386 4.890 40 0 JJABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3(C)CCN(c4ncccn4)CC3)C2)n1 ZINC000257292380 570136278 /nfs/dbraw/zinc/13/62/78/570136278.db2.gz QLFHLROSKGODDL-NRFANRHFSA-N 0 0 471.605 4.560 40 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ZINC000409126586 570138215 /nfs/dbraw/zinc/13/82/15/570138215.db2.gz LKWJNVNPENHGJZ-MRXNPFEDSA-N 0 0 472.014 4.790 40 0 JJABRN Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)C3(c4ccccc4F)CCOCC3)n2)c1 ZINC000257299727 570138388 /nfs/dbraw/zinc/13/83/88/570138388.db2.gz RRHGFIRPVYQHNL-SANMLTNESA-N 0 0 459.565 4.927 40 0 JJABRN COc1ccccc1Cc1cc(C(=O)N2CCC3(C[C@@H](N(C)c4ccccc4)CO3)CC2)ccn1 ZINC000257301491 570138884 /nfs/dbraw/zinc/13/88/84/570138884.db2.gz RYRFDQRWVSSXCB-AREMUKBSSA-N 0 0 471.601 4.581 40 0 JJABRN COc1ccccc1Cc1cc(C(=O)N2CCC3(C[C@H](N(C)c4ccccc4)CO3)CC2)ccn1 ZINC000257301492 570138942 /nfs/dbraw/zinc/13/89/42/570138942.db2.gz RYRFDQRWVSSXCB-SANMLTNESA-N 0 0 471.601 4.581 40 0 JJABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccnc(-c3cncnc3)c2)n1 ZINC000257303857 570139476 /nfs/dbraw/zinc/13/94/76/570139476.db2.gz SJASWDJBMBSWOJ-HSZRJFAPSA-N 0 0 470.508 4.936 40 0 JJABRN O=C(Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21)N1CCCCC1 ZINC000409130674 570139986 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CC[C@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccccc1F)S(C)(=O)=O ZINC000260941268 570165672 /nfs/dbraw/zinc/16/56/72/570165672.db2.gz SFSBCJXIRZCQOG-DYESRHJHSA-N 0 0 464.603 4.688 40 0 JJABRN CC[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000260943054 570165791 /nfs/dbraw/zinc/16/57/91/570165791.db2.gz SWUUUWGKAWZBPO-YLJYHZDGSA-N 0 0 467.031 4.696 40 0 JJABRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000260945462 570165869 /nfs/dbraw/zinc/16/58/69/570165869.db2.gz VGRQITHYMWMUNJ-SZNDQCEHSA-N 0 0 469.434 4.904 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C ZINC000260951478 570166154 /nfs/dbraw/zinc/16/61/54/570166154.db2.gz YFJSPGOYXHBEDM-HOTGVXAUSA-N 0 0 457.423 4.951 40 0 JJABRN C[C@@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000260951645 570166183 /nfs/dbraw/zinc/16/61/83/570166183.db2.gz YTOHIUSJUYCKLC-KGLIPLIRSA-N 0 0 455.407 4.514 40 0 JJABRN C[C@H](NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000260951643 570166197 /nfs/dbraw/zinc/16/61/97/570166197.db2.gz YTOHIUSJUYCKLC-KBPBESRZSA-N 0 0 455.407 4.514 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1Cl ZINC000260951584 570166214 /nfs/dbraw/zinc/16/62/14/570166214.db2.gz YNBCOOSPPBNMJQ-GOSISDBHSA-N 0 0 467.031 4.697 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C)ccc1OC(C)=O ZINC000261362282 570167533 /nfs/dbraw/zinc/16/75/33/570167533.db2.gz CQKPKVMRJNDPIV-VWLOTQADSA-O 0 0 493.609 4.566 40 0 JJABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000261363648 570168130 /nfs/dbraw/zinc/16/81/30/570168130.db2.gz VDQYLRQKUBVPHI-HSZRJFAPSA-O 0 0 479.969 4.994 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O ZINC000409208553 570168187 /nfs/dbraw/zinc/16/81/87/570168187.db2.gz CHKHUTYYVBTUEW-HMAPJEAMSA-N 0 0 469.559 4.962 40 0 JJABRN CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(C)cc4)n[n+]32)ccc1O ZINC000261363981 570168281 /nfs/dbraw/zinc/16/82/81/570168281.db2.gz IWVOSPBHMLQRJJ-XMMPIXPASA-O 0 0 473.578 4.814 40 0 JJABRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1OC ZINC000261364626 570168602 /nfs/dbraw/zinc/16/86/02/570168602.db2.gz MPHXRJJLSSQXLC-RUZDIDTESA-O 0 0 495.625 4.740 40 0 JJABRN CCCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1 ZINC000261365584 570169110 /nfs/dbraw/zinc/16/91/10/570169110.db2.gz TYBMADYISWLJIF-RUZDIDTESA-O 0 0 495.625 4.740 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1 ZINC000261365709 570169261 /nfs/dbraw/zinc/16/92/61/570169261.db2.gz UUECMWZNKQXVHV-JOCHJYFZSA-O 0 0 455.991 4.986 40 0 JJABRN COCCCCCC(=O)Oc1cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2cc1OC ZINC000263583512 570170559 /nfs/dbraw/zinc/17/05/59/570170559.db2.gz FKWGGTJRZWVFEB-UHFFFAOYSA-N 0 0 454.475 4.506 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000409213830 570171277 /nfs/dbraw/zinc/17/12/77/570171277.db2.gz VTIKOPOXUBPJEV-UYRXBGFRSA-N 0 0 475.950 4.570 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O ZINC000409214793 570171873 /nfs/dbraw/zinc/17/18/73/570171873.db2.gz UNVHWYQPASJBQO-LFIBNONCSA-N 0 0 486.384 4.626 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1cccc(C)c1 ZINC000409216312 570172719 /nfs/dbraw/zinc/17/27/19/570172719.db2.gz GXJFKWSVABMOAD-UUYOSTAYSA-N 0 0 469.559 4.818 40 0 JJABRN O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O)Nc1ccccc1F ZINC000409217277 570173096 /nfs/dbraw/zinc/17/30/96/570173096.db2.gz OOJUYBZDYBHGLQ-LPYMAVHISA-N 0 0 479.895 4.590 40 0 JJABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O[C@@H](C)CC)C3=O)o2)cc1 ZINC000409217480 570173251 /nfs/dbraw/zinc/17/32/51/570173251.db2.gz VXTFFCOYTYIXEC-BXUJETTOSA-N 0 0 457.504 4.501 40 0 JJABRN CCCCOC(=O)c1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1Cl ZINC000409218715 570173711 /nfs/dbraw/zinc/17/37/11/570173711.db2.gz XSAQFBLWKLOXOM-UHFFFAOYSA-N 0 0 458.971 4.823 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000409225320 570175835 /nfs/dbraw/zinc/17/58/35/570175835.db2.gz MTTUHNKWWBXIKF-IWIPYMOSSA-N 0 0 486.549 4.932 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O)Nc1ccccc1Cl ZINC000409226423 570176078 /nfs/dbraw/zinc/17/60/78/570176078.db2.gz NUFYPHXNQNVTBX-AWNIVKPZSA-N 0 0 457.758 4.839 40 0 JJABRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000409227743 570176295 /nfs/dbraw/zinc/17/62/95/570176295.db2.gz VZHNWSKCYNZPAI-OEAKJJBVSA-N 0 0 460.511 4.588 40 0 JJABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)C1=O ZINC000409228262 570176619 /nfs/dbraw/zinc/17/66/19/570176619.db2.gz WMJUCVRCSMYDOD-LDADJPATSA-N 0 0 459.340 4.730 40 0 JJABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409230086 570177467 /nfs/dbraw/zinc/17/74/67/570177467.db2.gz BHEDOUDYTVVBBM-LDADJPATSA-N 0 0 483.933 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CVVZUQRSJBWSCN-OAQYLSRUSA-N 0 0 460.500 5.392 40 0 JJABRN COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1Br ZINC000409236460 570180035 /nfs/dbraw/zinc/18/00/35/570180035.db2.gz GQHUEIXSOBOKGE-VIZOYTHASA-N 0 0 499.745 4.925 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328973155 570180174 /nfs/dbraw/zinc/18/01/74/570180174.db2.gz DZMRRQRPLKWZHY-SFHVURJKSA-N 0 0 451.880 5.383 40 0 JJABRN CC(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000328979954 570180423 /nfs/dbraw/zinc/18/04/23/570180423.db2.gz GIYVEDOSBSQHMR-UHFFFAOYSA-N 0 0 452.278 4.728 40 0 JJABRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1OC ZINC000409237670 570180473 /nfs/dbraw/zinc/18/04/73/570180473.db2.gz BBABFALHUBFBTF-XLTHYULKSA-N 0 0 458.511 4.687 40 0 JJABRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328982757 570180505 /nfs/dbraw/zinc/18/05/05/570180505.db2.gz HBPSFMIBVGGFSU-NSHDSACASA-N 0 0 473.282 4.729 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328984453 570180530 /nfs/dbraw/zinc/18/05/30/570180530.db2.gz HMFYZSVJYPCKFZ-LLVKDONJSA-N 0 0 473.282 4.729 40 0 JJABRN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)ccc1Cl ZINC000328993123 570180781 /nfs/dbraw/zinc/18/07/81/570180781.db2.gz IZAFFPMZPSYGGY-UHFFFAOYSA-N 0 0 452.864 5.542 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409240539 570181735 /nfs/dbraw/zinc/18/17/35/570181735.db2.gz ULJHQOSOVHBVEP-PCLIKHOPSA-N 0 0 478.552 4.783 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329015914 570181820 /nfs/dbraw/zinc/18/18/20/570181820.db2.gz NDUDFQRLPZMCSM-LLVKDONJSA-N 0 0 473.282 4.729 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000409241324 570182102 /nfs/dbraw/zinc/18/21/02/570182102.db2.gz REFYSKDBXOZTKO-WOJGMQOQSA-N 0 0 459.340 4.648 40 0 JJABRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000329026587 570182163 /nfs/dbraw/zinc/18/21/63/570182163.db2.gz PNJLOOLXRSMUFV-IBGZPJMESA-N 0 0 492.498 5.232 40 0 JJABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCCO)n2)cccc1C(F)(F)F ZINC000329025652 570182182 /nfs/dbraw/zinc/18/21/82/570182182.db2.gz PHICQSYPORGEKE-UHFFFAOYSA-N 0 0 486.416 4.751 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329035334 570182612 /nfs/dbraw/zinc/18/26/12/570182612.db2.gz RDRYGDYGBFRZKL-FQEVSTJZSA-N 0 0 464.463 5.222 40 0 JJABRN CC[C@H](C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329038599 570182649 /nfs/dbraw/zinc/18/26/49/570182649.db2.gz RSRMQVCWWIORBV-ZDUSSCGKSA-N 0 0 452.427 4.987 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000409244866 570183738 /nfs/dbraw/zinc/18/37/38/570183738.db2.gz JWZRQYGWDCREII-DEDYPNTBSA-N 0 0 494.345 4.803 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2cc(OC)cc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329069020 570183857 /nfs/dbraw/zinc/18/38/57/570183857.db2.gz 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CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000409250966 570185761 /nfs/dbraw/zinc/18/57/61/570185761.db2.gz YZWKODGUHVPESX-WOJGMQOQSA-N 0 0 459.340 4.728 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000409261139 570187479 /nfs/dbraw/zinc/18/74/79/570187479.db2.gz AKBQFHLLDSRIHD-UHFFFAOYSA-N 0 0 453.322 4.967 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 ZINC000409263606 570188023 /nfs/dbraw/zinc/18/80/23/570188023.db2.gz IICPUBVHMIJZFM-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409267494 570188761 /nfs/dbraw/zinc/18/87/61/570188761.db2.gz WAVMWXBHFSMFEO-UHFFFAOYSA-N 0 0 486.615 4.568 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1 ZINC000408533765 570189197 /nfs/dbraw/zinc/18/91/97/570189197.db2.gz QNAQLYMOHJEICP-UHFFFAOYSA-N 0 0 486.977 4.508 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2c(C)cc(C)cc2C)cc1C ZINC000408534723 570189642 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570195011 /nfs/dbraw/zinc/19/50/11/570195011.db2.gz GJSNMFDVVJOMBU-UHFFFAOYSA-N 0 0 455.407 4.843 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408552565 570195523 /nfs/dbraw/zinc/19/55/23/570195523.db2.gz QWTHWGHJJXAQJG-UHFFFAOYSA-N 0 0 458.923 4.604 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408552599 570195544 /nfs/dbraw/zinc/19/55/44/570195544.db2.gz RHCWWKKKBPVNSY-UHFFFAOYSA-N 0 0 458.923 4.604 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NCCc1ccccc1 ZINC000408553173 570195793 /nfs/dbraw/zinc/19/57/93/570195793.db2.gz ORIKVYAVCMSTNZ-UHFFFAOYSA-N 0 0 479.385 4.532 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000408554799 570196400 /nfs/dbraw/zinc/19/64/00/570196400.db2.gz UMNZCELHNLYCLC-QMMMGPOBSA-N 0 0 472.177 4.614 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccc(Br)cc2)cc1 ZINC000409300989 570196671 /nfs/dbraw/zinc/19/66/71/570196671.db2.gz BRERHKHWTUFLAT-UHFFFAOYSA-N 0 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O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408560050 570200264 /nfs/dbraw/zinc/20/02/64/570200264.db2.gz ZTPXCOKZAYAACE-KRWDZBQOSA-N 0 0 491.382 4.781 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000408560090 570200271 /nfs/dbraw/zinc/20/02/71/570200271.db2.gz BVBPBYQHSNTXBZ-UHFFFAOYSA-N 0 0 470.978 4.726 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cccc2ccccc21 ZINC000408560545 570200502 /nfs/dbraw/zinc/20/05/02/570200502.db2.gz DEKLCTZRGCLIEE-UHFFFAOYSA-N 0 0 472.566 4.917 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 ZINC000408560802 570200573 /nfs/dbraw/zinc/20/05/73/570200573.db2.gz FDQINWPNQXRGBM-GOSISDBHSA-N 0 0 465.015 4.513 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000408560698 570200598 /nfs/dbraw/zinc/20/05/98/570200598.db2.gz PLUYSXKILJZWGE-HNNXBMFYSA-N 0 0 477.007 4.805 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2c(Cl)cccc2Cl)cc1 ZINC000409318924 570200742 /nfs/dbraw/zinc/20/07/42/570200742.db2.gz YVEVIERAZIXBBK-UHFFFAOYSA-N 0 0 457.423 4.655 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000408561137 570200842 /nfs/dbraw/zinc/20/08/42/570200842.db2.gz QXPCYQNYHOCZID-LJQANCHMSA-N 0 0 460.555 4.724 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408561466 570201051 /nfs/dbraw/zinc/20/10/51/570201051.db2.gz SVGUSMQLYZTVJN-NRFANRHFSA-N 0 0 462.493 4.542 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408561460 570201073 /nfs/dbraw/zinc/20/10/73/570201073.db2.gz SRNTWVVDAZVWCJ-HXUWFJFHSA-N 0 0 482.911 4.887 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562047 570201526 /nfs/dbraw/zinc/20/15/26/570201526.db2.gz XGWOQEYNIGWYOW-UHFFFAOYSA-N 0 0 470.978 4.738 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000408562062 570201537 /nfs/dbraw/zinc/20/15/37/570201537.db2.gz XNOSCJMRXLULMN-AWEZNQCLSA-N 0 0 490.931 4.797 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409324070 570201693 /nfs/dbraw/zinc/20/16/93/570201693.db2.gz QWYGOLLJMBXDMC-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000408563071 570202096 /nfs/dbraw/zinc/20/20/96/570202096.db2.gz TYLOPVWQAFNCSC-QGZVFWFLSA-N 0 0 465.015 4.820 40 0 JJABRN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2F)cc1 ZINC000408572899 570205055 /nfs/dbraw/zinc/20/50/55/570205055.db2.gz AKQCRORYWKCQLQ-UHFFFAOYSA-N 0 0 494.910 4.794 40 0 JJABRN Cc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Br)ccc21 ZINC000408575150 570205618 /nfs/dbraw/zinc/20/56/18/570205618.db2.gz JDSKZPMJZZYWRC-UHFFFAOYSA-N 0 0 491.345 4.673 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N1CCCCCC1 ZINC000408584799 570207725 /nfs/dbraw/zinc/20/77/25/570207725.db2.gz VHKXOCUAKTVKMC-UHFFFAOYSA-N 0 0 452.374 4.658 40 0 JJABRN 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ZINC000408579489 570206480 /nfs/dbraw/zinc/20/64/80/570206480.db2.gz NXIIIFYWAQIEGF-IBGZPJMESA-N 0 0 495.501 4.935 40 0 JJABRN Cc1ccc(CNC(=O)C(=O)Nn2c(C(=O)Nc3ccc(C)c(C)c3)cc3cc(Cl)ccc32)cc1 ZINC000408579769 570206514 /nfs/dbraw/zinc/20/65/14/570206514.db2.gz OVVIEDMIZYLZFJ-UHFFFAOYSA-N 0 0 488.975 4.859 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000408579763 570206541 /nfs/dbraw/zinc/20/65/41/570206541.db2.gz OVGDDRVJJFXHMA-JOCHJYFZSA-N 0 0 485.584 4.624 40 0 JJABRN CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc21 ZINC000408580846 570206621 /nfs/dbraw/zinc/20/66/21/570206621.db2.gz RPHQZFOROMZIIB-LLVKDONJSA-N 0 0 481.767 4.839 40 0 JJABRN COc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccc(Cl)cc3)cc3cc(Cl)ccc32)cc1 ZINC000408581368 570206718 /nfs/dbraw/zinc/20/67/18/570206718.db2.gz SOMCKAWRQBZORI-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Cl)ccc21 ZINC000408582176 570206878 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CC(=O)Nc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000022520852 519725644 /nfs/dbraw/zinc/72/56/44/519725644.db2.gz MTDAPZXCMRJGDF-UHFFFAOYSA-N 0 0 457.939 4.660 40 0 JJABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020456093 519742075 /nfs/dbraw/zinc/74/20/75/519742075.db2.gz ZWLKVRDFUYRHEV-UHFFFAOYSA-N 0 0 485.993 4.779 40 0 JJABRN CC(C)[C@@H](C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000004429644 519788709 /nfs/dbraw/zinc/78/87/09/519788709.db2.gz WWPAMUBNPTZJTG-QFIPXVFZSA-N 0 0 453.583 4.511 40 0 JJABRN CC(C)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000012487421 519836509 /nfs/dbraw/zinc/83/65/09/519836509.db2.gz KMDQCMLUMXDBBJ-MHZLTWQESA-N 0 0 499.567 4.817 40 0 JJABRN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000020461011 519836888 /nfs/dbraw/zinc/83/68/88/519836888.db2.gz PIGVTXCOYCCFSB-UHFFFAOYSA-N 0 0 479.440 4.753 40 0 JJABRN 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ZINC000020484516 523045956 /nfs/dbraw/zinc/04/59/56/523045956.db2.gz AWIZFXJPYGIMTL-HSZRJFAPSA-N 0 0 482.602 4.819 40 0 JJABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000044846951 523052041 /nfs/dbraw/zinc/05/20/41/523052041.db2.gz VCSOAUQETTVXRN-JOCHJYFZSA-N 0 0 474.966 4.946 40 0 JJABRN COc1cc2cc(CN(Cc3cccnc3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1OC ZINC000006177461 523059128 /nfs/dbraw/zinc/05/91/28/523059128.db2.gz WTVOLXFTGVKISC-GOSISDBHSA-N 0 0 488.613 4.578 40 0 JJABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000022610773 523079667 /nfs/dbraw/zinc/07/96/67/523079667.db2.gz JBIVHTKJEBPFTD-UHFFFAOYSA-N 0 0 452.301 4.719 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495612 523129482 /nfs/dbraw/zinc/12/94/82/523129482.db2.gz HGPXYYWLRHQBFC-VWLOTQADSA-N 0 0 486.551 4.757 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)C1(c2ccccc2)CCCC1 ZINC000020153569 523135225 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COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020152610 523492159 /nfs/dbraw/zinc/49/21/59/523492159.db2.gz OUPXBZFZYCCURO-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN COc1ccc(Br)cc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000022531414 523493524 /nfs/dbraw/zinc/49/35/24/523493524.db2.gz HWIYPVUPOBEPHA-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN COc1ccc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)cc2)cc1OC ZINC000012476995 523615257 /nfs/dbraw/zinc/61/52/57/523615257.db2.gz WPAKRBUOUAWICX-DEOSSOPVSA-N 0 0 464.562 4.904 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Br ZINC000020152957 523681470 /nfs/dbraw/zinc/68/14/70/523681470.db2.gz BWURKTQOBDADKZ-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NC4CCCCC4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000020466194 523740121 /nfs/dbraw/zinc/74/01/21/523740121.db2.gz JAMRJAUPPGMSDB-BEFSUNGCSA-N 0 0 484.681 4.702 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4cccs4)n3)cn2)cc1 ZINC000049155259 523746777 /nfs/dbraw/zinc/74/67/77/523746777.db2.gz CFVXBUXDMMOUGI-FQEVSTJZSA-N 0 0 461.547 4.791 40 0 biogenic,in-vitro JJABRN CC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000022528108 523789771 /nfs/dbraw/zinc/78/97/71/523789771.db2.gz IHXJWVICCLCYBM-RPWUZVMVSA-N 0 0 454.567 4.585 40 0 JJABRN CC[C@H](C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000036067881 523793272 /nfs/dbraw/zinc/79/32/72/523793272.db2.gz JYTMIGIPOBNXLB-FGZHOGPDSA-N 0 0 467.031 4.797 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c(C)cccc1C(C)C ZINC000020007330 523848828 /nfs/dbraw/zinc/84/88/28/523848828.db2.gz GDVGYUYFAFFWKF-QHCPKHFHSA-N 0 0 480.630 4.964 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000020007094 523850060 /nfs/dbraw/zinc/85/00/60/523850060.db2.gz WDCUKQHWHUFTKE-FQEVSTJZSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020007066 523851531 /nfs/dbraw/zinc/85/15/31/523851531.db2.gz SVLFQFJARQJLBT-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1 ZINC000002930872 523908626 /nfs/dbraw/zinc/90/86/26/523908626.db2.gz XANXVUBMCHUEIU-UHFFFAOYSA-N 0 0 475.501 4.619 40 0 JJABRN COc1ccc(CCNC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccc(Cl)cc23)cc1OC ZINC000033251378 523972046 /nfs/dbraw/zinc/97/20/46/523972046.db2.gz JGZHFXLXJNJUSE-UHFFFAOYSA-N 0 0 475.979 4.627 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1OC ZINC000044901503 523999800 /nfs/dbraw/zinc/99/98/00/523999800.db2.gz RBLOEBWGBOTOHP-MUUNZHRXSA-N 0 0 490.625 4.793 40 0 JJABRN COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000006320814 524013049 /nfs/dbraw/zinc/01/30/49/524013049.db2.gz RUEZCWCTJFWKPH-UHFFFAOYSA-N 0 0 492.597 4.553 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000012474269 524057725 /nfs/dbraw/zinc/05/77/25/524057725.db2.gz ACOJDWRGNFSNGO-HSZRJFAPSA-N 0 0 482.646 4.758 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCc4ccccc43)cc2c1 ZINC000006135369 524058420 /nfs/dbraw/zinc/05/84/20/524058420.db2.gz GQBWGBJWIGKKAH-HHHXNRCGSA-N 0 0 476.584 4.668 40 0 JJABRN Cc1ccc(C)c(CSc2nnc3n2c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)c1 ZINC000033256687 524109000 /nfs/dbraw/zinc/10/90/00/524109000.db2.gz MXNUOIAJQWPGMR-UHFFFAOYSA-N 0 0 477.634 4.748 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1 ZINC000012479033 524138696 /nfs/dbraw/zinc/13/86/96/524138696.db2.gz XJUWSXUKAPBQBB-AREMUKBSSA-N 0 0 490.556 4.896 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000020456306 524214222 /nfs/dbraw/zinc/21/42/22/524214222.db2.gz YGLYMKJOEKDVJG-JOCHJYFZSA-N 0 0 485.005 4.738 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)cc12 ZINC000006244785 524214773 /nfs/dbraw/zinc/21/47/73/524214773.db2.gz PBDNMFGDGKZSLT-BVZFJXPGSA-N 0 0 454.578 4.787 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000020486407 524216926 /nfs/dbraw/zinc/21/69/26/524216926.db2.gz FXVIZCHROISTCZ-KOSHJBKYSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000044841103 524217121 /nfs/dbraw/zinc/21/71/21/524217121.db2.gz AIKKPJUROSQDAN-UUOWRZLLSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccccc1-c1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)n1-n1cccc1 ZINC000016807078 524284257 /nfs/dbraw/zinc/28/42/57/524284257.db2.gz IKYABJNUXYMOBW-UHFFFAOYSA-N 0 0 453.955 4.803 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc2)c(C)c1 ZINC000020012777 524313555 /nfs/dbraw/zinc/31/35/55/524313555.db2.gz CUVZEMQTVHCMMB-SANMLTNESA-N 0 0 476.642 4.997 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 ZINC000016267508 524313563 /nfs/dbraw/zinc/31/35/63/524313563.db2.gz ABAUCTXXULANGC-UHFFFAOYSA-N 0 0 485.005 4.755 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)c(C)c1 ZINC000022539832 524315418 /nfs/dbraw/zinc/31/54/18/524315418.db2.gz UYRVFIBTNPCPKO-JOCHJYFZSA-N 0 0 456.652 4.815 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000013580732 524325586 /nfs/dbraw/zinc/32/55/86/524325586.db2.gz VCMUNOPUMRUQAF-SFHVURJKSA-N 0 0 484.549 4.666 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022539693 524328689 /nfs/dbraw/zinc/32/86/89/524328689.db2.gz ZLAKDRSBFRLPJS-CJFMBICVSA-N 0 0 468.594 4.518 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1C ZINC000022537212 524332824 /nfs/dbraw/zinc/33/28/24/524332824.db2.gz IQNYKBNRWCGGJI-NRFANRHFSA-N 0 0 472.651 4.787 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000022536739 524333590 /nfs/dbraw/zinc/33/35/90/524333590.db2.gz XCBIDXHUAZKIQC-YADHBBJMSA-N 0 0 480.630 4.908 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C ZINC000022536853 524333618 /nfs/dbraw/zinc/33/36/18/524333618.db2.gz SBULXJGPDRICLQ-FQEVSTJZSA-N 0 0 452.576 4.669 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500257 524340717 /nfs/dbraw/zinc/34/07/17/524340717.db2.gz AAPNBJSFBVUYDT-HSZRJFAPSA-N 0 0 462.598 4.879 40 0 JJABRN Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N(C)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000019569184 524352899 /nfs/dbraw/zinc/35/28/99/524352899.db2.gz QZQMWWKXIIZWSP-RUZDIDTESA-N 0 0 456.594 4.858 40 0 JJABRN COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013613780 524358860 /nfs/dbraw/zinc/35/88/60/524358860.db2.gz HIRAXXFDCBAUFI-UHFFFAOYSA-N 0 0 470.978 4.523 40 0 JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000012477336 524424824 /nfs/dbraw/zinc/42/48/24/524424824.db2.gz ZFXQTTDDJLKXGG-AREMUKBSSA-N 0 0 477.630 4.913 40 0 JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000012477343 524424871 /nfs/dbraw/zinc/42/48/71/524424871.db2.gz ZFXQTTDDJLKXGG-SANMLTNESA-N 0 0 477.630 4.913 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020458263 524428549 /nfs/dbraw/zinc/42/85/49/524428549.db2.gz FFJBCYQXPCSEOA-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)c1 ZINC000040399521 524431791 /nfs/dbraw/zinc/43/17/91/524431791.db2.gz LWGQXBIKCCBMRC-CQSZACIVSA-N 0 0 472.332 4.502 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020455734 524434215 /nfs/dbraw/zinc/43/42/15/524434215.db2.gz XQLBOQFRPLABDV-MHZLTWQESA-N 0 0 460.599 4.784 40 0 JJABRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3C(=O)OC(C)C)o2)c1 ZINC000020197029 524454555 /nfs/dbraw/zinc/45/45/55/524454555.db2.gz YIEOCUFDZPOVDB-UHFFFAOYSA-N 0 0 455.536 4.561 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1C ZINC000013506186 524509846 /nfs/dbraw/zinc/50/98/46/524509846.db2.gz FNIQKDGAMPEWRC-SANMLTNESA-N 0 0 489.641 4.928 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc3c4ccccc4c(-c4ccc(C)cc4)nn23)cc1 ZINC000022763981 524515228 /nfs/dbraw/zinc/51/52/28/524515228.db2.gz FHUGHXAHYSMTGF-UHFFFAOYSA-N 0 0 455.543 4.992 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030753828 524523486 /nfs/dbraw/zinc/52/34/86/524523486.db2.gz OBTKIHFBEULXRM-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1Cl ZINC000013682023 524597748 /nfs/dbraw/zinc/59/77/48/524597748.db2.gz AKDXTQAZEKQJHD-NRFANRHFSA-N 0 0 493.368 4.597 40 0 JJABRN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000016248130 524599033 /nfs/dbraw/zinc/59/90/33/524599033.db2.gz KCPPXDSAUDTSDZ-UHFFFAOYSA-N 0 0 463.584 4.675 40 0 JJABRN COc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Br)cc3)c3ccccc32)cc1 ZINC000016807294 524622034 /nfs/dbraw/zinc/62/20/34/524622034.db2.gz VWUSSBQJLSRIOW-UHFFFAOYSA-N 0 0 464.319 4.935 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000020448605 524639044 /nfs/dbraw/zinc/63/90/44/524639044.db2.gz QICIELKRMUEARU-HNNXBMFYSA-N 0 0 486.977 4.749 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br ZINC000016226679 524666741 /nfs/dbraw/zinc/66/67/41/524666741.db2.gz ZNZUJJHOHDNWBZ-UHFFFAOYSA-N 0 0 464.168 4.900 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536911 524692308 /nfs/dbraw/zinc/69/23/08/524692308.db2.gz MPANQTOGEKKFHV-OAQYLSRUSA-N 0 0 466.603 4.977 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537054 524695270 /nfs/dbraw/zinc/69/52/70/524695270.db2.gz GPRSGIGTGLSHDY-HNNXBMFYSA-N 0 0 492.956 4.545 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536939 524695383 /nfs/dbraw/zinc/69/53/83/524695383.db2.gz BBEPAHNKWLGETN-FQEVSTJZSA-N 0 0 482.602 4.677 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000020012548 524718480 /nfs/dbraw/zinc/71/84/80/524718480.db2.gz FNEMILLBJNWSPH-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245208 524817485 /nfs/dbraw/zinc/81/74/85/524817485.db2.gz GTMWDCVIXPFELM-UHFFFAOYSA-N 0 0 487.622 4.678 40 0 JJABRN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccccc2)c1 ZINC000017086322 524846655 /nfs/dbraw/zinc/84/66/55/524846655.db2.gz AQMQPQKNHPOKTC-SANMLTNESA-N 0 0 497.555 4.802 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013506131 524876594 /nfs/dbraw/zinc/87/65/94/524876594.db2.gz MUVPDTJKLOCFHH-HSZRJFAPSA-N 0 0 481.643 4.681 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020035066 524890148 /nfs/dbraw/zinc/89/01/48/524890148.db2.gz DPBZNUZJMXTAJI-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044899755 524894301 /nfs/dbraw/zinc/89/43/01/524894301.db2.gz WVTUPWOXEUKIKZ-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN C[C@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013667888 524945952 /nfs/dbraw/zinc/94/59/52/524945952.db2.gz WSCLYEIVGGPUJM-AWEZNQCLSA-N 0 0 457.423 4.934 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 ZINC000020010265 524946619 /nfs/dbraw/zinc/94/66/19/524946619.db2.gz KCJVWQZVUCBFNF-KRWDZBQOSA-N 0 0 479.440 4.650 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2)cc1OC ZINC000044901137 525005079 /nfs/dbraw/zinc/00/50/79/525005079.db2.gz LDOZMYIWCASFAN-IBGZPJMESA-N 0 0 482.602 4.637 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2cccc(Cl)c2)cc1 ZINC000022533930 525012132 /nfs/dbraw/zinc/01/21/32/525012132.db2.gz KHUSROKUDXGOGH-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022535648 525013212 /nfs/dbraw/zinc/01/32/12/525013212.db2.gz DOVXEHSNHBRVNO-QHCPKHFHSA-N 0 0 494.657 4.731 40 0 JJABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4cc5ccccc5s4)ccc(=O)n2C3)cc1 ZINC000004237429 525047971 /nfs/dbraw/zinc/04/79/71/525047971.db2.gz KMHZFQJHPVYRKE-PKOBYXMFSA-N 0 0 492.622 4.547 40 0 biogenic,in-vitro JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539729 525075270 /nfs/dbraw/zinc/07/52/70/525075270.db2.gz GZGLMHAEJYMCGA-ATIYNZHBSA-N 0 0 494.657 4.696 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000020456602 525099672 /nfs/dbraw/zinc/09/96/72/525099672.db2.gz RXQSVWCIMOQQND-FVFHPELPSA-N 0 0 484.637 4.937 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC ZINC000038753982 525109373 /nfs/dbraw/zinc/10/93/73/525109373.db2.gz YWUVTJDJCDQQJI-KRWDZBQOSA-N 0 0 450.560 4.753 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)cc1OC ZINC000013502222 525115020 /nfs/dbraw/zinc/11/50/20/525115020.db2.gz SMQNNVHQXWYTBV-VWLOTQADSA-N 0 0 477.561 4.524 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2cc(C)ccc2C)[C@@H](C(=O)NC2CCCC2)c2ccco2)no1 ZINC000004411111 525122197 /nfs/dbraw/zinc/12/21/97/525122197.db2.gz FKOIYMOYCMAJCP-AREMUKBSSA-N 0 0 492.576 4.745 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429292 525132974 /nfs/dbraw/zinc/13/29/74/525132974.db2.gz BMVAPKAZIFNNAF-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000020014387 525133633 /nfs/dbraw/zinc/13/36/33/525133633.db2.gz CTIFRIAAPKVYRV-QGZVFWFLSA-N 0 0 495.041 4.558 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000022531161 525133893 /nfs/dbraw/zinc/13/38/93/525133893.db2.gz FVOVIOZZGVDWRK-AOXVDABRSA-N 0 0 496.673 4.806 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000044901297 525143104 /nfs/dbraw/zinc/14/31/04/525143104.db2.gz BJHMWRWBHFRSGV-MRXNPFEDSA-N 0 0 458.967 4.949 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020480987 525143756 /nfs/dbraw/zinc/14/37/56/525143756.db2.gz ALKVUKQEQOXDAE-MRXNPFEDSA-N 0 0 458.967 4.949 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cc(F)ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936309 525172648 /nfs/dbraw/zinc/17/26/48/525172648.db2.gz DBLGMNQRDIHHQC-HSZRJFAPSA-N 0 0 456.539 4.533 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000020106578 525177338 /nfs/dbraw/zinc/17/73/38/525177338.db2.gz UEHGGMUDHWVHJM-XMMPIXPASA-N 0 0 488.650 4.786 40 0 JJABRN C[C@H](NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000020453527 525210966 /nfs/dbraw/zinc/21/09/66/525210966.db2.gz FHDROQYBYBNXLX-INIZCTEOSA-N 0 0 460.958 4.936 40 0 JJABRN C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000022606178 525221204 /nfs/dbraw/zinc/22/12/04/525221204.db2.gz ILOWCOVSYJCBAA-HOTGVXAUSA-N 0 0 456.514 4.596 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cnccn2)c2ccc(C(C)=O)cc2)cc1 ZINC000006074107 525286806 /nfs/dbraw/zinc/28/68/06/525286806.db2.gz HYVJWBPDELDJEO-AREMUKBSSA-N 0 0 486.572 4.525 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccc(F)c(Cl)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936015 525344315 /nfs/dbraw/zinc/34/43/15/525344315.db2.gz NLJYTNDJPGYIBY-QFIPXVFZSA-N 0 0 476.957 4.878 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000044880384 525346921 /nfs/dbraw/zinc/34/69/21/525346921.db2.gz QBSMGCXEOPNMIU-QFIPXVFZSA-N 0 0 497.057 4.807 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(C)cc5)nc4nc3C2)cc1OC ZINC000019816568 525405110 /nfs/dbraw/zinc/40/51/10/525405110.db2.gz OLVLPOKMIKASRE-GOSISDBHSA-N 0 0 460.559 4.655 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(Cl)cc2)cc1 ZINC000013671372 525502674 /nfs/dbraw/zinc/50/26/74/525502674.db2.gz YEIYVPGKUSWZGD-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000020105127 525505232 /nfs/dbraw/zinc/50/52/32/525505232.db2.gz GEDNGABSQLLVAR-UHFFFAOYSA-N 0 0 481.376 4.953 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccccc2C)cc1 ZINC000022430122 525505666 /nfs/dbraw/zinc/50/56/66/525505666.db2.gz TZBJNABGAIYKHV-UHFFFAOYSA-N 0 0 466.603 4.602 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2cccc(C)c2)cc1 ZINC000022535959 525506797 /nfs/dbraw/zinc/50/67/97/525506797.db2.gz VYLUVNBPPLBYAB-HXUWFJFHSA-N 0 0 454.567 4.511 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1 ZINC000022535449 525507039 /nfs/dbraw/zinc/50/70/39/525507039.db2.gz GUVPKAJIRJOIII-QHCPKHFHSA-N 0 0 464.631 4.989 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2c(F)cccc2Cl)cc1 ZINC000022535867 525507884 /nfs/dbraw/zinc/50/78/84/525507884.db2.gz WKGIFQVJVXKIPD-QGZVFWFLSA-N 0 0 492.975 4.995 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccccc2Cl)cc1 ZINC000022535947 525508058 /nfs/dbraw/zinc/50/80/58/525508058.db2.gz DMTWTWOPGBRJCB-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000022521602 525528657 /nfs/dbraw/zinc/52/86/57/525528657.db2.gz ZKXPQJHIWFEGRN-OAHLLOKOSA-N 0 0 467.418 4.513 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccco3)c(Cl)c2)cc1 ZINC000022527504 525600567 /nfs/dbraw/zinc/60/05/67/525600567.db2.gz QPKKAXHEVFZJHI-UHFFFAOYSA-N 0 0 464.996 4.705 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCCC3)c2)cc1 ZINC000044883963 525602918 /nfs/dbraw/zinc/60/29/18/525602918.db2.gz QSTBAOPIOFFSOH-UHFFFAOYSA-N 0 0 498.004 4.938 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2cccc(F)c2)cc1 ZINC000013501478 525676035 /nfs/dbraw/zinc/67/60/35/525676035.db2.gz QXPLFNNUCQBINZ-SANMLTNESA-N 0 0 490.579 4.937 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2F)o1 ZINC000013506379 525677601 /nfs/dbraw/zinc/67/76/01/525677601.db2.gz DKGAWXHPPOADHK-DEOSSOPVSA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 ZINC000020483349 525695398 /nfs/dbraw/zinc/69/53/98/525695398.db2.gz ZDFHSEBMZKRWGV-CQSZACIVSA-N 0 0 462.921 4.619 40 0 JJABRN COc1cccc(-c2nn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=S)n2-n2cccc2)c1 ZINC000016778079 525731936 /nfs/dbraw/zinc/73/19/36/525731936.db2.gz LZYCRSJEFOYDER-UHFFFAOYSA-N 0 0 453.955 4.803 40 0 JJABRN C[C@@H](O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]12 ZINC000012383213 525744312 /nfs/dbraw/zinc/74/43/12/525744312.db2.gz BWPWEBDBEVUZJT-VKHQOIBJSA-N 0 0 463.455 4.637 40 0 JJABRN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000020050387 525768891 /nfs/dbraw/zinc/76/88/91/525768891.db2.gz HYGHWEBGNNTBQP-SANMLTNESA-N 0 0 480.605 4.582 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496465 525786044 /nfs/dbraw/zinc/78/60/44/525786044.db2.gz ORKABBOFZJCANG-VWLOTQADSA-N 0 0 481.629 4.551 40 0 JJABRN COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(OC)c3OC)c(Cl)c2)c1OC ZINC000016779986 525834000 /nfs/dbraw/zinc/83/40/00/525834000.db2.gz OJHWLFRZSXGYGT-UHFFFAOYSA-N 0 0 470.909 4.879 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2cc(C)ccc2C)o1 ZINC000013506023 525874251 /nfs/dbraw/zinc/87/42/51/525874251.db2.gz MGJVPDQYESDQFP-RUZDIDTESA-N 0 0 493.629 4.829 40 0 JJABRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3C)nnc2-c2cnccn2)cc1 ZINC000016789570 525899927 /nfs/dbraw/zinc/89/99/27/525899927.db2.gz WYFKJTRIAGJPIN-UHFFFAOYSA-N 0 0 495.406 4.834 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000044848417 525910455 /nfs/dbraw/zinc/91/04/55/525910455.db2.gz OLNMHULKKPZDRH-IBGZPJMESA-N 0 0 454.567 4.900 40 0 JJABRN C[C@H](C(=O)N(C)Cc1cccnc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466602 525941480 /nfs/dbraw/zinc/94/14/80/525941480.db2.gz VSOJUJGMVKTWOM-AZCBIJCDSA-N 0 0 483.697 4.565 40 0 biogenic,in-vitro JJABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036092692 525966254 /nfs/dbraw/zinc/96/62/54/525966254.db2.gz AQMCEDIBAFOPEA-WZONZLPQSA-N 0 0 456.995 4.709 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1 ZINC000020456385 526051527 /nfs/dbraw/zinc/05/15/27/526051527.db2.gz SVJUNXCBLJENLE-MRXNPFEDSA-N 0 0 458.580 4.864 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012144 526066594 /nfs/dbraw/zinc/06/65/94/526066594.db2.gz KLYLTKDAXIEONR-IBGZPJMESA-N 0 0 486.634 4.924 40 0 JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466369 526079983 /nfs/dbraw/zinc/07/99/83/526079983.db2.gz GHVDDKULJOZMAX-IGSFEVEDSA-N 0 0 474.661 4.822 40 0 biogenic,in-vitro JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc(C)c(Cl)c3)cc2c1 ZINC000006408448 526096961 /nfs/dbraw/zinc/09/69/61/526096961.db2.gz RKFCGSPFWMBBNA-UHFFFAOYSA-N 0 0 456.951 4.782 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Cl ZINC000016312735 526143927 /nfs/dbraw/zinc/14/39/27/526143927.db2.gz ZMNONNIVHKLOSZ-UHFFFAOYSA-N 0 0 457.905 4.631 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 ZINC000022572263 526215617 /nfs/dbraw/zinc/21/56/17/526215617.db2.gz WWCJPKGCNSYNFH-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1 ZINC000022748578 526215954 /nfs/dbraw/zinc/21/59/54/526215954.db2.gz FRJODMFFUNWUDB-UHFFFAOYSA-N 0 0 490.537 4.613 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000022531754 526216068 /nfs/dbraw/zinc/21/60/68/526216068.db2.gz BARJFJGEUUBLQE-UHFFFAOYSA-N 0 0 451.479 4.778 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1 ZINC000044949815 526237731 /nfs/dbraw/zinc/23/77/31/526237731.db2.gz JTUMSXJAIPNJFQ-INIZCTEOSA-N 0 0 474.966 4.864 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)c1 ZINC000013502240 526246742 /nfs/dbraw/zinc/24/67/42/526246742.db2.gz FMJLLBQQPKCYPT-DEOSSOPVSA-N 0 0 463.603 4.984 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000013509615 526383474 /nfs/dbraw/zinc/38/34/74/526383474.db2.gz MARWLXVPDJWEQO-UHFFFAOYSA-N 0 0 497.448 4.959 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505625 526383479 /nfs/dbraw/zinc/38/34/79/526383479.db2.gz TWLVRGUHVNOHDF-DEOSSOPVSA-N 0 0 484.666 4.845 40 0 JJABRN O=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@@H](C(F)(F)F)C[C@@H]1C1CC1 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JJABRN CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc(OCC)c1OCC ZINC000008901113 554794191 /nfs/dbraw/zinc/79/41/91/554794191.db2.gz XYBYEFMRARNQGF-UHFFFAOYSA-N 0 0 482.499 4.990 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)c1 ZINC000008903364 554797453 /nfs/dbraw/zinc/79/74/53/554797453.db2.gz RRGOAOBLIIKJOQ-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)CC2)c1 ZINC000008903351 554797548 /nfs/dbraw/zinc/79/75/48/554797548.db2.gz NJJHCCJFIRNVQV-UHFFFAOYSA-N 0 0 473.573 4.535 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 ZINC000008903798 554798054 /nfs/dbraw/zinc/79/80/54/554798054.db2.gz JXYILVABAKBHGJ-UHFFFAOYSA-N 0 0 457.577 4.777 40 0 JJABRN CC(C)COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000008904452 554798681 /nfs/dbraw/zinc/79/86/81/554798681.db2.gz AELPNVPMKQBEDW-UHFFFAOYSA-N 0 0 458.002 4.932 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000008904463 554798726 /nfs/dbraw/zinc/79/87/26/554798726.db2.gz MCZZRCAXMFEBCN-UHFFFAOYSA-N 0 0 472.029 4.960 40 0 JJABRN O=C1N[C@@H](c2ccc(Cl)c(Cl)c2)C(=C(O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000008915314 554808906 /nfs/dbraw/zinc/80/89/06/554808906.db2.gz OHNOHZYIEIIUNQ-JKIFEVAISA-N 0 0 467.658 4.751 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 ZINC000008997458 554858877 /nfs/dbraw/zinc/85/88/77/554858877.db2.gz ACUCFVXPLDGQHU-KIHHCIJBSA-N 0 0 487.918 4.508 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1Br ZINC000009064532 554882508 /nfs/dbraw/zinc/88/25/08/554882508.db2.gz GBCDRGKCBYSAID-UHFFFAOYSA-N 0 0 473.396 4.515 40 0 JJABRN O=C(Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1)c1cc2ccccc2o1 ZINC000009064612 554882950 /nfs/dbraw/zinc/88/29/50/554882950.db2.gz UVYSZTYRSHWQDI-UHFFFAOYSA-N 0 0 473.510 4.583 40 0 JJABRN CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OCc4ccccc4)c3)NC2=S)cc1 ZINC000009189168 554961198 /nfs/dbraw/zinc/96/11/98/554961198.db2.gz IBKDHPSUYZRZSZ-PXLXIMEGSA-N 0 0 460.555 4.935 40 0 JJABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3c(C)cccc3C)CC2=O)cc1 ZINC000009234666 555008540 /nfs/dbraw/zinc/00/85/40/555008540.db2.gz XYSOXXLROIXGSO-HXUWFJFHSA-N 0 0 471.557 4.946 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281283 555050536 /nfs/dbraw/zinc/05/05/36/555050536.db2.gz OMZCJLFMQVLRGE-ZODMCCGTSA-N 0 0 458.986 4.664 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc4ccccc4[C@@H]32)cc1 ZINC000009332613 555101710 /nfs/dbraw/zinc/10/17/10/555101710.db2.gz CMIBTSDRLYJTPQ-NGSHPTGOSA-N 0 0 483.955 4.803 40 0 JJABRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009359929 555123405 /nfs/dbraw/zinc/12/34/05/555123405.db2.gz CWWKVNPKUFVXGT-YPAWHYETSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000013424510 555398694 /nfs/dbraw/zinc/39/86/94/555398694.db2.gz YQXXJICHQCEABP-SFHVURJKSA-N 0 0 490.004 4.901 40 0 JJABRN Cc1cccc(CCN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013494346 555404193 /nfs/dbraw/zinc/40/41/93/555404193.db2.gz MFSDLFPPHSBBNX-XMMPIXPASA-N 0 0 480.609 4.861 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494443 555404597 /nfs/dbraw/zinc/40/45/97/555404597.db2.gz DCBMRPSMROBJNM-QFIPXVFZSA-N 0 0 462.573 4.871 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494444 555404602 /nfs/dbraw/zinc/40/46/02/555404602.db2.gz AEMFSOUESFFNPX-HSZRJFAPSA-N 0 0 462.573 4.871 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494547 555404828 /nfs/dbraw/zinc/40/48/28/555404828.db2.gz OYURSUXSUXZMSB-RUZDIDTESA-N 0 0 488.636 4.864 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494527 555404986 /nfs/dbraw/zinc/40/49/86/555404986.db2.gz UOCSCUGIHUCCNC-JOCHJYFZSA-N 0 0 480.638 4.883 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494652 555405377 /nfs/dbraw/zinc/40/53/77/555405377.db2.gz YIXOIELBQQBRDH-RUZDIDTESA-N 0 0 468.561 4.618 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495606 555408479 /nfs/dbraw/zinc/40/84/79/555408479.db2.gz NVTNQAFLUZISOT-RUZDIDTESA-N 0 0 468.561 4.618 40 0 JJABRN Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496322 555411452 /nfs/dbraw/zinc/41/14/52/555411452.db2.gz QRZDELSEQOETIZ-VWLOTQADSA-N 0 0 499.619 4.576 40 0 JJABRN CCOC(=O)CCC(=O)Nc1ccc2nc(C)n(Cc3ccc(-c4ccc(OC)cc4)cc3)c(=O)c2c1 ZINC000013496487 555412029 /nfs/dbraw/zinc/41/20/29/555412029.db2.gz CUUJUEIVQDTSEG-UHFFFAOYSA-N 0 0 499.567 4.711 40 0 JJABRN CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013497199 555412852 /nfs/dbraw/zinc/41/28/52/555412852.db2.gz ZZJBCSLHZWYAHY-QHCPKHFHSA-N 0 0 458.624 4.816 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013497574 555414032 /nfs/dbraw/zinc/41/40/32/555414032.db2.gz NVBUDPSWCFSANT-XMMPIXPASA-N 0 0 480.586 4.812 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1 ZINC000013497937 555416589 /nfs/dbraw/zinc/41/65/89/555416589.db2.gz AKRICQZEVHTNGZ-RUZDIDTESA-N 0 0 463.603 4.523 40 0 JJABRN Cc1ccc2cc(CN(Cc3cccs3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498580 555422610 /nfs/dbraw/zinc/42/26/10/555422610.db2.gz NJHPCNNIZBMWSB-DEOSSOPVSA-N 0 0 488.617 4.925 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498632 555423011 /nfs/dbraw/zinc/42/30/11/555423011.db2.gz XOXOOKTWDBIAAQ-XMMPIXPASA-N 0 0 476.581 4.631 40 0 JJABRN COc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498701 555423763 /nfs/dbraw/zinc/42/37/63/555423763.db2.gz JUKKNPPSECNPKE-XMMPIXPASA-N 0 0 474.609 4.678 40 0 JJABRN COc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498757 555424174 /nfs/dbraw/zinc/42/41/74/555424174.db2.gz PWWVHEYXOOSVJU-AREMUKBSSA-N 0 0 498.587 4.564 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(C)ccc4OC)n21)CCCC3 ZINC000013499919 555435472 /nfs/dbraw/zinc/43/54/72/555435472.db2.gz UKJVXGSGXCHLOW-UHFFFAOYSA-N 0 0 467.620 4.828 40 0 JJABRN COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500233 555438060 /nfs/dbraw/zinc/43/80/60/555438060.db2.gz SYCDTEJRHAOARB-VWLOTQADSA-N 0 0 488.636 4.986 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500309 555438866 /nfs/dbraw/zinc/43/88/66/555438866.db2.gz YGXONDMYLQYHBV-AREMUKBSSA-N 0 0 482.588 4.864 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500743 555443462 /nfs/dbraw/zinc/44/34/62/555443462.db2.gz LEIWZHOTQBIIDW-QHCPKHFHSA-N 0 0 478.597 4.805 40 0 JJABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500792 555443963 /nfs/dbraw/zinc/44/39/63/555443963.db2.gz IULVWCWWUAZONI-LOSJGSFVSA-N 0 0 486.620 4.546 40 0 JJABRN CCC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500870 555444948 /nfs/dbraw/zinc/44/49/48/555444948.db2.gz MWYLKDQALXQDIH-BJKOFHAPSA-N 0 0 478.641 4.851 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500908 555445114 /nfs/dbraw/zinc/44/51/14/555445114.db2.gz LPNOBIVAZAKTOJ-HSZRJFAPSA-N 0 0 472.549 4.601 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 ZINC000013501464 555449796 /nfs/dbraw/zinc/44/97/96/555449796.db2.gz CNUTVUZOWFSXHW-SANMLTNESA-N 0 0 488.588 4.504 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501498 555450214 /nfs/dbraw/zinc/45/02/14/555450214.db2.gz DIIVCOOXRLTVMI-GDLZYMKVSA-N 0 0 498.627 4.938 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501750 555451253 /nfs/dbraw/zinc/45/12/53/555451253.db2.gz YSFIFFUXQLTZOL-QHCPKHFHSA-N 0 0 482.581 4.608 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000013501784 555451486 /nfs/dbraw/zinc/45/14/86/555451486.db2.gz HXMYNAUWRRVRRB-QHCPKHFHSA-N 0 0 496.608 4.999 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501825 555451521 /nfs/dbraw/zinc/45/15/21/555451521.db2.gz ICCXEPCHCWTKTI-JOCHJYFZSA-N 0 0 498.674 4.917 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 ZINC000013501790 555451534 /nfs/dbraw/zinc/45/15/34/555451534.db2.gz KHLFVHBUGKLAAL-HSZRJFAPSA-N 0 0 496.608 4.686 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000013501844 555451752 /nfs/dbraw/zinc/45/17/52/555451752.db2.gz XSRILHJBYCRCGX-JOCHJYFZSA-N 0 0 488.629 4.818 40 0 JJABRN COC(=O)c1sc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)nc1C ZINC000013502015 555452512 /nfs/dbraw/zinc/45/25/12/555452512.db2.gz LKIBKOHCZQROPZ-UHFFFAOYSA-N 0 0 470.601 4.949 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)cc1 ZINC000013502322 555454340 /nfs/dbraw/zinc/45/43/40/555454340.db2.gz KPBYUJJNBRCFOX-XMMPIXPASA-N 0 0 463.603 4.984 40 0 JJABRN COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000013502609 555456190 /nfs/dbraw/zinc/45/61/90/555456190.db2.gz GMMBZDNNLPNNNT-UHFFFAOYSA-N 0 0 476.602 4.966 40 0 JJABRN Cc1ccc([C@H](c2nnnn2CCC(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013505350 555465991 /nfs/dbraw/zinc/46/59/91/555465991.db2.gz VIYRZAKGAIAEEC-HSZRJFAPSA-N 0 0 461.639 4.549 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2F)[C@H](C(=O)NC2CCCC2)c2ccccc2)no1 ZINC000013505698 555467517 /nfs/dbraw/zinc/46/75/17/555467517.db2.gz FHXJWJVKOIRCII-SANMLTNESA-N 0 0 492.551 4.674 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2C)no1 ZINC000013505730 555467741 /nfs/dbraw/zinc/46/77/41/555467741.db2.gz WVSAXLUKPATAAE-MHZLTWQESA-N 0 0 488.588 4.843 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)cc2)N(C[C@H]2CCCO2)C(=O)Cc2cccs2)cc1 ZINC000013505953 555468793 /nfs/dbraw/zinc/46/87/93/555468793.db2.gz LOAAPRBRLAYRQK-SHQCIBLASA-N 0 0 492.641 4.673 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1cccc(OC)c1 ZINC000013505958 555468825 /nfs/dbraw/zinc/46/88/25/555468825.db2.gz DAMFGTCVJNBFIF-AREMUKBSSA-N 0 0 480.630 4.994 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013505982 555469033 /nfs/dbraw/zinc/46/90/33/555469033.db2.gz YSIIXNLYVBZAKO-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013506132 555469810 /nfs/dbraw/zinc/46/98/10/555469810.db2.gz MUVPDTJKLOCFHH-QHCPKHFHSA-N 0 0 481.643 4.681 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506139 555470123 /nfs/dbraw/zinc/47/01/23/555470123.db2.gz DLFIGMJVKGOTHC-XMMPIXPASA-N 0 0 495.670 4.990 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013506189 555470270 /nfs/dbraw/zinc/47/02/70/555470270.db2.gz SIPVCLPPZNBMSU-AREMUKBSSA-N 0 0 489.641 4.928 40 0 JJABRN CCc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506192 555470362 /nfs/dbraw/zinc/47/03/62/555470362.db2.gz ANOXODUDJMVTFG-SANMLTNESA-N 0 0 489.641 4.874 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)cc1 ZINC000013506238 555470551 /nfs/dbraw/zinc/47/05/51/555470551.db2.gz WNWACIPXVFPTFH-DEOSSOPVSA-N 0 0 495.670 4.677 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2cccc(C)c2)o1 ZINC000013506398 555471276 /nfs/dbraw/zinc/47/12/76/555471276.db2.gz HQNLKEAINJKNJN-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000013506429 555471574 /nfs/dbraw/zinc/47/15/74/555471574.db2.gz BNWWTVOOLSNYHX-DEOSSOPVSA-N 0 0 479.602 4.603 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013506498 555471799 /nfs/dbraw/zinc/47/17/99/555471799.db2.gz LIDFSMXURPBKGP-RUZDIDTESA-N 0 0 493.604 4.840 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2C)c(C)c1 ZINC000013506891 555474404 /nfs/dbraw/zinc/47/44/04/555474404.db2.gz RWFJOLNXNNATDG-HHHXNRCGSA-N 0 0 487.600 4.768 40 0 JJABRN O=C(NCC(=O)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1ccco1 ZINC000013507415 555475955 /nfs/dbraw/zinc/47/59/55/555475955.db2.gz WPZDXSYSEMLGOL-XMMPIXPASA-N 0 0 497.954 4.635 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013507431 555476206 /nfs/dbraw/zinc/47/62/06/555476206.db2.gz DCMRPPZWDKXHER-VWLOTQADSA-N 0 0 493.991 4.805 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013507723 555476742 /nfs/dbraw/zinc/47/67/42/555476742.db2.gz OKOBANKERCYGSW-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)cc1 ZINC000013507902 555477170 /nfs/dbraw/zinc/47/71/70/555477170.db2.gz IIXIPOXBATXHSD-AREMUKBSSA-N 0 0 473.573 4.541 40 0 JJABRN COCCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000013510044 555481934 /nfs/dbraw/zinc/48/19/34/555481934.db2.gz AQFKTFMRJKKZPK-UHFFFAOYSA-N 0 0 469.607 4.742 40 0 JJABRN COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000013562436 555496748 /nfs/dbraw/zinc/49/67/48/555496748.db2.gz CUPBSFNAQWCAOA-ROUUACIJSA-N 0 0 496.633 4.574 40 0 JJABRN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013563293 555498081 /nfs/dbraw/zinc/49/80/81/555498081.db2.gz ASXVFWBECPQAOH-BHIFYINESA-N 0 0 452.869 4.539 40 0 JJABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1ccc2c(c1)OCCO2)C1CCCC1 ZINC000013563913 555498749 /nfs/dbraw/zinc/49/87/49/555498749.db2.gz UDWPIJGYQXEHJM-HSZRJFAPSA-N 0 0 454.542 4.638 40 0 JJABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc([C@@H](C)O)cc4)cc3N2)cc1 ZINC000009780625 555500244 /nfs/dbraw/zinc/50/02/44/555500244.db2.gz DCVRCVVTEFZOJA-CFSSXQINSA-N 0 0 460.456 4.858 40 0 JJABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F ZINC000013564956 555500322 /nfs/dbraw/zinc/50/03/22/555500322.db2.gz DOOVLHUZFXZHRN-UHFFFAOYSA-N 0 0 478.593 4.885 40 0 JJABRN Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)CN5CCCCC5)n4)ccc32)c1 ZINC000013564961 555500330 /nfs/dbraw/zinc/50/03/30/555500330.db2.gz XMRJBSRDLPSCQR-UHFFFAOYSA-N 0 0 460.603 4.746 40 0 JJABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)c1ccc2c(c1)OCCO2 ZINC000013565049 555500914 /nfs/dbraw/zinc/50/09/14/555500914.db2.gz UZSAGPVZVQTXNV-UHFFFAOYSA-N 0 0 462.477 4.790 40 0 JJABRN C[C@H](Sc1nnc(-c2ccco2)c(-c2ccco2)n1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000013566445 555503275 /nfs/dbraw/zinc/50/32/75/555503275.db2.gz CQGLQBSJXRAACT-HNNXBMFYSA-N 0 0 460.515 4.882 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccccc2F)cc1 ZINC000019855592 555512752 /nfs/dbraw/zinc/51/27/52/555512752.db2.gz UDOINDAOVVKULI-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc2F)cc1 ZINC000019855591 555512818 /nfs/dbraw/zinc/51/28/18/555512818.db2.gz AAADMCGTQDSGNM-UHFFFAOYSA-N 0 0 477.355 4.731 40 0 JJABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019856158 555514290 /nfs/dbraw/zinc/51/42/90/555514290.db2.gz KAQBBGWHFYWPMS-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019856655 555516919 /nfs/dbraw/zinc/51/69/19/555516919.db2.gz ACVISWKIAYFAQF-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019856693 555517140 /nfs/dbraw/zinc/51/71/40/555517140.db2.gz OMTFOIYAEUJMCO-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856909 555517924 /nfs/dbraw/zinc/51/79/24/555517924.db2.gz RRUPWEATISYOBI-UHFFFAOYSA-N 0 0 468.644 4.792 40 0 JJABRN CN(c1ccccc1C(=O)NCCSCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 ZINC000019856954 555518311 /nfs/dbraw/zinc/51/83/11/555518311.db2.gz XTPSRLKVSDPKLZ-UHFFFAOYSA-N 0 0 493.025 4.967 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000019856984 555518538 /nfs/dbraw/zinc/51/85/38/555518538.db2.gz SNCVXGVJPSOWNK-UHFFFAOYSA-N 0 0 498.048 4.744 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000013580878 555519272 /nfs/dbraw/zinc/51/92/72/555519272.db2.gz LQXMCRYRAZGDHZ-GOSISDBHSA-N 0 0 484.549 4.666 40 0 JJABRN CN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013584539 555522424 /nfs/dbraw/zinc/52/24/24/555522424.db2.gz KHOXVNMSJXIBLQ-UHFFFAOYSA-N 0 0 479.421 4.725 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000013584736 555522642 /nfs/dbraw/zinc/52/26/42/555522642.db2.gz ABLCBRWQTAFFHG-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868331 555522779 /nfs/dbraw/zinc/52/27/79/555522779.db2.gz GSJMGWBLIWXULB-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000013584948 555522907 /nfs/dbraw/zinc/52/29/07/555522907.db2.gz ODLAJQGPBLUSAT-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000013585211 555523188 /nfs/dbraw/zinc/52/31/88/555523188.db2.gz UQIMTDCVIGKAQP-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585287 555523445 /nfs/dbraw/zinc/52/34/45/555523445.db2.gz RSZJBLUNTWHNAK-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(Br)cc1F ZINC000019869090 555523893 /nfs/dbraw/zinc/52/38/93/555523893.db2.gz YYLVWDUMIZXQNM-UHFFFAOYSA-N 0 0 479.302 4.542 40 0 JJABRN Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585983 555524278 /nfs/dbraw/zinc/52/42/78/555524278.db2.gz NIGMCLFMIFGMMP-UHFFFAOYSA-N 0 0 494.638 4.733 40 0 JJABRN O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)C1(CO)c3ccccc3C2c2ccccc21 ZINC000013590872 555525211 /nfs/dbraw/zinc/52/52/11/555525211.db2.gz FKDLCASMIHLVDB-YCIYHOANSA-N 0 0 450.321 4.537 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000013597409 555529354 /nfs/dbraw/zinc/52/93/54/555529354.db2.gz XGWGFGYXGUMXJS-VJBWXMMDSA-N 0 0 482.895 4.547 40 0 JJABRN COc1ccc(CCNC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)cc1 ZINC000013609544 555532817 /nfs/dbraw/zinc/53/28/17/555532817.db2.gz WKSZCIVNYWTJSR-UHFFFAOYSA-N 0 0 462.933 4.819 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000013613786 555535630 /nfs/dbraw/zinc/53/56/30/555535630.db2.gz PCJCLSXMOHIFGI-UHFFFAOYSA-N 0 0 466.559 4.558 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000013613820 555535636 /nfs/dbraw/zinc/53/56/36/555535636.db2.gz NERCDIIOEVHHEA-KRWDZBQOSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)cc1 ZINC000013613802 555535645 /nfs/dbraw/zinc/53/56/45/555535645.db2.gz FPBOYFGHMOLFEC-QFIPXVFZSA-N 0 0 450.560 4.828 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000013613877 555535699 /nfs/dbraw/zinc/53/56/99/555535699.db2.gz COZDGFWPBICGTD-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCn1c(SCC(=O)Nc2ccccc2I)nnc1-c1ccccc1Cl ZINC000019928245 555543545 /nfs/dbraw/zinc/54/35/45/555543545.db2.gz FLBXYSHDXGUSDY-UHFFFAOYSA-N 0 0 498.777 4.954 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928875 555545007 /nfs/dbraw/zinc/54/50/07/555545007.db2.gz NQDDSYCUXXWGRK-UHFFFAOYSA-N 0 0 491.411 4.784 40 0 JJABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(Br)c2)o1 ZINC000019929128 555545319 /nfs/dbraw/zinc/54/53/19/555545319.db2.gz BRQJNPPOSWEQFI-UHFFFAOYSA-N 0 0 454.733 4.892 40 0 JJABRN CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929363 555546183 /nfs/dbraw/zinc/54/61/83/555546183.db2.gz XEEUKLALASMFGO-UHFFFAOYSA-N 0 0 454.943 4.919 40 0 JJABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(NC(C)=O)cc1 ZINC000019929376 555546587 /nfs/dbraw/zinc/54/65/87/555546587.db2.gz RGRPCVFPDIQOBZ-UHFFFAOYSA-N 0 0 454.943 4.919 40 0 JJABRN CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930168 555547536 /nfs/dbraw/zinc/54/75/36/555547536.db2.gz TUTLTWFVYCILRJ-UHFFFAOYSA-N 0 0 486.204 4.958 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019931575 555548894 /nfs/dbraw/zinc/54/88/94/555548894.db2.gz XXEROYAYPYJWFF-HXUWFJFHSA-N 0 0 482.602 4.557 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000013646743 555551116 /nfs/dbraw/zinc/55/11/16/555551116.db2.gz KXLNLHYEWAUEMQ-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000019934216 555551247 /nfs/dbraw/zinc/55/12/47/555551247.db2.gz NZCOJDOJXUOMAI-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(Br)c2)cc1 ZINC000013647525 555551694 /nfs/dbraw/zinc/55/16/94/555551694.db2.gz KRTPVVKXOBXAPC-UHFFFAOYSA-N 0 0 473.392 4.616 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019934429 555551970 /nfs/dbraw/zinc/55/19/70/555551970.db2.gz OODWDYSQTTVRFE-XMMPIXPASA-N 0 0 493.069 4.794 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000013648381 555552683 /nfs/dbraw/zinc/55/26/83/555552683.db2.gz OBBBCIMEZXIEBL-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013648695 555553063 /nfs/dbraw/zinc/55/30/63/555553063.db2.gz XKVOIHJBYUTTCN-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cc(C)cc(C)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935905 555553113 /nfs/dbraw/zinc/55/31/13/555553113.db2.gz XRTBZAPQHIFLGG-XMMPIXPASA-N 0 0 452.576 4.703 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000013648906 555553262 /nfs/dbraw/zinc/55/32/62/555553262.db2.gz RTJOSVLYRQYBFE-UHFFFAOYSA-N 0 0 456.995 4.669 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccccc2SC)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936223 555554050 /nfs/dbraw/zinc/55/40/50/555554050.db2.gz ISZSQXLOVZQBPL-QFIPXVFZSA-N 0 0 470.616 4.808 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937953 555554976 /nfs/dbraw/zinc/55/49/76/555554976.db2.gz BAMCINMURWDPJK-SFHVURJKSA-N 0 0 472.994 4.811 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 ZINC000019937906 555554986 /nfs/dbraw/zinc/55/49/86/555554986.db2.gz XIQBNKCRGWMUMH-UHFFFAOYSA-N 0 0 452.576 4.790 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938028 555555101 /nfs/dbraw/zinc/55/51/01/555555101.db2.gz SDJHDWCAPATYFM-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013659353 555555967 /nfs/dbraw/zinc/55/59/67/555555967.db2.gz PCGMEDOSPGFPJK-FKBYEOEOSA-N 0 0 452.869 4.539 40 0 JJABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013668801 555558094 /nfs/dbraw/zinc/55/80/94/555558094.db2.gz JOXJPDHLLDXKAQ-JKSUJKDBSA-N 0 0 467.031 4.678 40 0 JJABRN Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940788 555559203 /nfs/dbraw/zinc/55/92/03/555559203.db2.gz ITLPTHXKKIGZJS-AREMUKBSSA-N 0 0 468.605 4.784 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670116 555560471 /nfs/dbraw/zinc/56/04/71/555560471.db2.gz IDZPYWOFTHDLPW-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000013670108 555560620 /nfs/dbraw/zinc/56/06/20/555560620.db2.gz NKMWWQBAXCBUPC-UHFFFAOYSA-N 0 0 482.671 4.970 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000013670318 555560790 /nfs/dbraw/zinc/56/07/90/555560790.db2.gz JTRSYOBLBNNHHY-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)cc1 ZINC000019946284 555563013 /nfs/dbraw/zinc/56/30/13/555563013.db2.gz DAGOYGBFWZCSPY-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000013673115 555564645 /nfs/dbraw/zinc/56/46/45/555564645.db2.gz CINXJVMQVPUSRX-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000013675873 555566874 /nfs/dbraw/zinc/56/68/74/555566874.db2.gz PXTGKJFZZRRPSR-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CC1CCN(C(=O)c2ccc(N(Cc3c(Cl)cccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000013676753 555567507 /nfs/dbraw/zinc/56/75/07/555567507.db2.gz DAMZLEHVHQJQGO-UHFFFAOYSA-N 0 0 455.407 4.832 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000013677326 555568393 /nfs/dbraw/zinc/56/83/93/555568393.db2.gz ODLYCQFXMPITGQ-XMMPIXPASA-N 0 0 450.560 4.546 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677551 555568657 /nfs/dbraw/zinc/56/86/57/555568657.db2.gz LGUARIIPDWJJQC-QGZVFWFLSA-N 0 0 483.461 4.673 40 0 JJABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000013678143 555569146 /nfs/dbraw/zinc/56/91/46/555569146.db2.gz LASDYPYZVJUMFJ-AWEZNQCLSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)S(C)(=O)=O)c1 ZINC000013678387 555569437 /nfs/dbraw/zinc/56/94/37/555569437.db2.gz REIQGKQJIOGNDM-UHFFFAOYSA-N 0 0 491.657 4.540 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013679128 555570733 /nfs/dbraw/zinc/57/07/33/555570733.db2.gz AUZYRHZRLNRYDD-KRWDZBQOSA-N 0 0 483.461 4.673 40 0 JJABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000013679391 555571033 /nfs/dbraw/zinc/57/10/33/555571033.db2.gz HUAASFLLWJQGFO-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679628 555571569 /nfs/dbraw/zinc/57/15/69/555571569.db2.gz SXGFJHMMYUSRDR-KRWDZBQOSA-N 0 0 459.439 4.542 40 0 JJABRN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000013680160 555572262 /nfs/dbraw/zinc/57/22/62/555572262.db2.gz VKRQZXRCIBQDLG-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCc3ccc(OC)cc3)c3nc4ccccc4n32)cc1 ZINC000019962197 555573664 /nfs/dbraw/zinc/57/36/64/555573664.db2.gz OAVZVPWCABRVQN-RUZDIDTESA-N 0 0 468.557 4.767 40 0 JJABRN COC(=O)c1c(C)nc2ccn(-c3ccc(NC(C)=O)cc3)c(=O)c2c1-c1cccc(Cl)c1 ZINC000019973859 555576221 /nfs/dbraw/zinc/57/62/21/555576221.db2.gz IHDGFFQMYCDVGV-UHFFFAOYSA-N 0 0 461.905 4.760 40 0 JJABRN CN1C(=O)C(=C(Nc2ccc(F)cc2)SCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O ZINC000009974215 555577613 /nfs/dbraw/zinc/57/76/13/555577613.db2.gz DDHFAGKTAJUMHC-UHFFFAOYSA-N 0 0 468.337 4.740 40 0 JJABRN CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000020004434 555577666 /nfs/dbraw/zinc/57/76/66/555577666.db2.gz BIWDNRDCLQDMBU-DEOSSOPVSA-N 0 0 450.604 4.703 40 0 JJABRN O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000013684113 555578245 /nfs/dbraw/zinc/57/82/45/555578245.db2.gz BAUFOMXOBXOCHR-UHFFFAOYSA-N 0 0 490.357 4.945 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1C ZINC000009974538 555579342 /nfs/dbraw/zinc/57/93/42/555579342.db2.gz PGTXBJDFPCQVHV-AWEZNQCLSA-N 0 0 490.931 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)cc1C ZINC000009974549 555579369 /nfs/dbraw/zinc/57/93/69/555579369.db2.gz FICSDYYATIKUQA-HXUWFJFHSA-N 0 0 480.586 4.835 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)cc1C ZINC000009974548 555579380 /nfs/dbraw/zinc/57/93/80/555579380.db2.gz FICSDYYATIKUQA-FQEVSTJZSA-N 0 0 480.586 4.835 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000009974682 555579886 /nfs/dbraw/zinc/57/98/86/555579886.db2.gz GLMMVKKHIRHSLG-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1Cl ZINC000009974684 555579902 /nfs/dbraw/zinc/57/99/02/555579902.db2.gz ZMEQYEHMTUPZKU-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000009974680 555579910 /nfs/dbraw/zinc/57/99/10/555579910.db2.gz WGSCFKGEROLQRP-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000009974787 555580486 /nfs/dbraw/zinc/58/04/86/555580486.db2.gz OMUPLQUHXUVNHE-VWLOTQADSA-N 0 0 492.641 4.633 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000020006206 555580742 /nfs/dbraw/zinc/58/07/42/555580742.db2.gz CDAWFWNAYJMENR-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000020006175 555580766 /nfs/dbraw/zinc/58/07/66/555580766.db2.gz VATUXJAJKJCJBB-HXUWFJFHSA-N 0 0 479.385 4.530 40 0 JJABRN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013687653 555580789 /nfs/dbraw/zinc/58/07/89/555580789.db2.gz JLMGEIPEEVZGRO-UHFFFAOYSA-N 0 0 464.949 4.606 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007874 555582486 /nfs/dbraw/zinc/58/24/86/555582486.db2.gz FOHWZHRUTQDSFZ-LJQANCHMSA-N 0 0 467.349 4.661 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000020008840 555583633 /nfs/dbraw/zinc/58/36/33/555583633.db2.gz XPXUCNIEUSIXHH-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000020008806 555583688 /nfs/dbraw/zinc/58/36/88/555583688.db2.gz RONPRQUCXAPSPW-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000020009612 555585162 /nfs/dbraw/zinc/58/51/62/555585162.db2.gz YFAHHOLFIIUBGX-IBGZPJMESA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020009647 555585550 /nfs/dbraw/zinc/58/55/50/555585550.db2.gz CYGJUMATRDEJEI-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COC(=O)c1cc2cc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)ccc2s1 ZINC000020010127 555586210 /nfs/dbraw/zinc/58/62/10/555586210.db2.gz WMXPZJMJLPDHRQ-UHFFFAOYSA-N 0 0 494.594 4.518 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cc(F)ccc1F ZINC000020010837 555586676 /nfs/dbraw/zinc/58/66/76/555586676.db2.gz YPMNURYSZMKNAA-UHFFFAOYSA-N 0 0 495.345 4.557 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000020011035 555586966 /nfs/dbraw/zinc/58/69/66/555586966.db2.gz PNOHKTBRWKDZEX-INIZCTEOSA-N 0 0 497.430 4.789 40 0 JJABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020011070 555586998 /nfs/dbraw/zinc/58/69/98/555586998.db2.gz KFXHJAYQISMDCC-UHFFFAOYSA-N 0 0 476.467 4.946 40 0 JJABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000020011001 555587003 /nfs/dbraw/zinc/58/70/03/555587003.db2.gz XXXPEVJZXPDJHI-MRXNPFEDSA-N 0 0 497.430 4.789 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011774 555587876 /nfs/dbraw/zinc/58/78/76/555587876.db2.gz SQLKVZCEXNPCLI-QGZVFWFLSA-N 0 0 490.984 4.556 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2cccc(C)c2)cc1 ZINC000020012645 555588780 /nfs/dbraw/zinc/58/87/80/555588780.db2.gz GLAFONGBMPACMA-UHFFFAOYSA-N 0 0 462.493 4.550 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2Cl)cc1 ZINC000020012574 555588857 /nfs/dbraw/zinc/58/88/57/555588857.db2.gz YIQDWHYDXLSNLH-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013428 555589330 /nfs/dbraw/zinc/58/93/30/555589330.db2.gz WKBALZZWLBXSQH-UHFFFAOYSA-N 0 0 468.594 4.567 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(F)c(F)c2)c(C)c1 ZINC000020013378 555589349 /nfs/dbraw/zinc/58/93/49/555589349.db2.gz QECQZWXCZHGGIP-UHFFFAOYSA-N 0 0 472.557 4.762 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000020013746 555589742 /nfs/dbraw/zinc/58/97/42/555589742.db2.gz BSGJAYHHMVBTFP-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712310 555589796 /nfs/dbraw/zinc/58/97/96/555589796.db2.gz GKVOUDYCMKEXRP-KRWDZBQOSA-N 0 0 459.793 4.594 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)c(C)c1 ZINC000020013500 555589769 /nfs/dbraw/zinc/58/97/69/555589769.db2.gz XIVJTFCDZRUSEX-UHFFFAOYSA-N 0 0 468.541 4.991 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc2)cc1Cl ZINC000020014351 555590522 /nfs/dbraw/zinc/59/05/22/555590522.db2.gz WZXIQCMLOOVFSB-XMMPIXPASA-N 0 0 499.032 4.733 40 0 JJABRN CCN1C(=O)[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)[C@H]2C[C@]1(C)Oc1ccccc12 ZINC000010007591 555591419 /nfs/dbraw/zinc/59/14/19/555591419.db2.gz ZEPVKDYIVFBXQS-JDBUMTGOSA-N 0 0 454.570 4.976 40 0 JJABRN CCOC(=O)c1c(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013714702 555592224 /nfs/dbraw/zinc/59/22/24/555592224.db2.gz DKQVCXJFMMAMQG-KRWDZBQOSA-N 0 0 499.054 4.640 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715886 555593283 /nfs/dbraw/zinc/59/32/83/555593283.db2.gz JVNAFNJXJIXWOV-INIZCTEOSA-N 0 0 452.857 4.681 40 0 JJABRN CC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715942 555593619 /nfs/dbraw/zinc/59/36/19/555593619.db2.gz QZAHQWMYPIRLBH-INIZCTEOSA-N 0 0 453.750 4.969 40 0 JJABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000020017950 555593886 /nfs/dbraw/zinc/59/38/86/555593886.db2.gz YMJHFXCDDCIURG-HXUWFJFHSA-N 0 0 467.418 4.588 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716640 555593931 /nfs/dbraw/zinc/59/39/31/555593931.db2.gz DADXCHOWHGWLBN-SFHVURJKSA-N 0 0 473.820 4.903 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000020018507 555594478 /nfs/dbraw/zinc/59/44/78/555594478.db2.gz QKDFCQJORJHLKB-HNNXBMFYSA-N 0 0 485.433 4.670 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(SC)cc3)CC2)cc1Cl ZINC000020018551 555594826 /nfs/dbraw/zinc/59/48/26/555594826.db2.gz PHSSWXHCKPIZTL-MRXNPFEDSA-N 0 0 497.082 4.739 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020019102 555595410 /nfs/dbraw/zinc/59/54/10/555595410.db2.gz MSHLOWHNCBPZOX-ROUUACIJSA-N 0 0 472.994 4.636 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020020111 555596620 /nfs/dbraw/zinc/59/66/20/555596620.db2.gz ACVXSUNYCIKVSB-UHFFFAOYSA-N 0 0 482.455 4.971 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020020468 555597276 /nfs/dbraw/zinc/59/72/76/555597276.db2.gz KVIGRIYRWRCJKY-QGZVFWFLSA-N 0 0 488.993 4.796 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020021602 555598738 /nfs/dbraw/zinc/59/87/38/555598738.db2.gz VDRIELWKOSIOKB-DEOSSOPVSA-N 0 0 464.587 4.677 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(C)c2)cc1C ZINC000020022603 555600342 /nfs/dbraw/zinc/60/03/42/555600342.db2.gz CCSNLJCFZMSIOZ-UHFFFAOYSA-N 0 0 460.502 4.708 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NCc1ccc(F)cc1 ZINC000020023353 555601214 /nfs/dbraw/zinc/60/12/14/555601214.db2.gz RROQKXJMMHPUCZ-UHFFFAOYSA-N 0 0 483.348 4.629 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000020023800 555601753 /nfs/dbraw/zinc/60/17/53/555601753.db2.gz GXLJUZQUYXWENP-VQTJNVASSA-N 0 0 466.603 4.545 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000020023718 555601774 /nfs/dbraw/zinc/60/17/74/555601774.db2.gz NYEQQDIPMHZFRE-GOSISDBHSA-N 0 0 460.665 4.830 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000010041603 555606235 /nfs/dbraw/zinc/60/62/35/555606235.db2.gz VAQAZTZOFXZBTH-MRVPVSSYSA-N 0 0 486.602 4.715 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000020037379 555611476 /nfs/dbraw/zinc/61/14/76/555611476.db2.gz PSHXGUNAJIZONC-MBSDFSHPSA-N 0 0 456.995 4.709 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000020040230 555613435 /nfs/dbraw/zinc/61/34/35/555613435.db2.gz QLJHHUMJJVYDGL-UHFFFAOYSA-N 0 0 473.422 4.643 40 0 JJABRN CCSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000020041086 555613648 /nfs/dbraw/zinc/61/36/48/555613648.db2.gz VIKSEWPOGFGGKM-QFIPXVFZSA-N 0 0 468.600 4.702 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1OC ZINC000020041009 555613672 /nfs/dbraw/zinc/61/36/72/555613672.db2.gz BMVIVLYZNBBYDC-LMKMVOKYSA-N 0 0 466.559 4.562 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000020045845 555616596 /nfs/dbraw/zinc/61/65/96/555616596.db2.gz 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Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cc(C)ccc2C)cc1 ZINC000010110204 555619656 /nfs/dbraw/zinc/61/96/56/555619656.db2.gz TYCWLCNESAZNLV-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cccc(C)c2C)cc1 ZINC000010110252 555619956 /nfs/dbraw/zinc/61/99/56/555619956.db2.gz AKUMMGFHFVJQOE-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010110280 555619964 /nfs/dbraw/zinc/61/99/64/555619964.db2.gz MLWLLXIWWFOTLU-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020050890 555620051 /nfs/dbraw/zinc/62/00/51/555620051.db2.gz GKGWVEBBYWNGEZ-UHFFFAOYSA-N 0 0 483.977 4.629 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000010110714 555620797 /nfs/dbraw/zinc/62/07/97/555620797.db2.gz KEYQFCLXUAKLQR-UHFFFAOYSA-N 0 0 482.671 4.970 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010110992 555621485 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YZMMGETUYPLLQR-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000010112607 555626077 /nfs/dbraw/zinc/62/60/77/555626077.db2.gz WQIPLWHYZIEBLW-UHFFFAOYSA-N 0 0 466.603 4.946 40 0 JJABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013811335 555627907 /nfs/dbraw/zinc/62/79/07/555627907.db2.gz WMJXQRPCJIKEFN-HLLBOEOZSA-N 0 0 495.266 4.556 40 0 JJABRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(C)cc2)[C@H](c2ccccc2)[C@@H]2CSCN21 ZINC000013817066 555629725 /nfs/dbraw/zinc/62/97/25/555629725.db2.gz XIRKUVRWBIILHB-XVOBZGQLSA-N 0 0 470.594 4.822 40 0 JJABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000020083848 555631182 /nfs/dbraw/zinc/63/11/82/555631182.db2.gz YEMGXNWUBVWGRK-RUZDIDTESA-N 0 0 498.587 4.663 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000010128410 555633962 /nfs/dbraw/zinc/63/39/62/555633962.db2.gz PXTFGWUCRRSOPD-DEOSSOPVSA-N 0 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COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000020105777 555639301 /nfs/dbraw/zinc/63/93/01/555639301.db2.gz IKIHOWCNFFDYPA-DEOSSOPVSA-N 0 0 493.069 4.794 40 0 JJABRN O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020105947 555639542 /nfs/dbraw/zinc/63/95/42/555639542.db2.gz BWIQGBZNCZQCPU-JXMROGBWSA-N 0 0 496.032 4.612 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccc(OC)cc1 ZINC000020105953 555639597 /nfs/dbraw/zinc/63/95/97/555639597.db2.gz QLLJGOIAHLLKRE-HTAPYJJXSA-N 0 0 499.460 4.811 40 0 JJABRN COC(=O)c1cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)ccc1Cl ZINC000020105834 555639604 /nfs/dbraw/zinc/63/96/04/555639604.db2.gz HVOCMOLYDRCOBX-UHFFFAOYSA-N 0 0 479.341 4.833 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020107312 555640962 /nfs/dbraw/zinc/64/09/62/555640962.db2.gz YYATZTXDOANULI-UHFFFAOYSA-N 0 0 458.967 4.858 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000020108722 555643749 /nfs/dbraw/zinc/64/37/49/555643749.db2.gz FISWQDHUSDKHRE-VWLOTQADSA-N 0 0 466.603 4.857 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020109149 555644589 /nfs/dbraw/zinc/64/45/89/555644589.db2.gz FFKWHXLSQRRQCB-SFHVURJKSA-N 0 0 499.460 4.639 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020110164 555645983 /nfs/dbraw/zinc/64/59/83/555645983.db2.gz WLWAEKHGASYSGI-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020110719 555646874 /nfs/dbraw/zinc/64/68/74/555646874.db2.gz KSDTZLSMGIBXFN-UHFFFAOYSA-N 0 0 477.630 4.922 40 0 JJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020111254 555647757 /nfs/dbraw/zinc/64/77/57/555647757.db2.gz PGNXDKZKKONHNW-UHFFFAOYSA-N 0 0 485.993 4.921 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccccc2F)OC1=O ZINC000013928048 555647734 /nfs/dbraw/zinc/64/77/34/555647734.db2.gz GJLMVOVJHUPHGK-AUWJEWJLSA-N 0 0 455.077 4.704 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000020111484 555648216 /nfs/dbraw/zinc/64/82/16/555648216.db2.gz NGZINYLPZSYCCV-XMMPIXPASA-N 0 0 452.551 4.599 40 0 JJABRN c1ccc2sc(N3CCN([C@H](c4nnnn4C4CCCC4)c4ccc5ncccc5c4)CC3)nc2c1 ZINC000020121502 555655513 /nfs/dbraw/zinc/65/55/13/555655513.db2.gz HHHPYTHYAAQJDO-VWLOTQADSA-N 0 0 496.644 4.858 40 0 JJABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(I)c1 ZINC000020137943 555661336 /nfs/dbraw/zinc/66/13/36/555661336.db2.gz YOMDQLNYJJVTPJ-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(I)cc1 ZINC000020138379 555661778 /nfs/dbraw/zinc/66/17/78/555661778.db2.gz XNCWDCURYDVRDR-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN COc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1-c1ccc(CO)o1 ZINC000020138575 555661782 /nfs/dbraw/zinc/66/17/82/555661782.db2.gz HNCVEIDIFHDBCH-UHFFFAOYSA-N 0 0 483.689 4.958 40 0 JJABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000014006480 555668555 /nfs/dbraw/zinc/66/85/55/555668555.db2.gz VQGABBHWHHYYCT-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1Br ZINC000020151771 555668901 /nfs/dbraw/zinc/66/89/01/555668901.db2.gz SYKPGSPCJVFAJJ-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 ZINC000020152730 555670739 /nfs/dbraw/zinc/67/07/39/555670739.db2.gz HPILRJUITVXJFG-UHFFFAOYSA-N 0 0 454.548 4.753 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010294906 555674928 /nfs/dbraw/zinc/67/49/28/555674928.db2.gz ZOBCCLHHEBTZAR-UHFFFAOYSA-N 0 0 462.930 4.712 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010294725 555674971 /nfs/dbraw/zinc/67/49/71/555674971.db2.gz NKZMJONEFGKRNK-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010295656 555675205 /nfs/dbraw/zinc/67/52/05/555675205.db2.gz QXTSGTFTMYLXIA-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN O=c1[nH]nc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccc(Br)cc1 ZINC000010298211 555676080 /nfs/dbraw/zinc/67/60/80/555676080.db2.gz GHDCUDOIQBVKGX-INIZCTEOSA-N 0 0 491.136 4.600 40 0 JJABRN COc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000010299783 555676629 /nfs/dbraw/zinc/67/66/29/555676629.db2.gz UTSSWVVJTSILIC-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010299791 555676659 /nfs/dbraw/zinc/67/66/59/555676659.db2.gz LBZPILKCRDQSHZ-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1cccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010300068 555676960 /nfs/dbraw/zinc/67/69/60/555676960.db2.gz HUJIGCOZBGGDGE-UHFFFAOYSA-N 0 0 486.615 4.568 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1SC)c1cccc(C)c1 ZINC000010301177 555678048 /nfs/dbraw/zinc/67/80/48/555678048.db2.gz PIGDHJPKYZVOMX-UHFFFAOYSA-N 0 0 470.616 4.868 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OCC)Cc2ccccc2)cc1C ZINC000010301609 555678368 /nfs/dbraw/zinc/67/83/68/555678368.db2.gz XDXDZIPWWKUGGR-UHFFFAOYSA-N 0 0 482.602 4.622 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc2C)cc1 ZINC000010314382 555679876 /nfs/dbraw/zinc/67/98/76/555679876.db2.gz FVLZRGFWMNBNTQ-UHFFFAOYSA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314555 555680135 /nfs/dbraw/zinc/68/01/35/555680135.db2.gz NKSYKJXZHLIOHT-IBGZPJMESA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314491 555680231 /nfs/dbraw/zinc/68/02/31/555680231.db2.gz XIZILQOWWWVZDM-QGZVFWFLSA-N 0 0 465.575 4.576 40 0 JJABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010314683 555680553 /nfs/dbraw/zinc/68/05/53/555680553.db2.gz FHFWFCBFPLTWSC-UHFFFAOYSA-N 0 0 499.592 4.978 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(I)cc1 ZINC000010314675 555680572 /nfs/dbraw/zinc/68/05/72/555680572.db2.gz DOCOHQXGUANMDN-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010314963 555681236 /nfs/dbraw/zinc/68/12/36/555681236.db2.gz BKHQXTVVBIGXTD-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3cccc(C)c3)c2)cc1 ZINC000010315043 555681699 /nfs/dbraw/zinc/68/16/99/555681699.db2.gz PYWFAPOJEMQZBG-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000010323872 555683450 /nfs/dbraw/zinc/68/34/50/555683450.db2.gz UYMHOXJVNIHFPJ-UHFFFAOYSA-N 0 0 484.549 4.666 40 0 JJABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3F)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325545 555684352 /nfs/dbraw/zinc/68/43/52/555684352.db2.gz VETGUTGKOXLYGY-AWEZNQCLSA-N 0 0 489.366 4.980 40 0 JJABRN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014091343 555684976 /nfs/dbraw/zinc/68/49/76/555684976.db2.gz VPGOTMKSADRBHA-UHFFFAOYSA-N 0 0 455.996 4.914 40 0 JJABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014091716 555685033 /nfs/dbraw/zinc/68/50/33/555685033.db2.gz CGCWBDWNKCXWHB-UHFFFAOYSA-N 0 0 451.379 4.935 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1Cl ZINC000010331183 555687705 /nfs/dbraw/zinc/68/77/05/555687705.db2.gz SGTUJUJTDUBILT-SNVBAGLBSA-N 0 0 485.311 4.814 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010331381 555688016 /nfs/dbraw/zinc/68/80/16/555688016.db2.gz KBDDVBCRXOPUCL-INIZCTEOSA-N 0 0 474.966 4.934 40 0 JJABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000010332987 555688845 /nfs/dbraw/zinc/68/88/45/555688845.db2.gz QJKLLXMMATUYEW-UHFFFAOYSA-N 0 0 463.386 4.890 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)c1 ZINC000010336352 555691281 /nfs/dbraw/zinc/69/12/81/555691281.db2.gz KMRGBYRDMCQQGF-GOSISDBHSA-N 0 0 485.005 4.981 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)cc2)S(C)(=O)=O)c1 ZINC000010337291 555691730 /nfs/dbraw/zinc/69/17/30/555691730.db2.gz BAQKLQRHMDLZTG-UHFFFAOYSA-N 0 0 493.629 4.599 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000010338846 555693197 /nfs/dbraw/zinc/69/31/97/555693197.db2.gz SCCXUTFCORSEKX-UHFFFAOYSA-N 0 0 482.671 4.933 40 0 JJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)cc1 ZINC000014122863 555695290 /nfs/dbraw/zinc/69/52/90/555695290.db2.gz AHYNXPNEBZITJB-UHFFFAOYSA-N 0 0 451.577 4.557 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010357142 555695654 /nfs/dbraw/zinc/69/56/54/555695654.db2.gz YYDDOJVPIIVBED-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010365347 555697606 /nfs/dbraw/zinc/69/76/06/555697606.db2.gz JOARBCICKLBPOQ-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN COc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000010367587 555698549 /nfs/dbraw/zinc/69/85/49/555698549.db2.gz DIXPBHGVDXBIHW-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN O=C(Nc1ccccc1Sc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010373407 555700594 /nfs/dbraw/zinc/70/05/94/555700594.db2.gz YTHMWTJSYQANNB-UHFFFAOYSA-N 0 0 452.601 4.877 40 0 JJABRN CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014135500 555703327 /nfs/dbraw/zinc/70/33/27/555703327.db2.gz LMFZEJOPUDRLIZ-UHFFFAOYSA-N 0 0 461.008 4.892 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc(Br)c1)S(C)(=O)=O ZINC000010433918 555708544 /nfs/dbraw/zinc/70/85/44/555708544.db2.gz YEIYRWNOGUCALY-UHFFFAOYSA-N 0 0 459.793 4.596 40 0 JJABRN COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(I)cc3)n2)cc1 ZINC000014152986 555708744 /nfs/dbraw/zinc/70/87/44/555708744.db2.gz JRXGWGCOVIMIDB-UHFFFAOYSA-N 0 0 491.354 4.796 40 0 JJABRN Cc1ccc(N(CCCC(=O)NCCSCc2c(F)cccc2Cl)S(C)(=O)=O)cc1C ZINC000010434108 555708900 /nfs/dbraw/zinc/70/89/00/555708900.db2.gz XFQOWLNPZZSYEE-UHFFFAOYSA-N 0 0 487.062 4.692 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010441173 555711112 /nfs/dbraw/zinc/71/11/12/555711112.db2.gz PUZUXCMQNUHLHV-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000014154378 555711546 /nfs/dbraw/zinc/71/15/46/555711546.db2.gz CDSMOSVMELSOEN-UHFFFAOYSA-N 0 0 479.602 4.805 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010442539 555711617 /nfs/dbraw/zinc/71/16/17/555711617.db2.gz CDFQYYVFYMDXDM-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010442579 555711634 /nfs/dbraw/zinc/71/16/34/555711634.db2.gz TZAOGPBECIXZSR-UHFFFAOYSA-N 0 0 494.613 4.877 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010442564 555711702 /nfs/dbraw/zinc/71/17/02/555711702.db2.gz LUDKUSKEUCFFKK-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1C ZINC000010443004 555711868 /nfs/dbraw/zinc/71/18/68/555711868.db2.gz BZBJAXNTIKSWAP-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccc(F)cc2)cc1 ZINC000014154625 555711899 /nfs/dbraw/zinc/71/18/99/555711899.db2.gz ARKWPHJISHGOMS-UHFFFAOYSA-N 0 0 456.539 4.792 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1C ZINC000014154784 555712528 /nfs/dbraw/zinc/71/25/28/555712528.db2.gz PDKLTJHOSZRYQP-UHFFFAOYSA-N 0 0 466.559 4.760 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000010445173 555712714 /nfs/dbraw/zinc/71/27/14/555712714.db2.gz CKKMSXKXTFNPKU-UHFFFAOYSA-N 0 0 493.796 4.537 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000010445251 555712741 /nfs/dbraw/zinc/71/27/41/555712741.db2.gz BTMIEDZTNQGYFR-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000014155205 555713015 /nfs/dbraw/zinc/71/30/15/555713015.db2.gz PMZGAVNETXYAGM-UHFFFAOYSA-N 0 0 492.384 4.786 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446571 555713289 /nfs/dbraw/zinc/71/32/89/555713289.db2.gz RLZWHTPFEIYMEV-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2)ccc1C ZINC000014155341 555713320 /nfs/dbraw/zinc/71/33/20/555713320.db2.gz PFSJWGLTQKBLFH-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C)cc2)cc1 ZINC000010447921 555714180 /nfs/dbraw/zinc/71/41/80/555714180.db2.gz TWGJJWPUIUDXKM-UHFFFAOYSA-N 0 0 454.617 4.537 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010448028 555714206 /nfs/dbraw/zinc/71/42/06/555714206.db2.gz JFTMMBQCCDHPEH-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2C)cc1C ZINC000014155805 555714683 /nfs/dbraw/zinc/71/46/83/555714683.db2.gz PRHISLUSCGKEAA-UHFFFAOYSA-N 0 0 454.617 4.935 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cccc(C(F)(F)F)c2)cc1 ZINC000010449106 555715029 /nfs/dbraw/zinc/71/50/29/555715029.db2.gz VHULQVJNSHOPSD-UHFFFAOYSA-N 0 0 474.504 4.798 40 0 JJABRN CCOc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010449563 555715650 /nfs/dbraw/zinc/71/56/50/555715650.db2.gz LBKRLXYJJZCQHQ-UHFFFAOYSA-N 0 0 485.005 4.913 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000010449741 555715871 /nfs/dbraw/zinc/71/58/71/555715871.db2.gz CPWQVEPSZWSFDT-HXUWFJFHSA-N 0 0 464.587 4.567 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000010449701 555715910 /nfs/dbraw/zinc/71/59/10/555715910.db2.gz ILLYYPXEFWFWOQ-KRWDZBQOSA-N 0 0 474.504 4.879 40 0 JJABRN COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010449710 555715914 /nfs/dbraw/zinc/71/59/14/555715914.db2.gz UNTJVEPYPJAHHG-QGZVFWFLSA-N 0 0 470.978 4.522 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010449903 555716401 /nfs/dbraw/zinc/71/64/01/555716401.db2.gz AHEOJBLUDCVKGA-INIZCTEOSA-N 0 0 458.942 4.652 40 0 JJABRN Cc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010449866 555716404 /nfs/dbraw/zinc/71/64/04/555716404.db2.gz NUQWKJAFNARVCS-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000010541271 555724601 /nfs/dbraw/zinc/72/46/01/555724601.db2.gz ZNEUFMPRQYGORA-INIZCTEOSA-N 0 0 455.407 4.756 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020234491 555726201 /nfs/dbraw/zinc/72/62/01/555726201.db2.gz HUFWGVJRHDSRQF-UHFFFAOYSA-N 0 0 475.035 4.752 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020234370 555726210 /nfs/dbraw/zinc/72/62/10/555726210.db2.gz YJZZYMSUGXQSAL-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020235602 555728369 /nfs/dbraw/zinc/72/83/69/555728369.db2.gz MVPOAJLJJVZBKK-UHFFFAOYSA-N 0 0 493.412 4.822 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000020236262 555729430 /nfs/dbraw/zinc/72/94/30/555729430.db2.gz SJEASTNUCROAES-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691648 555732892 /nfs/dbraw/zinc/73/28/92/555732892.db2.gz FSJNFBTZTCVLPP-UHFFFAOYSA-N 0 0 471.406 4.573 40 0 JJABRN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010691919 555733192 /nfs/dbraw/zinc/73/31/92/555733192.db2.gz SDQSLFLTSSSTSU-UHFFFAOYSA-N 0 0 473.447 4.896 40 0 JJABRN O=C(Nc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692342 555733203 /nfs/dbraw/zinc/73/32/03/555733203.db2.gz VIHHWFAOZOVQID-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692484 555733455 /nfs/dbraw/zinc/73/34/55/555733455.db2.gz OTGVYYKTGJRESW-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000010693087 555733716 /nfs/dbraw/zinc/73/37/16/555733716.db2.gz UYQCWJFEIRYAHU-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693521 555733983 /nfs/dbraw/zinc/73/39/83/555733983.db2.gz ZYACGPWEAHLGIH-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020244278 555740398 /nfs/dbraw/zinc/74/03/98/555740398.db2.gz CFGBPWQAXZTNPH-HHHXNRCGSA-N 0 0 473.598 4.853 40 0 JJABRN CCC[C@H](NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2CCC(C)C)c1ccccc1 ZINC000011023295 555753929 /nfs/dbraw/zinc/75/39/29/555753929.db2.gz BKCMLHKUIUNCLJ-NRFANRHFSA-N 0 0 477.634 4.840 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc5ccccc54)c3C)nn12 ZINC000014269292 555758572 /nfs/dbraw/zinc/75/85/72/555758572.db2.gz FABGFHKKZXMBJC-UHFFFAOYSA-N 0 0 458.572 4.750 40 0 JJABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)COc1ccccc1C ZINC000014269339 555758788 /nfs/dbraw/zinc/75/87/88/555758788.db2.gz IMZGXKQBGLUEBU-UHFFFAOYSA-N 0 0 458.539 4.969 40 0 JJABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1 ZINC000014271042 555764690 /nfs/dbraw/zinc/76/46/90/555764690.db2.gz LZPJOVRAZOAFQU-UHFFFAOYSA-N 0 0 472.323 4.592 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 ZINC000014271269 555765518 /nfs/dbraw/zinc/76/55/18/555765518.db2.gz ZANFKRNBBRPOQU-UHFFFAOYSA-N 0 0 467.547 4.702 40 0 JJABRN Cc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc2-c2ccccc2)cc1 ZINC000011196595 555766033 /nfs/dbraw/zinc/76/60/33/555766033.db2.gz LWXBYMLISVYIDA-UHFFFAOYSA-N 0 0 469.614 4.684 40 0 JJABRN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000014271601 555767011 /nfs/dbraw/zinc/76/70/11/555767011.db2.gz QVEXURGIJOTTOC-OAHLLOKOSA-N 0 0 463.628 4.617 40 0 JJABRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000014271826 555767897 /nfs/dbraw/zinc/76/78/97/555767897.db2.gz KFJQXLXONHFYAL-IZZDOVSWSA-N 0 0 457.043 4.742 40 0 JJABRN O=C(Nc1ccc(I)cn1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000014272414 555769984 /nfs/dbraw/zinc/76/99/84/555769984.db2.gz QXRKGVUCPWIPTO-UHFFFAOYSA-N 0 0 469.076 4.961 40 0 JJABRN COc1ccc(OC)c(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c1 ZINC000014272870 555771423 /nfs/dbraw/zinc/77/14/23/555771423.db2.gz UQOSFBIQQOBZMV-QPJJXVBHSA-N 0 0 471.145 4.889 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000020323734 555772043 /nfs/dbraw/zinc/77/20/43/555772043.db2.gz HBNHFBYXWDHFLS-LJQANCHMSA-N 0 0 468.575 4.909 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000014273386 555773076 /nfs/dbraw/zinc/77/30/76/555773076.db2.gz FNFSTIIFDYEENQ-INIZCTEOSA-N 0 0 464.393 4.704 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000014273479 555773319 /nfs/dbraw/zinc/77/33/19/555773319.db2.gz NPIRFHLNDKSHEY-UHFFFAOYSA-N 0 0 457.574 4.967 40 0 JJABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nn12 ZINC000014273812 555774810 /nfs/dbraw/zinc/77/48/10/555774810.db2.gz WPPCITKTPKOFRQ-UHFFFAOYSA-N 0 0 491.429 4.527 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)c3)nn12 ZINC000014273862 555774838 /nfs/dbraw/zinc/77/48/38/555774838.db2.gz XKRFPDILBVKLQL-UHFFFAOYSA-N 0 0 487.010 4.512 40 0 JJABRN Cc1nc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1I ZINC000014275609 555781123 /nfs/dbraw/zinc/78/11/23/555781123.db2.gz VUBICRICCZQSMY-XVNBXDOJSA-N 0 0 492.169 4.828 40 0 JJABRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000014275901 555782374 /nfs/dbraw/zinc/78/23/74/555782374.db2.gz JUQQYRIKILFNNX-UHFFFAOYSA-N 0 0 495.564 4.780 40 0 JJABRN Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(OCC(C)C)c4)c(C)c3)nn12 ZINC000014276371 555783400 /nfs/dbraw/zinc/78/34/00/555783400.db2.gz KJKQGLLMEQEKBC-UHFFFAOYSA-N 0 0 480.619 4.631 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014277066 555785086 /nfs/dbraw/zinc/78/50/86/555785086.db2.gz QDNRTBPVSPDMIR-UHFFFAOYSA-N 0 0 495.048 4.798 40 0 JJABRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3n2)cc1 ZINC000014278481 555788829 /nfs/dbraw/zinc/78/88/29/555788829.db2.gz ICRFNEVGGBUASM-UHFFFAOYSA-N 0 0 474.414 4.945 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c1 ZINC000020411614 555789290 /nfs/dbraw/zinc/78/92/90/555789290.db2.gz QMRHTNNNTYLLTN-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1 ZINC000020411739 555789315 /nfs/dbraw/zinc/78/93/15/555789315.db2.gz NMVTZKCHXBGJJW-UHFFFAOYSA-N 0 0 466.300 4.718 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 ZINC000020411889 555789506 /nfs/dbraw/zinc/78/95/06/555789506.db2.gz LNLIOQTYSAWXFY-UHFFFAOYSA-N 0 0 457.577 4.777 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl ZINC000020411879 555789581 /nfs/dbraw/zinc/78/95/81/555789581.db2.gz VABQODJLPXMAFL-UHFFFAOYSA-N 0 0 463.968 4.650 40 0 JJABRN COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)sc2c1 ZINC000020412433 555790161 /nfs/dbraw/zinc/79/01/61/555790161.db2.gz OESWCGSSOLJLTP-UHFFFAOYSA-N 0 0 470.359 4.525 40 0 JJABRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc(Br)c2)CC1 ZINC000020412499 555790356 /nfs/dbraw/zinc/79/03/56/555790356.db2.gz BMURHFDLHSGBJN-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)CC1 ZINC000014279337 555791157 /nfs/dbraw/zinc/79/11/57/555791157.db2.gz FUDFGSLXNUTTPV-UHFFFAOYSA-N 0 0 481.552 4.771 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)c1C ZINC000014290996 555791606 /nfs/dbraw/zinc/79/16/06/555791606.db2.gz XBMIHWRHBUFTLR-UHFFFAOYSA-N 0 0 484.021 4.998 40 0 JJABRN O=C(/C=C/c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 ZINC000020528422 555792338 /nfs/dbraw/zinc/79/23/38/555792338.db2.gz HPNSYMOWDBSQHH-AWNIVKPZSA-N 0 0 480.362 4.656 40 0 JJABRN COc1cccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000014291215 555792554 /nfs/dbraw/zinc/79/25/54/555792554.db2.gz VZCKCVSPRXNABQ-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000020528642 555792950 /nfs/dbraw/zinc/79/29/50/555792950.db2.gz KLKWXQCCDMMTRX-UHFFFAOYSA-N 0 0 465.494 4.879 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291825 555793454 /nfs/dbraw/zinc/79/34/54/555793454.db2.gz MRQXJIBLGSDBPY-UHFFFAOYSA-N 0 0 466.559 4.914 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Br)cc3)CC2)c(C)c1 ZINC000014391002 555801655 /nfs/dbraw/zinc/80/16/55/555801655.db2.gz WQLYIKDLOLCSEM-GOSISDBHSA-N 0 0 493.467 4.652 40 0 JJABRN Cc1ccc(C)c(N(CCCC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000014396198 555801867 /nfs/dbraw/zinc/80/18/67/555801867.db2.gz BNMOMKNPVDGSCC-UHFFFAOYSA-N 0 0 469.072 4.553 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Br)c1cc(Cl)ccc1Cl ZINC000014397099 555802848 /nfs/dbraw/zinc/80/28/48/555802848.db2.gz SACGZYOIGNCKBM-UHFFFAOYSA-N 0 0 480.211 4.941 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 ZINC000014397592 555803252 /nfs/dbraw/zinc/80/32/52/555803252.db2.gz BNXIUSYSZKZRSQ-UHFFFAOYSA-N 0 0 468.575 4.992 40 0 JJABRN Cc1cccc(CSCCNC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000014397808 555803556 /nfs/dbraw/zinc/80/35/56/555803556.db2.gz PSNHJQVIEMJPPX-UHFFFAOYSA-N 0 0 489.490 4.898 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000014397791 555803567 /nfs/dbraw/zinc/80/35/67/555803567.db2.gz IVBJWWKWQRKJGV-UHFFFAOYSA-N 0 0 487.600 4.919 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000014411928 555810944 /nfs/dbraw/zinc/81/09/44/555810944.db2.gz CBUAKUINAXMDOE-UHFFFAOYSA-N 0 0 486.977 4.654 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(C)cc1 ZINC000014412191 555811213 /nfs/dbraw/zinc/81/12/13/555811213.db2.gz LWMBOQNNPNOEMD-UHFFFAOYSA-N 0 0 470.616 4.868 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014463008 555814526 /nfs/dbraw/zinc/81/45/26/555814526.db2.gz SLSCWALCIOFCFL-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000014494955 555815173 /nfs/dbraw/zinc/81/51/73/555815173.db2.gz DYISNZPXXLJTBJ-UHFFFAOYSA-N 0 0 461.798 4.995 40 0 JJABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccccc1NCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000020568361 555821804 /nfs/dbraw/zinc/82/18/04/555821804.db2.gz SMANZVMDZRGEGA-WHLCRQNOSA-N 0 0 459.590 4.826 40 0 JJABRN CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)sc2c1CCCC2 ZINC000020571127 555823227 /nfs/dbraw/zinc/82/32/27/555823227.db2.gz WIXIWOMQIXDDJV-UHFFFAOYSA-N 0 0 484.599 4.857 40 0 JJABRN Cc1ccc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc2)cc1 ZINC000014577117 555835361 /nfs/dbraw/zinc/83/53/61/555835361.db2.gz CKNKTXJCVQTBLB-XMMPIXPASA-N 0 0 469.006 4.952 40 0 JJABRN CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(N)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000014608073 555836521 /nfs/dbraw/zinc/83/65/21/555836521.db2.gz ORUKMFSYLDUAII-GOSISDBHSA-N 0 0 471.011 4.992 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000021025743 555849421 /nfs/dbraw/zinc/84/94/21/555849421.db2.gz YGRVVSDQWYMLBQ-UHFFFAOYSA-N 0 0 466.603 4.650 40 0 JJABRN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)cc2)c1 ZINC000021579735 555852218 /nfs/dbraw/zinc/85/22/18/555852218.db2.gz CDKATLPIKMZRHG-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN CC(=O)O[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000022047699 555865896 /nfs/dbraw/zinc/86/58/96/555865896.db2.gz CPWPSDGLXXKBKZ-WXIAYYLYSA-N 0 0 462.542 4.662 40 0 JJABRN C[C@H](c1nc2ccccc2c(OC2CCCCC2)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022053077 555866604 /nfs/dbraw/zinc/86/66/04/555866604.db2.gz UROLHIALSSGFQE-LJQANCHMSA-N 0 0 498.624 4.548 40 0 JJABRN CN(c1ccccc1O)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Br ZINC000015109688 555878689 /nfs/dbraw/zinc/87/86/89/555878689.db2.gz DXUHXTPUFUDEKK-UHFFFAOYSA-N 0 0 495.782 4.886 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000012017485 555885237 /nfs/dbraw/zinc/88/52/37/555885237.db2.gz OVBRODNAMZDVAL-HJOGWXRNSA-N 0 0 478.932 4.717 40 0 JJABRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000015223081 555885800 /nfs/dbraw/zinc/88/58/00/555885800.db2.gz RFAGUBBDCZJPQM-SFHVURJKSA-N 0 0 466.319 4.571 40 0 JJABRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(I)cc1 ZINC000015223080 555885849 /nfs/dbraw/zinc/88/58/49/555885849.db2.gz RFAGUBBDCZJPQM-GOSISDBHSA-N 0 0 466.319 4.571 40 0 JJABRN O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000015225688 555886643 /nfs/dbraw/zinc/88/66/43/555886643.db2.gz SAOBJNKTLWLSGJ-UHFFFAOYSA-N 0 0 498.819 4.549 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000022229926 555888877 /nfs/dbraw/zinc/88/88/77/555888877.db2.gz KCFUQAUZOQDLEQ-QHCPKHFHSA-N 0 0 466.559 4.588 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000022229923 555888887 /nfs/dbraw/zinc/88/88/87/555888887.db2.gz KCFUQAUZOQDLEQ-HSZRJFAPSA-N 0 0 466.559 4.588 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000022230214 555889187 /nfs/dbraw/zinc/88/91/87/555889187.db2.gz XNZMGFLAVJRCRI-JOCHJYFZSA-N 0 0 466.559 4.588 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022231402 555889969 /nfs/dbraw/zinc/88/99/69/555889969.db2.gz FXEHLQFSKPVSDO-GOSISDBHSA-N 0 0 472.994 4.562 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022231334 555890035 /nfs/dbraw/zinc/89/00/35/555890035.db2.gz HVWRNYFYFGQZPU-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231683 555890569 /nfs/dbraw/zinc/89/05/69/555890569.db2.gz MWWJSFCOYONHPI-UHFFFAOYSA-N 0 0 492.519 4.998 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC2CCCCCC2)cc1 ZINC000022232020 555891127 /nfs/dbraw/zinc/89/11/27/555891127.db2.gz RBNDPEZRXQRGAC-UHFFFAOYSA-N 0 0 465.015 4.524 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000015269916 555891412 /nfs/dbraw/zinc/89/14/12/555891412.db2.gz FTVZFSMJTDUZME-UHFFFAOYSA-N 0 0 468.575 4.557 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000022232141 555891441 /nfs/dbraw/zinc/89/14/41/555891441.db2.gz LKLAONAHMNJQPK-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000022232958 555892738 /nfs/dbraw/zinc/89/27/38/555892738.db2.gz LEAPXISMXPFXHV-UHFFFAOYSA-N 0 0 477.026 4.692 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1C ZINC000022233046 555892762 /nfs/dbraw/zinc/89/27/62/555892762.db2.gz NVZOWCBZWFLFEW-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000022233077 555893030 /nfs/dbraw/zinc/89/30/30/555893030.db2.gz WBDQMVRVDIXRGL-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000022248040 555898358 /nfs/dbraw/zinc/89/83/58/555898358.db2.gz SUDNNVPNODJOTH-MBSDFSHPSA-N 0 0 487.021 4.506 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000022248055 555898438 /nfs/dbraw/zinc/89/84/38/555898438.db2.gz SUDNNVPNODJOTH-WZONZLPQSA-N 0 0 487.021 4.506 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000022248380 555898975 /nfs/dbraw/zinc/89/89/75/555898975.db2.gz FDSQREGVCPXIEA-QFIPXVFZSA-N 0 0 490.984 4.715 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000022248662 555898999 /nfs/dbraw/zinc/89/89/99/555898999.db2.gz MMNSQFCSZQZJKM-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN COc1cc(C(=O)Nc2cccc(Cl)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253417 555901815 /nfs/dbraw/zinc/90/18/15/555901815.db2.gz ALJKWMLYGDHGQS-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN COc1cc(C(=O)NC2CCCCCCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253736 555902034 /nfs/dbraw/zinc/90/20/34/555902034.db2.gz MGVXPLSAKJSDIP-UHFFFAOYSA-N 0 0 474.623 4.513 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000022256516 555904325 /nfs/dbraw/zinc/90/43/25/555904325.db2.gz XTYLEIBOOJPVAN-UHFFFAOYSA-N 0 0 461.971 4.922 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCC1 ZINC000022256610 555904680 /nfs/dbraw/zinc/90/46/80/555904680.db2.gz NGDQJCFIOPTROP-UHFFFAOYSA-N 0 0 461.971 4.841 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)cc1C ZINC000022268660 555907847 /nfs/dbraw/zinc/90/78/47/555907847.db2.gz WUGDWMGKRXGNQW-XMMPIXPASA-N 0 0 472.651 4.512 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cc1Cl ZINC000022269337 555908129 /nfs/dbraw/zinc/90/81/29/555908129.db2.gz ZPEIJEDFHAOMPO-HSZRJFAPSA-N 0 0 491.053 4.635 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000015438616 555908845 /nfs/dbraw/zinc/90/88/45/555908845.db2.gz NSOIHLUQLDXEGI-UHFFFAOYSA-N 0 0 460.559 4.580 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000015439103 555909250 /nfs/dbraw/zinc/90/92/50/555909250.db2.gz BAJMCUWLSXJOMS-OAHLLOKOSA-N 0 0 460.939 4.555 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000022271435 555909251 /nfs/dbraw/zinc/90/92/51/555909251.db2.gz WMMLEMPVLDDTCU-QHCPKHFHSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000022271458 555909256 /nfs/dbraw/zinc/90/92/56/555909256.db2.gz WUAXBLAODPIQST-HSZRJFAPSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000022271473 555909287 /nfs/dbraw/zinc/90/92/87/555909287.db2.gz GTBQJHYESXVZRJ-QFIPXVFZSA-N 0 0 493.412 4.920 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000022271720 555910054 /nfs/dbraw/zinc/91/00/54/555910054.db2.gz PCPCZWMYFBQMHF-AREMUKBSSA-N 0 0 480.630 4.956 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1 ZINC000022274213 555910976 /nfs/dbraw/zinc/91/09/76/555910976.db2.gz OBKDKCDYJDGTNV-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000022274265 555911019 /nfs/dbraw/zinc/91/10/19/555911019.db2.gz XUQLFKLFBIBOCQ-UHFFFAOYSA-N 0 0 479.783 4.937 40 0 JJABRN CCc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000022274680 555911630 /nfs/dbraw/zinc/91/16/30/555911630.db2.gz AARSBJHQMSYLOR-UHFFFAOYSA-N 0 0 458.967 4.745 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)cc1 ZINC000015511456 555912101 /nfs/dbraw/zinc/91/21/01/555912101.db2.gz PUZMAHVHHLOGBA-UHFFFAOYSA-N 0 0 450.438 4.947 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276009 555913089 /nfs/dbraw/zinc/91/30/89/555913089.db2.gz PTCRFYWTAUMGQT-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN COc1ccc(OC)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022275814 555913200 /nfs/dbraw/zinc/91/32/00/555913200.db2.gz PMHRPDOQUFJTBP-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022281683 555917097 /nfs/dbraw/zinc/91/70/97/555917097.db2.gz VHVOXQOOLWCGGU-DEOSSOPVSA-N 0 0 466.603 4.775 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281662 555917128 /nfs/dbraw/zinc/91/71/28/555917128.db2.gz LXWOESAXBGEMAF-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022304172 555919164 /nfs/dbraw/zinc/91/91/64/555919164.db2.gz AYXIPSYMEONGCT-HSZRJFAPSA-N 0 0 454.979 4.729 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022306934 555919375 /nfs/dbraw/zinc/91/93/75/555919375.db2.gz BRZQIFYXLPVJMD-RUZDIDTESA-N 0 0 482.602 4.557 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022312444 555920405 /nfs/dbraw/zinc/92/04/05/555920405.db2.gz QLDRXGDUNLWGSU-QHCPKHFHSA-N 0 0 485.005 4.738 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000022324882 555921492 /nfs/dbraw/zinc/92/14/92/555921492.db2.gz YNPXAMNPJCRRHZ-XMMPIXPASA-N 0 0 496.629 4.783 40 0 JJABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022321452 555921578 /nfs/dbraw/zinc/92/15/78/555921578.db2.gz FBYQWEJNOFTDKW-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 ZINC000022345000 555923502 /nfs/dbraw/zinc/92/35/02/555923502.db2.gz FBAOYEVWRHACCE-AREMUKBSSA-N 0 0 496.629 4.865 40 0 JJABRN CCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022352225 555924080 /nfs/dbraw/zinc/92/40/80/555924080.db2.gz AZWIWCVVHQJPEQ-UHFFFAOYSA-N 0 0 454.567 4.835 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022365447 555926268 /nfs/dbraw/zinc/92/62/68/555926268.db2.gz ZUIVXVJYWYXOHQ-CYBMUJFWSA-N 0 0 463.814 4.907 40 0 JJABRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cc(Cl)c(Cl)cc1Cl ZINC000022365435 555926284 /nfs/dbraw/zinc/92/62/84/555926284.db2.gz AWRPXZGLAITQCR-KRWDZBQOSA-N 0 0 461.798 4.607 40 0 JJABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000022522709 555930946 /nfs/dbraw/zinc/93/09/46/555930946.db2.gz DUKSSKBNXVZZNA-UHFFFAOYSA-N 0 0 459.365 4.740 40 0 JJABRN COc1ccc(Br)cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000022531375 555932079 /nfs/dbraw/zinc/93/20/79/555932079.db2.gz BVSWYMACYVCNDS-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN COc1cc(NC(=O)c2ccccc2Br)ccc1N1C(=O)c2ccccc2C1=O ZINC000022531405 555932082 /nfs/dbraw/zinc/93/20/82/555932082.db2.gz NMYBQIQEDSXLSC-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015674236 555933245 /nfs/dbraw/zinc/93/32/45/555933245.db2.gz YTJSOVFXLDGFJP-PBHICJAKSA-N 0 0 489.372 4.842 40 0 biogenic,in-vitro JJABRN CCOc1cc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc(OCC)c1OCC ZINC000022536365 555933674 /nfs/dbraw/zinc/93/36/74/555933674.db2.gz OSLJXMLJGFZNKL-UHFFFAOYSA-N 0 0 454.548 4.868 40 0 JJABRN COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675778 555934652 /nfs/dbraw/zinc/93/46/52/555934652.db2.gz PKYWRRSQZISDKE-IBGZPJMESA-N 0 0 484.438 4.819 40 0 biogenic,in-vitro JJABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 ZINC000022564034 555935371 /nfs/dbraw/zinc/93/53/71/555935371.db2.gz XFIHJBCZTFLKBD-UHFFFAOYSA-N 0 0 457.397 4.517 40 0 JJABRN COc1cc(CN(C(=O)c2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022575167 555938682 /nfs/dbraw/zinc/93/86/82/555938682.db2.gz PVQRFPDYIPRKAW-UHFFFAOYSA-N 0 0 465.377 4.841 40 0 JJABRN CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](c2ccc(F)cc2)n2c3ccccc3nc2N1 ZINC000022579335 555939327 /nfs/dbraw/zinc/93/93/27/555939327.db2.gz UKQXEHGLXKOCAP-AREMUKBSSA-N 0 0 467.548 4.813 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000022705252 555942815 /nfs/dbraw/zinc/94/28/15/555942815.db2.gz KZHUNRPHDYEMAR-UHFFFAOYSA-N 0 0 469.335 4.876 40 0 JJABRN O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 ZINC000022713417 555946868 /nfs/dbraw/zinc/94/68/68/555946868.db2.gz XYPGDRHWSVLDMD-IAGOWNOFSA-N 0 0 477.319 4.548 40 0 JJABRN Cc1cc(NC(=O)c2ccccc2I)c(C)cc1I ZINC000022713381 555946886 /nfs/dbraw/zinc/94/68/86/555946886.db2.gz ANPDVUSRMVJQNH-UHFFFAOYSA-N 0 0 477.083 4.765 40 0 JJABRN COC(=O)c1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022718544 555948447 /nfs/dbraw/zinc/94/84/47/555948447.db2.gz ZTBYSICFSRITGE-UHFFFAOYSA-N 0 0 481.568 4.855 40 0 JJABRN CC[C@H](C)c1ccc(OCC(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1 ZINC000022739936 555948982 /nfs/dbraw/zinc/94/89/82/555948982.db2.gz MESOCTYLDVPYMZ-FQEVSTJZSA-N 0 0 482.621 4.813 40 0 JJABRN COc1cc(CN(C(=O)COc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022754545 555953364 /nfs/dbraw/zinc/95/33/64/555953364.db2.gz KGDQGHXRSLIZFI-UHFFFAOYSA-N 0 0 495.403 4.606 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000022866084 555962559 /nfs/dbraw/zinc/96/25/59/555962559.db2.gz KWFSMIPUYHZWJM-UHFFFAOYSA-N 0 0 483.977 4.516 40 0 JJABRN COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000012383360 555971473 /nfs/dbraw/zinc/97/14/73/555971473.db2.gz XEORBFKZSBAWIA-NQZBTDCJSA-N 0 0 467.315 4.913 40 0 JJABRN COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@@H]1[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000012383362 555971500 /nfs/dbraw/zinc/97/15/00/555971500.db2.gz XEORBFKZSBAWIA-LPLGYCIKSA-N 0 0 467.315 4.913 40 0 JJABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)CC1 ZINC000012384079 555972596 /nfs/dbraw/zinc/97/25/96/555972596.db2.gz CNKBXMXPTYRIIV-VZAMPYOESA-N 0 0 468.252 4.840 40 0 JJABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)CC1 ZINC000012384080 555972601 /nfs/dbraw/zinc/97/26/01/555972601.db2.gz CNKBXMXPTYRIIV-APYUEPQZSA-N 0 0 468.252 4.840 40 0 JJABRN CC(C)[C@H](C(=O)NN1C(=O)/C(=C/c2ccccn2)N=C1c1ccccc1)c1ccc(Cl)cc1 ZINC000012401247 555975569 /nfs/dbraw/zinc/97/55/69/555975569.db2.gz SHNSNIBOEPLTCX-AEUZFIIDSA-N 0 0 458.949 4.836 40 0 JJABRN CC(C)(C)C(=O)[C@H]1[C@@H](c2ccccc2)[C@@]2(N=C(c3ccccc3)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000016039343 556121158 /nfs/dbraw/zinc/12/11/58/556121158.db2.gz ILSFKDYQNWXPHW-SFOWLQBLSA-N 0 0 477.564 4.901 40 0 JJABRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(I)c1 ZINC000016399219 556137496 /nfs/dbraw/zinc/13/74/96/556137496.db2.gz MJKZCAQZLWTJLL-UHFFFAOYSA-N 0 0 455.708 4.639 40 0 JJABRN O=C(COc1ccc(Br)cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016428802 556138906 /nfs/dbraw/zinc/13/89/06/556138906.db2.gz MROBZYIJFWKCTM-UHFFFAOYSA-N 0 0 456.774 4.604 40 0 JJABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000016575326 556144599 /nfs/dbraw/zinc/14/45/99/556144599.db2.gz PXRVDHLJWBIJCI-UHFFFAOYSA-N 0 0 481.540 4.704 40 0 JJABRN CCc1ccc(-n2cc/c(=N\c3ccccc3OC)c(C(=O)Nc3ccccc3OC)n2)cc1 ZINC000016873024 556170579 /nfs/dbraw/zinc/17/05/79/556170579.db2.gz QJYPFSSURNDMTI-WEMUOSSPSA-N 0 0 454.530 4.937 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cccc(C)c1 ZINC000016959872 556189807 /nfs/dbraw/zinc/18/98/07/556189807.db2.gz LBJYOOFTFVMSDM-UHFFFAOYSA-N 0 0 478.359 4.609 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013023894 556213602 /nfs/dbraw/zinc/21/36/02/556213602.db2.gz ADROGJUSFWWPEB-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013023912 556213636 /nfs/dbraw/zinc/21/36/36/556213636.db2.gz POXASGJYSILJLZ-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013023914 556213672 /nfs/dbraw/zinc/21/36/72/556213672.db2.gz POXASGJYSILJLZ-AREMUKBSSA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024180 556213936 /nfs/dbraw/zinc/21/39/36/556213936.db2.gz AZMZYAOEOSKHDX-XMMPIXPASA-N 0 0 493.608 4.707 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024543 556214611 /nfs/dbraw/zinc/21/46/11/556214611.db2.gz FEFRCWKCPWFDFK-SANMLTNESA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013024754 556214799 /nfs/dbraw/zinc/21/47/99/556214799.db2.gz FBUVXUMANOIZCX-VWLOTQADSA-N 0 0 473.552 4.650 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013024849 556214854 /nfs/dbraw/zinc/21/48/54/556214854.db2.gz JZXRRIRUJVTAPX-MHZLTWQESA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024709 556214859 /nfs/dbraw/zinc/21/48/59/556214859.db2.gz NXHNHFLPQYHXQM-SANMLTNESA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024865 556215158 /nfs/dbraw/zinc/21/51/58/556215158.db2.gz NCIKDKGBRIGHEC-VWLOTQADSA-N 0 0 473.552 4.650 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2C)cc1 ZINC000025449523 556216073 /nfs/dbraw/zinc/21/60/73/556216073.db2.gz OVBWJBONAQCAIJ-UHFFFAOYSA-N 0 0 464.572 4.875 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013025510 556216118 /nfs/dbraw/zinc/21/61/18/556216118.db2.gz OGFMUOSGGLLSHU-AREMUKBSSA-N 0 0 490.556 4.896 40 0 JJABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(=O)OC)cc2)cc1 ZINC000013025490 556216159 /nfs/dbraw/zinc/21/61/59/556216159.db2.gz DDGXLZYJBNGKBC-VWLOTQADSA-N 0 0 490.556 4.912 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025704 556216594 /nfs/dbraw/zinc/21/65/94/556216594.db2.gz GZWXSBHJJNDPGV-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025697 556216608 /nfs/dbraw/zinc/21/66/08/556216608.db2.gz NLOJVJYBMGLJAL-XMMPIXPASA-N 0 0 450.510 4.870 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025732 556216612 /nfs/dbraw/zinc/21/66/12/556216612.db2.gz KVMKPEOESWXAGQ-QHCPKHFHSA-N 0 0 464.493 4.652 40 0 JJABRN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000017086316 556216606 /nfs/dbraw/zinc/21/66/06/556216606.db2.gz BTASSAQRSMUZDW-VWLOTQADSA-N 0 0 485.519 4.932 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)c1OC ZINC000013025974 556217532 /nfs/dbraw/zinc/21/75/32/556217532.db2.gz DTTVSKLLNMOULF-QHCPKHFHSA-N 0 0 466.509 4.883 40 0 JJABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc(OC)c1OC ZINC000013026175 556217869 /nfs/dbraw/zinc/21/78/69/556217869.db2.gz KVVAKRZZOTWELS-XMMPIXPASA-N 0 0 496.535 4.891 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)cc1OC ZINC000013026400 556218474 /nfs/dbraw/zinc/21/84/74/556218474.db2.gz RWDNDSVVXMINLA-SANMLTNESA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1 ZINC000013026504 556218730 /nfs/dbraw/zinc/21/87/30/556218730.db2.gz BXRJLHAOHFFFSM-DEOSSOPVSA-N 0 0 450.510 4.870 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)cc1 ZINC000013026575 556219019 /nfs/dbraw/zinc/21/90/19/556219019.db2.gz GCVIXTNGVMSNIY-RUZDIDTESA-N 0 0 460.530 4.938 40 0 JJABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000013028861 556223142 /nfs/dbraw/zinc/22/31/42/556223142.db2.gz QTYPQWJNKWKNDM-XMMPIXPASA-N 0 0 475.618 4.744 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccsc2)cc1 ZINC000013029396 556223681 /nfs/dbraw/zinc/22/36/81/556223681.db2.gz NNHWRJWCGROLDE-RUZDIDTESA-N 0 0 473.602 4.635 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)c1 ZINC000013029834 556224536 /nfs/dbraw/zinc/22/45/36/556224536.db2.gz FKWAOCXYYKAQSS-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN O=C1CS[C@H](c2cccc(Cl)c2)N1CCN1C(=O)CS[C@H]1c1cccc(Cl)c1 ZINC000017142857 556224756 /nfs/dbraw/zinc/22/47/56/556224756.db2.gz LCRPRIAJZIYABF-BGYRXZFFSA-N 0 0 453.416 4.842 40 0 JJABRN Cc1ccc(C(=O)CC2=N[C@@H]3NN(c4ccccc4)C(=O)C3=C2CC(=O)c2ccc(C)cc2)cc1 ZINC000017142976 556225027 /nfs/dbraw/zinc/22/50/27/556225027.db2.gz XTZDWRSFOKMLQX-MUUNZHRXSA-N 0 0 463.537 4.778 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 ZINC000013031314 556227355 /nfs/dbraw/zinc/22/73/55/556227355.db2.gz KOPQGJLWLKTLRG-VWLOTQADSA-N 0 0 493.995 4.610 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013031364 556227741 /nfs/dbraw/zinc/22/77/41/556227741.db2.gz KVNIKBZGACNBBN-XMMPIXPASA-N 0 0 479.968 4.615 40 0 JJABRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031470 556227934 /nfs/dbraw/zinc/22/79/34/556227934.db2.gz UIUOYUKWVVQRAX-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)c(C)c1 ZINC000013031485 556228042 /nfs/dbraw/zinc/22/80/42/556228042.db2.gz LLJYOJGQMGILMI-MHZLTWQESA-N 0 0 487.604 4.886 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013031872 556229625 /nfs/dbraw/zinc/22/96/25/556229625.db2.gz LHFWBMAIPZGEFW-DEOSSOPVSA-N 0 0 493.011 4.503 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013032097 556230619 /nfs/dbraw/zinc/23/06/19/556230619.db2.gz GYABFNKTJAQECQ-DEOSSOPVSA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013032502 556231444 /nfs/dbraw/zinc/23/14/44/556231444.db2.gz ZHBGLWXOXUOWBT-AREMUKBSSA-N 0 0 485.588 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013032687 556231738 /nfs/dbraw/zinc/23/17/38/556231738.db2.gz CKAPGNFQEBRHLE-HSZRJFAPSA-N 0 0 461.591 4.572 40 0 JJABRN COc1ccc([C@H]2S/C(=C/c3cccc(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219314 556242443 /nfs/dbraw/zinc/24/24/43/556242443.db2.gz ATHLWXUWDDTNDL-CINCIDGWSA-N 0 0 460.555 4.593 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCCCCC1 ZINC000026120221 556248804 /nfs/dbraw/zinc/24/88/04/556248804.db2.gz UUOYPGUNMQGMIJ-UHFFFAOYSA-N 0 0 470.726 4.769 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119917 556248840 /nfs/dbraw/zinc/24/88/40/556248840.db2.gz KFSQWTGHYLIEJG-UHFFFAOYSA-N 0 0 453.029 4.557 40 0 JJABRN O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N[C@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467074 556261177 /nfs/dbraw/zinc/26/11/77/556261177.db2.gz CPLRLNTYQAYHPM-CPUCHLNUSA-N 0 0 467.658 4.594 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000027015691 556268173 /nfs/dbraw/zinc/26/81/73/556268173.db2.gz AMGPDIQQDTWGEK-LQWHRVPQSA-N 0 0 464.827 4.704 40 0 JJABRN CC(C)CCn1c2nn(CN(C)Cc3cccc(Cl)c3)c(=S)n2c2ccccc2c1=O ZINC000013071932 556270362 /nfs/dbraw/zinc/27/03/62/556270362.db2.gz PPKQJHCCMISFOB-UHFFFAOYSA-N 0 0 456.015 4.969 40 0 JJABRN COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000027061870 556273230 /nfs/dbraw/zinc/27/32/30/556273230.db2.gz BTTNZSXKSUGDTG-RJVUUZSNSA-N 0 0 475.932 4.745 40 0 JJABRN Cc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000027095152 556273815 /nfs/dbraw/zinc/27/38/15/556273815.db2.gz IQPSGRUDPXEEQM-OCEWKHMESA-N 0 0 452.554 4.766 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000017991941 556274756 /nfs/dbraw/zinc/27/47/56/556274756.db2.gz WUMVUHCFLQCRAE-FKBYEOEOSA-N 0 0 497.320 4.648 40 0 JJABRN CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000013083193 556279167 /nfs/dbraw/zinc/27/91/67/556279167.db2.gz KNPCTSHYFNXRHB-UHFFFAOYSA-N 0 0 477.396 4.568 40 0 JJABRN Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083619 556280306 /nfs/dbraw/zinc/28/03/06/556280306.db2.gz VUTOFFNUQQCJLF-OAHLLOKOSA-N 0 0 497.386 4.610 40 0 JJABRN O=C(CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12)N1CCc2ccccc21 ZINC000013084060 556281398 /nfs/dbraw/zinc/28/13/98/556281398.db2.gz FKFFZWIYNCFCNE-UHFFFAOYSA-N 0 0 457.534 4.553 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018098376 556287380 /nfs/dbraw/zinc/28/73/80/556287380.db2.gz VNERRIBWWMXGQO-FKBYEOEOSA-N 0 0 497.320 4.648 40 0 JJABRN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000018155699 556295593 /nfs/dbraw/zinc/29/55/93/556295593.db2.gz BHDBMIZMDLRZTN-VSKRKVRLSA-N 0 0 497.334 4.831 40 0 JJABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000028206645 556317243 /nfs/dbraw/zinc/31/72/43/556317243.db2.gz GNHCWVGWVPYOMP-UHFFFAOYSA-N 0 0 460.599 4.533 40 0 JJABRN CN(c1ccc2sc(C(=O)NCCc3ccccc3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209053 556319805 /nfs/dbraw/zinc/31/98/05/556319805.db2.gz APGFQGOKZSSOHK-UHFFFAOYSA-N 0 0 468.575 4.838 40 0 JJABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(F)ccc2F)C1)Nc1cc(F)ccc1F ZINC000019075165 556327553 /nfs/dbraw/zinc/32/75/53/556327553.db2.gz PEVBNGHHAQITFR-ZIAGYGMSSA-N 0 0 452.452 4.993 40 0 JJABRN O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1cccc(Br)c1 ZINC000028534776 556334797 /nfs/dbraw/zinc/33/47/97/556334797.db2.gz SXWYOSJYYKBJEH-UHFFFAOYSA-N 0 0 468.380 4.610 40 0 JJABRN COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(OC)c(Cl)c2)cc1 ZINC000028535276 556335259 /nfs/dbraw/zinc/33/52/59/556335259.db2.gz IQYKIWLQVMYYIY-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN COc1cccc(-n2c(SCC(=O)Nc3ccc(Br)c(C)c3)nnc2-n2cccc2)c1 ZINC000028534812 556335321 /nfs/dbraw/zinc/33/53/21/556335321.db2.gz WVNLTYLUWGHZEG-UHFFFAOYSA-N 0 0 498.406 4.868 40 0 JJABRN O=C(COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21)NCc1ccco1 ZINC000028616742 556336849 /nfs/dbraw/zinc/33/68/49/556336849.db2.gz VDDHTOREYYOZAO-UHFFFAOYSA-N 0 0 468.604 4.694 40 0 JJABRN CCCn1nnnc1COc1nc(CN2CCC(C)CC2)nc2scc(-c3cccs3)c21 ZINC000028616768 556336938 /nfs/dbraw/zinc/33/69/38/556336938.db2.gz KXIALMLKECHIEJ-UHFFFAOYSA-N 0 0 469.640 4.627 40 0 JJABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2ccccn2)c(OC)c1 ZINC000019325043 556341215 /nfs/dbraw/zinc/34/12/15/556341215.db2.gz XWIVQBAPQRNOPZ-UHFFFAOYSA-N 0 0 463.578 4.523 40 0 JJABRN CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 ZINC000029056064 556345743 /nfs/dbraw/zinc/34/57/43/556345743.db2.gz RSQPNXBTPUXMQN-UHFFFAOYSA-N 0 0 473.360 4.501 40 0 in-vitro JJABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N(CC)Cc3ccccc3)cc2c1 ZINC000019526624 556351634 /nfs/dbraw/zinc/35/16/34/556351634.db2.gz UXGFOVSQOPWHBO-MHZLTWQESA-N 0 0 494.599 4.573 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000019568280 556354957 /nfs/dbraw/zinc/35/49/57/556354957.db2.gz QGMIHKZJASCMDU-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN CCN(CC)C(=S)SCC(=O)c1cc(Br)c(C)c(Br)c1O ZINC000019682176 556359804 /nfs/dbraw/zinc/35/98/04/556359804.db2.gz TUHKSCGGPBRCMZ-UHFFFAOYSA-N 0 0 455.237 4.768 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000030751012 556370857 /nfs/dbraw/zinc/37/08/57/556370857.db2.gz PAQYZAGJEVMCAC-UHFFFAOYSA-N 0 0 472.994 4.635 40 0 JJABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000030753040 556371786 /nfs/dbraw/zinc/37/17/86/556371786.db2.gz BAMUPBMJCRLDMY-DEOSSOPVSA-N 0 0 468.575 4.909 40 0 JJABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000030753036 556371836 /nfs/dbraw/zinc/37/18/36/556371836.db2.gz BAMUPBMJCRLDMY-XMMPIXPASA-N 0 0 468.575 4.909 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000030752641 556371952 /nfs/dbraw/zinc/37/19/52/556371952.db2.gz BWHWOQOOTAHFFG-UHFFFAOYSA-N 0 0 466.603 4.598 40 0 JJABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030753832 556372283 /nfs/dbraw/zinc/37/22/83/556372283.db2.gz OBTKIHFBEULXRM-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccccc1 ZINC000030758094 556373855 /nfs/dbraw/zinc/37/38/55/556373855.db2.gz HLAKWUPMOZSBIK-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000030848027 556376165 /nfs/dbraw/zinc/37/61/65/556376165.db2.gz FULJWHJFISXKMW-MHZLTWQESA-N 0 0 460.599 4.832 40 0 JJABRN CC[C@H](C(=O)N[C@@H](c1ccccc1)c1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030854137 556379088 /nfs/dbraw/zinc/37/90/88/556379088.db2.gz WZVOMPVPKZTJHJ-RPWUZVMVSA-N 0 0 454.567 4.585 40 0 JJABRN CC[C@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030858990 556380944 /nfs/dbraw/zinc/38/09/44/556380944.db2.gz IEHZROJBJXJUTM-BJKOFHAPSA-N 0 0 460.640 4.760 40 0 JJABRN O=C(Nc1cccc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000030859522 556381339 /nfs/dbraw/zinc/38/13/39/556381339.db2.gz UVSPXAPBARTPRA-UHFFFAOYSA-N 0 0 487.419 4.783 40 0 JJABRN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030860129 556381545 /nfs/dbraw/zinc/38/15/45/556381545.db2.gz XMCJRYQVJQXFKH-RUZDIDTESA-N 0 0 492.641 4.879 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OC ZINC000030861320 556381909 /nfs/dbraw/zinc/38/19/09/556381909.db2.gz IHJDYAYPSWFQHG-HXUWFJFHSA-N 0 0 476.573 4.699 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000030863596 556382826 /nfs/dbraw/zinc/38/28/26/556382826.db2.gz AESTUFVTOYCRSA-SFHVURJKSA-N 0 0 494.613 4.804 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(C)cc5)nc4nc3C2)c(OC)c1 ZINC000019816960 556383429 /nfs/dbraw/zinc/38/34/29/556383429.db2.gz YNFNEHMKSTXXPK-KRWDZBQOSA-N 0 0 460.559 4.655 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c(OC)c1 ZINC000019816964 556383516 /nfs/dbraw/zinc/38/35/16/556383516.db2.gz OYLKYXZEBKAXQE-HNNXBMFYSA-N 0 0 480.977 5.000 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000030870572 556385082 /nfs/dbraw/zinc/38/50/82/556385082.db2.gz SUEVDQKWUFTQSJ-UTKZUKDTSA-N 0 0 469.434 4.803 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000019820485 556389948 /nfs/dbraw/zinc/38/99/48/556389948.db2.gz FIRZGVUTXAEXHF-ZEQRLZLVSA-N 0 0 457.505 4.799 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 ZINC000019820545 556389975 /nfs/dbraw/zinc/38/99/75/556389975.db2.gz FVLNXCQPLIVICX-IZZNHLLZSA-N 0 0 467.569 4.957 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 ZINC000019820633 556390330 /nfs/dbraw/zinc/39/03/30/556390330.db2.gz CKUXDFNIULWLPV-IZZNHLLZSA-N 0 0 483.568 4.793 40 0 JJABRN CCCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2=O)cc1 ZINC000019831335 556398399 /nfs/dbraw/zinc/39/83/99/556398399.db2.gz MAXIHFUUGPZMDS-SANMLTNESA-N 0 0 497.639 4.762 40 0 JJABRN CCCC[C@H](CC)COC(=O)[C@@H](C)OC(=O)/C=C\C(=O)O[C@@H](C)C(=O)OC[C@@H](CC)CCCC ZINC000031778023 556403963 /nfs/dbraw/zinc/40/39/63/556403963.db2.gz ZWIJZPXEJBHDLU-QOEAXEDYSA-N 0 0 484.630 4.925 40 0 JJABRN O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101264 556416767 /nfs/dbraw/zinc/41/67/67/556416767.db2.gz QHYMDHAELZEMSA-MRXNPFEDSA-N 0 0 492.089 4.713 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000032115109 556422140 /nfs/dbraw/zinc/42/21/40/556422140.db2.gz DZRNTNLVDABQQK-UHFFFAOYSA-N 0 0 478.014 4.986 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC ZINC000032115420 556422670 /nfs/dbraw/zinc/42/26/70/556422670.db2.gz DPHPTSPDCRWBHT-UHFFFAOYSA-N 0 0 463.987 4.678 40 0 JJABRN CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000032125415 556429805 /nfs/dbraw/zinc/42/98/05/556429805.db2.gz VFVAAPMUPPREMR-UHFFFAOYSA-N 0 0 486.641 4.899 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(Br)cc4)o3)oc2c1 ZINC000032127130 556431683 /nfs/dbraw/zinc/43/16/83/556431683.db2.gz NOIFOQGREWQZFD-UHFFFAOYSA-N 0 0 499.346 4.936 40 0 JJABRN CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000032127456 556431774 /nfs/dbraw/zinc/43/17/74/556431774.db2.gz ANLRNXHNTXLGIB-UHFFFAOYSA-N 0 0 473.558 4.619 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 ZINC000032127692 556432324 /nfs/dbraw/zinc/43/23/24/556432324.db2.gz AHSZUTNTCROBJS-UHFFFAOYSA-N 0 0 467.547 4.846 40 0 JJABRN COc1cc2sc(NC(=S)NC(=O)c3ccccc3Br)nc2cc1Cl ZINC000032127937 556432564 /nfs/dbraw/zinc/43/25/64/556432564.db2.gz OBKXEUONPBUTFA-UHFFFAOYSA-N 0 0 456.774 4.848 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)c(Cl)c1)N2Cc1ccc(Cl)cc1 ZINC000032508708 556443469 /nfs/dbraw/zinc/44/34/69/556443469.db2.gz YQWNKSAOGPCCHD-MSOLQXFVSA-N 0 0 475.850 4.917 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000032639914 556459259 /nfs/dbraw/zinc/45/92/59/556459259.db2.gz NFZBVJHWGDCOFV-RDJZCZTQSA-N 0 0 478.920 4.773 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032640497 556462846 /nfs/dbraw/zinc/46/28/46/556462846.db2.gz XCECXIJMPAWQQL-DLBZAZTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 ZINC000032640525 556463090 /nfs/dbraw/zinc/46/30/90/556463090.db2.gz BSIYOSRZOLSQIP-DOTOQJQBSA-N 0 0 463.358 4.547 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640544 556463105 /nfs/dbraw/zinc/46/31/05/556463105.db2.gz MERWTKSDXOQJAK-MJGOQNOKSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640542 556463131 /nfs/dbraw/zinc/46/31/31/556463131.db2.gz MERWTKSDXOQJAK-HKUYNNGSSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032640737 556463478 /nfs/dbraw/zinc/46/34/78/556463478.db2.gz PHONDKVCAAONEX-AEFFLSMTSA-N 0 0 474.957 4.942 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640796 556463716 /nfs/dbraw/zinc/46/37/16/556463716.db2.gz MWAXXYKHKZAPND-MOPGFXCFSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640808 556463764 /nfs/dbraw/zinc/46/37/64/556463764.db2.gz QVPYHDOGWSVCCM-MJGOQNOKSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032640937 556464830 /nfs/dbraw/zinc/46/48/30/556464830.db2.gz VKLMHMZPBMJQOZ-DOTOQJQBSA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032640934 556464845 /nfs/dbraw/zinc/46/48/45/556464845.db2.gz KZEHSDYJKJMDPD-IRXDYDNUSA-N 0 0 489.819 4.517 40 0 JJABRN COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288497 560034773 /nfs/dbraw/zinc/03/47/73/560034773.db2.gz GIYBIAHXIFSGNX-RDJZCZTQSA-N 0 0 477.483 4.626 40 0 biogenic,in-vitro JJABRN C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)C1=C2CC[C@@H]3[C@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]2(C)C[C@H]1O ZINC000253534334 560039890 /nfs/dbraw/zinc/03/98/90/560039890.db2.gz PUCLKHYBLVYMRK-MGIFNPMCSA-N 0 0 490.725 4.795 40 0 biogenic,in-vitro JJABRN CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c3c(cn(C)c2=O)[C@]2(O)CCC(=O)C[C@@H]2O3)CC[C@@H]1C ZINC000257434879 560041838 /nfs/dbraw/zinc/04/18/38/560041838.db2.gz HIEAPHJQEBHMLL-JTRQFCHGSA-N 0 0 471.638 4.962 40 0 biogenic,in-vitro JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008582673 562939831 /nfs/dbraw/zinc/93/98/31/562939831.db2.gz AYOKKHOJNMLLPS-RUZDIDTESA-N 0 0 482.588 4.660 40 0 JJABRN COCCN(C(=O)Cc1cccs1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccc(C(C)C)cc1 ZINC000008618117 562948296 /nfs/dbraw/zinc/94/82/96/562948296.db2.gz YGUJXWRSBKIISC-MHZLTWQESA-N 0 0 494.657 4.955 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008674201 562950501 /nfs/dbraw/zinc/95/05/01/562950501.db2.gz ZRVXFMDTQBOVKD-VWLOTQADSA-N 0 0 484.560 4.730 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000008676805 562950505 /nfs/dbraw/zinc/95/05/05/562950505.db2.gz DHERJUGIVZOXQS-SANMLTNESA-N 0 0 487.604 4.662 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1cccs1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000008685866 562952666 /nfs/dbraw/zinc/95/26/66/562952666.db2.gz DSLWFRZDCXVYLY-DQEYMECFSA-N 0 0 494.613 4.526 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(OC)c1 ZINC000057312847 569596266 /nfs/dbraw/zinc/59/62/66/569596266.db2.gz DHMXQSNAKUWIHN-UHFFFAOYSA-N 0 0 451.479 4.778 40 0 JJABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3O)oc2c(C)c1 ZINC000057313263 569596592 /nfs/dbraw/zinc/59/65/92/569596592.db2.gz MTKWRISUIDUEBC-UHFFFAOYSA-N 0 0 475.555 4.949 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)c1 ZINC000057316360 569597657 /nfs/dbraw/zinc/59/76/57/569597657.db2.gz XQRMQGBGXADXQL-UHFFFAOYSA-N 0 0 480.619 4.721 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)c3)nn12 ZINC000057316990 569598262 /nfs/dbraw/zinc/59/82/62/569598262.db2.gz BFSPXTAVJMHMNE-UHFFFAOYSA-N 0 0 486.395 4.974 40 0 JJABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 ZINC000057317132 569598350 /nfs/dbraw/zinc/59/83/50/569598350.db2.gz XZFUZUYSNDYLCY-NRFANRHFSA-N 0 0 451.611 4.912 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc(C)c1Cl ZINC000057317112 569598360 /nfs/dbraw/zinc/59/83/60/569598360.db2.gz RWLGYASQBWIQOT-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)CC2)cc1 ZINC000057317217 569598485 /nfs/dbraw/zinc/59/84/85/569598485.db2.gz YNCGDUACQBKZIW-UHFFFAOYSA-N 0 0 473.573 4.697 40 0 JJABRN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3O)nc2c1 ZINC000059294187 569602431 /nfs/dbraw/zinc/60/24/31/569602431.db2.gz IWKBJQZVBNIFJK-UHFFFAOYSA-N 0 0 461.528 4.640 40 0 JJABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3O)nc2c1 ZINC000059294572 569602639 /nfs/dbraw/zinc/60/26/39/569602639.db2.gz GJTODQGJVRCSKA-UHFFFAOYSA-N 0 0 475.555 4.894 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000059471956 569604411 /nfs/dbraw/zinc/60/44/11/569604411.db2.gz AGZCEQFXSRVIPP-UHFFFAOYSA-N 0 0 490.581 4.593 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 ZINC000059471958 569604431 /nfs/dbraw/zinc/60/44/31/569604431.db2.gz CRORCQHLMBBZII-UHFFFAOYSA-N 0 0 490.581 4.593 40 0 JJABRN O=C(/C=C/c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000059502312 569606194 /nfs/dbraw/zinc/60/61/94/569606194.db2.gz WCIGFZMEJYYGRB-XNTDXEJSSA-N 0 0 461.315 4.749 40 0 JJABRN O=C(/C=C/c1ccccc1)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1Br ZINC000059502349 569606282 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/nfs/dbraw/zinc/66/90/50/569669050.db2.gz BAABRULRMPULBZ-HXUWFJFHSA-N 0 0 470.310 4.791 40 0 JJABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000034930493 569673420 /nfs/dbraw/zinc/67/34/20/569673420.db2.gz HGJPMAKXKCEESU-UHFFFAOYSA-N 0 0 464.385 4.713 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]21 ZINC000035053023 569674048 /nfs/dbraw/zinc/67/40/48/569674048.db2.gz USIGYKLGIKODTP-ZNMIVQPWSA-N 0 0 478.473 4.648 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000035053029 569674068 /nfs/dbraw/zinc/67/40/68/569674068.db2.gz USIGYKLGIKODTP-RBSFLKMASA-N 0 0 478.473 4.648 40 0 JJABRN Cc1nc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)nc2c1CCC2 ZINC000035085394 569674452 /nfs/dbraw/zinc/67/44/52/569674452.db2.gz NVXSUHSKTYJTDJ-UHFFFAOYSA-N 0 0 492.670 4.875 40 0 JJABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC ZINC000035104725 569674844 /nfs/dbraw/zinc/67/48/44/569674844.db2.gz XKZBYXFSQAWCHL-IIMQCXAKSA-N 0 0 466.987 4.575 40 0 JJABRN COc1ccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000035131628 569675542 /nfs/dbraw/zinc/67/55/42/569675542.db2.gz BVXXESLGGAUHFD-GFCCVEGCSA-N 0 0 479.389 4.597 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000035132354 569675553 /nfs/dbraw/zinc/67/55/53/569675553.db2.gz LENPZEBCODNPJQ-HXUWFJFHSA-N 0 0 490.004 4.948 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000035145857 569675785 /nfs/dbraw/zinc/67/57/85/569675785.db2.gz JIGWZLXKLXZAER-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN CCn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000035167752 569677224 /nfs/dbraw/zinc/67/72/24/569677224.db2.gz VNYHCWWJOQRMEM-NRFANRHFSA-N 0 0 459.546 4.796 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)C2=O)o1 ZINC000035169356 569677262 /nfs/dbraw/zinc/67/72/62/569677262.db2.gz MNPQABMPUONZQA-RGVLZGJSSA-N 0 0 481.482 4.658 40 0 JJABRN 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/nfs/dbraw/zinc/70/41/24/569704124.db2.gz OVCASSGTXJLCTQ-UHFFFAOYSA-N 0 0 496.372 4.905 40 0 JJABRN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)c1 ZINC000035684156 569706810 /nfs/dbraw/zinc/70/68/10/569706810.db2.gz CIZKOCZXLPNDTQ-UHFFFAOYSA-N 0 0 476.334 4.843 40 0 JJABRN O=C(NCc1cc(F)cc(F)c1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037440 569732359 /nfs/dbraw/zinc/73/23/59/569732359.db2.gz OKMUOHLYJPAMJJ-UHFFFAOYSA-N 0 0 457.484 4.993 40 0 JJABRN COc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000097464830 569745044 /nfs/dbraw/zinc/74/50/44/569745044.db2.gz NXNRZMZYTUWXGY-NXCFDTQHSA-N 0 0 450.494 4.900 40 0 JJABRN COc1ccc(C(=O)c2nn(-c3ccccc3)c3c(O)n(-c4cc(Cl)ccc4Cl)c(O)c23)cc1 ZINC000100354635 569757972 /nfs/dbraw/zinc/75/79/72/569757972.db2.gz BAEKZKFUOAAURM-IRLDBZIGSA-N 0 0 494.334 4.619 40 0 JJABRN COc1ccc(OC)c(C(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)c1 ZINC000100362126 569758041 /nfs/dbraw/zinc/75/80/41/569758041.db2.gz VUKVTVXHFIWCSP-UHFFFAOYSA-N 0 0 454.577 4.518 40 0 JJABRN COC(=O)c1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 ZINC000100386429 569758415 /nfs/dbraw/zinc/75/84/15/569758415.db2.gz SGOIPVJARXJXNB-UHFFFAOYSA-N 0 0 469.592 4.597 40 0 JJABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc5c(c4)OCO5)nnc3c2c1C ZINC000100386445 569758450 /nfs/dbraw/zinc/75/84/50/569758450.db2.gz AWDVSVHHLRQEGC-UHFFFAOYSA-N 0 0 455.565 4.539 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nc2-c2ccc(OC)cc2)cc1 ZINC000100477126 569761851 /nfs/dbraw/zinc/76/18/51/569761851.db2.gz NSQNIGXSLCKTFC-UHFFFAOYSA-N 0 0 498.564 4.692 40 0 JJABRN COc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3C)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000100713556 569767545 /nfs/dbraw/zinc/76/75/45/569767545.db2.gz UZERHSVQCGYKMO-VABKMULXSA-N 0 0 493.357 4.817 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cccs4)N(c4ccc(Cl)cc4)O[C@@H]3C2=O)cc1 ZINC000100799284 569770514 /nfs/dbraw/zinc/77/05/14/569770514.db2.gz PKKVEPJHYSGKOU-HKBOAZHASA-N 0 0 482.945 4.629 40 0 JJABRN 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ZINC000222492655 569884840 /nfs/dbraw/zinc/88/48/40/569884840.db2.gz KLLWNXNWISRNPB-QFIPXVFZSA-N 0 0 489.374 4.897 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000222501395 569884920 /nfs/dbraw/zinc/88/49/20/569884920.db2.gz RJMYFFOTUSHDOK-RDPSFJRHSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222501530 569884925 /nfs/dbraw/zinc/88/49/25/569884925.db2.gz FRNDVCMJCWPEGU-GBXCKJPGSA-N 0 0 456.652 4.959 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000222534250 569885217 /nfs/dbraw/zinc/88/52/17/569885217.db2.gz ZAEOPVUWEIOQKH-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222534735 569885226 /nfs/dbraw/zinc/88/52/26/569885226.db2.gz BDPDDFLABGJLNC-BWKNWUBXSA-N 0 0 454.611 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000222534585 569885231 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IHEVTTBNWCFUCT-JOCHJYFZSA-N 0 0 489.374 4.897 40 0 JJABRN Cc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1C ZINC000222545969 569885493 /nfs/dbraw/zinc/88/54/93/569885493.db2.gz BYVXASDYSJYNCQ-INIZCTEOSA-N 0 0 455.407 4.674 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)C ZINC000222555915 569885764 /nfs/dbraw/zinc/88/57/64/569885764.db2.gz BSCRFGFPMDRFPA-HYBUGGRVSA-N 0 0 454.611 4.920 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)C ZINC000222556124 569885778 /nfs/dbraw/zinc/88/57/78/569885778.db2.gz BSCRFGFPMDRFPA-RDPSFJRHSA-N 0 0 454.611 4.920 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222557622 569885799 /nfs/dbraw/zinc/88/57/99/569885799.db2.gz MWTMIFDKCQUKTL-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2C)cc1 ZINC000222558670 569885809 /nfs/dbraw/zinc/88/58/09/569885809.db2.gz PBVLNCVLKLTVDO-UHFFFAOYSA-N 0 0 462.622 4.709 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222567049 569885894 /nfs/dbraw/zinc/88/58/94/569885894.db2.gz SMUUCXSDMRRPHY-GBXCKJPGSA-N 0 0 456.652 4.693 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000222574254 569886097 /nfs/dbraw/zinc/88/60/97/569886097.db2.gz UPOICHXEHOVLPJ-UHFFFAOYSA-N 0 0 482.945 4.617 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCSCc2ccccc2)cc1)S(C)(=O)=O ZINC000222583420 569886289 /nfs/dbraw/zinc/88/62/89/569886289.db2.gz FNBHZGVSIZABNC-UHFFFAOYSA-N 0 0 482.671 4.933 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222584636 569886334 /nfs/dbraw/zinc/88/63/34/569886334.db2.gz XXZRGMKBOLDULI-AREMUKBSSA-N 0 0 476.592 4.925 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 ZINC000222587682 569886383 /nfs/dbraw/zinc/88/63/83/569886383.db2.gz LVUHYTQZJYANLB-UHFFFAOYSA-N 0 0 487.474 4.981 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222586597 569886409 /nfs/dbraw/zinc/88/64/09/569886409.db2.gz RODIBOMYEIYVTG-UHFFFAOYSA-N 0 0 496.972 4.736 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c2ccccc12 ZINC000222588030 569886454 /nfs/dbraw/zinc/88/64/54/569886454.db2.gz DIJGQVCOKJJLOM-UHFFFAOYSA-N 0 0 490.581 4.699 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000222593169 569886532 /nfs/dbraw/zinc/88/65/32/569886532.db2.gz KAGPSRDHAUENFA-HSZRJFAPSA-N 0 0 497.458 4.927 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000222594439 569886556 /nfs/dbraw/zinc/88/65/56/569886556.db2.gz PRMXTBMNJWPUAB-UHFFFAOYSA-N 0 0 494.411 4.626 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c2ccccc12 ZINC000222592934 569886567 /nfs/dbraw/zinc/88/65/67/569886567.db2.gz YQVMIEZHUAQKQH-UHFFFAOYSA-N 0 0 482.945 4.595 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c2ccccc12 ZINC000222594048 569886579 /nfs/dbraw/zinc/88/65/79/569886579.db2.gz GCBOETYMNPEQDR-UHFFFAOYSA-N 0 0 462.527 4.534 40 0 JJABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000222628385 569887280 /nfs/dbraw/zinc/88/72/80/569887280.db2.gz NXDBBQZXOSSJBG-HXUWFJFHSA-N 0 0 496.629 4.778 40 0 JJABRN COC(=O)c1cn(C(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc12 ZINC000222638268 569887493 /nfs/dbraw/zinc/88/74/93/569887493.db2.gz MUSPJNWJXZWLDY-UHFFFAOYSA-N 0 0 483.373 4.621 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222641141 569887564 /nfs/dbraw/zinc/88/75/64/569887564.db2.gz DXVNTMFOTOZKEJ-OAQYLSRUSA-N 0 0 479.390 4.607 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1F ZINC000222643104 569887615 /nfs/dbraw/zinc/88/76/15/569887615.db2.gz FHPBOSXGZKYMMD-HSZRJFAPSA-N 0 0 483.381 4.517 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C ZINC000222643387 569887621 /nfs/dbraw/zinc/88/76/21/569887621.db2.gz PJAJGQHWSIVMKN-HSZRJFAPSA-N 0 0 495.417 4.522 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc32)cc1)c1ccccc1 ZINC000222642535 569887633 /nfs/dbraw/zinc/88/76/33/569887633.db2.gz XLLMGEFENMPAOY-HXUWFJFHSA-N 0 0 474.582 4.575 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)C)cc1OCC ZINC000222647085 569887736 /nfs/dbraw/zinc/88/77/36/569887736.db2.gz GZIVIZQLAWYHSP-QHCPKHFHSA-N 0 0 472.601 4.888 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222663091 569887974 /nfs/dbraw/zinc/88/79/74/569887974.db2.gz ZAIXJQHHRYFKAV-HNNXBMFYSA-N 0 0 481.818 4.813 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000222666552 569888045 /nfs/dbraw/zinc/88/80/45/569888045.db2.gz DBSPSQHEXBIQPR-UHFFFAOYSA-N 0 0 471.022 4.981 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000222666368 569888063 /nfs/dbraw/zinc/88/80/63/569888063.db2.gz BOCSYZWMEWMPRH-HXUWFJFHSA-N 0 0 454.611 4.749 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)c1 ZINC000222690277 569888652 /nfs/dbraw/zinc/88/86/52/569888652.db2.gz FQVNWTMPQZLASY-UHFFFAOYSA-N 0 0 460.555 4.644 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1C ZINC000222692901 569888762 /nfs/dbraw/zinc/88/87/62/569888762.db2.gz PIHIKXAKVGFWLP-XMMPIXPASA-N 0 0 479.418 4.686 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC ZINC000222705440 569889135 /nfs/dbraw/zinc/88/91/35/569889135.db2.gz FWSRIQVUSWGYPW-IBGZPJMESA-N 0 0 467.393 4.713 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222718106 569889426 /nfs/dbraw/zinc/88/94/26/569889426.db2.gz CFQCTCMXVUKYGB-CQSZACIVSA-N 0 0 457.785 4.806 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222718162 569889467 /nfs/dbraw/zinc/88/94/67/569889467.db2.gz CFQCTCMXVUKYGB-AWEZNQCLSA-N 0 0 457.785 4.806 40 0 JJABRN Cc1cccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735616 569889842 /nfs/dbraw/zinc/88/98/42/569889842.db2.gz CEJBKBMVWNJJCT-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222748712 569890211 /nfs/dbraw/zinc/89/02/11/569890211.db2.gz LVUGCRRSFKPAFL-FQEVSTJZSA-N 0 0 479.404 4.987 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)c(C)c1 ZINC000222763974 569890509 /nfs/dbraw/zinc/89/05/09/569890509.db2.gz FAYIKCUYLVTNRZ-CYBMUJFWSA-N 0 0 488.209 4.606 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(Cl)c1 ZINC000222762878 569890543 /nfs/dbraw/zinc/89/05/43/569890543.db2.gz PLVNQPVVSOBKJB-UHFFFAOYSA-N 0 0 485.418 4.697 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222770090 569890613 /nfs/dbraw/zinc/89/06/13/569890613.db2.gz CGYCCEVIFSWQFV-HXUWFJFHSA-N 0 0 464.993 4.667 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(OCc2ccccc2)cc1 ZINC000222768594 569890640 /nfs/dbraw/zinc/89/06/40/569890640.db2.gz ITCOGCDCZSMTPS-UHFFFAOYSA-N 0 0 474.582 4.501 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222774509 569890810 /nfs/dbraw/zinc/89/08/10/569890810.db2.gz JOZFKAWSPMKYDU-HXUWFJFHSA-N 0 0 466.603 4.639 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000222779362 569890838 /nfs/dbraw/zinc/89/08/38/569890838.db2.gz LDGGFWPIZKEZGH-UHFFFAOYSA-N 0 0 456.995 4.988 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1 ZINC000222789374 569891102 /nfs/dbraw/zinc/89/11/02/569891102.db2.gz FRSRKZXLTBWZFF-QHCPKHFHSA-N 0 0 471.384 4.758 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000222790206 569891172 /nfs/dbraw/zinc/89/11/72/569891172.db2.gz AXCOOUZRBKWBTN-HSZRJFAPSA-N 0 0 455.385 4.922 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000222795566 569891280 /nfs/dbraw/zinc/89/12/80/569891280.db2.gz ILUYVEWYQWSTIY-GOSISDBHSA-N 0 0 454.567 4.845 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222801746 569891426 /nfs/dbraw/zinc/89/14/26/569891426.db2.gz INNMEBVDYFSTHC-FQEVSTJZSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000222806995 569891571 /nfs/dbraw/zinc/89/15/71/569891571.db2.gz XJIJQXHYBGIGSO-FQEVSTJZSA-N 0 0 495.019 4.942 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccccc2)cc1OC ZINC000222806848 569891596 /nfs/dbraw/zinc/89/15/96/569891596.db2.gz PQKQTUYLUZDSHD-IBGZPJMESA-N 0 0 480.992 4.633 40 0 JJABRN C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222806915 569891597 /nfs/dbraw/zinc/89/15/97/569891597.db2.gz SLTYDARDBUZCIY-AWEZNQCLSA-N 0 0 484.927 4.983 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 ZINC000222811027 569891679 /nfs/dbraw/zinc/89/16/79/569891679.db2.gz NQVMKQDCMGDXOO-UHFFFAOYSA-N 0 0 464.509 4.721 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000222830700 569892134 /nfs/dbraw/zinc/89/21/34/569892134.db2.gz MDFMJGNBZSXRQU-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000222832698 569892169 /nfs/dbraw/zinc/89/21/69/569892169.db2.gz GZJAYBSRSKPCRP-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222839917 569892374 /nfs/dbraw/zinc/89/23/74/569892374.db2.gz VTGZXBKTMMLAFC-VWLOTQADSA-N 0 0 497.060 4.968 40 0 JJABRN CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)c1ccc(F)cc1 ZINC000222839920 569892382 /nfs/dbraw/zinc/89/23/82/569892382.db2.gz NCKGBIOSGBGTDW-UHFFFAOYSA-N 0 0 483.348 4.975 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222848725 569892610 /nfs/dbraw/zinc/89/26/10/569892610.db2.gz NTDBZXRYBYQHML-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222848798 569892646 /nfs/dbraw/zinc/89/26/46/569892646.db2.gz MUQLKVUQUNTOLZ-SFHVURJKSA-N 0 0 461.002 4.840 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000222850003 569892654 /nfs/dbraw/zinc/89/26/54/569892654.db2.gz IFOPQOISHLLSNG-OAHLLOKOSA-N 0 0 481.818 4.813 40 0 JJABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1 ZINC000222850405 569892671 /nfs/dbraw/zinc/89/26/71/569892671.db2.gz GGPBHGPTBKOGDW-HXUWFJFHSA-N 0 0 450.966 4.761 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222850306 569892674 /nfs/dbraw/zinc/89/26/74/569892674.db2.gz NEUBCCRHMUXPQL-HXUWFJFHSA-N 0 0 467.393 4.713 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1Cl ZINC000222851931 569892760 /nfs/dbraw/zinc/89/27/60/569892760.db2.gz DOEOPJUMBSSLEE-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3sncc3c2)cc1)c1ccccc1 ZINC000222856390 569892875 /nfs/dbraw/zinc/89/28/75/569892875.db2.gz ZSOFRUWZGKGMME-QGZVFWFLSA-N 0 0 465.600 4.907 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000222860678 569892915 /nfs/dbraw/zinc/89/29/15/569892915.db2.gz AQXSESOOWWDTJQ-UHFFFAOYSA-N 0 0 466.603 4.550 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222870259 569893175 /nfs/dbraw/zinc/89/31/75/569893175.db2.gz PYIARTHJAHPOJA-SANMLTNESA-N 0 0 495.019 4.894 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000222870036 569893205 /nfs/dbraw/zinc/89/32/05/569893205.db2.gz VIWLKVZJEFRMPI-HHHXNRCGSA-N 0 0 474.601 4.549 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222874160 569893217 /nfs/dbraw/zinc/89/32/17/569893217.db2.gz DDNWGYFVYSHZJS-MHZLTWQESA-N 0 0 474.601 4.584 40 0 JJABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222881489 569893393 /nfs/dbraw/zinc/89/33/93/569893393.db2.gz BNUGQUQIOBFONT-SFHVURJKSA-N 0 0 484.955 4.600 40 0 JJABRN C[C@@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222883508 569893440 /nfs/dbraw/zinc/89/34/40/569893440.db2.gz IZSPNAISZKOIOQ-AWEZNQCLSA-N 0 0 451.375 4.618 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222882859 569893467 /nfs/dbraw/zinc/89/34/67/569893467.db2.gz GACHTQSDEQNLAW-HSZRJFAPSA-N 0 0 461.002 4.840 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1OC ZINC000222882987 569893479 /nfs/dbraw/zinc/89/34/79/569893479.db2.gz KIQJPBSLOSHJBA-HXUWFJFHSA-N 0 0 482.596 4.809 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222886050 569893549 /nfs/dbraw/zinc/89/35/49/569893549.db2.gz GMXNPJZUGRVMLB-DEOSSOPVSA-N 0 0 454.611 4.704 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222885910 569893556 /nfs/dbraw/zinc/89/35/56/569893556.db2.gz PEEWPVLGFDZSIG-QFIPXVFZSA-N 0 0 461.002 4.676 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222892578 569893717 /nfs/dbraw/zinc/89/37/17/569893717.db2.gz AXDKVPZFZVYDFZ-AWEZNQCLSA-N 0 0 499.808 4.952 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000222895635 569893813 /nfs/dbraw/zinc/89/38/13/569893813.db2.gz UMQALGUPBGSDFC-IBGZPJMESA-N 0 0 472.601 4.888 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222898106 569893891 /nfs/dbraw/zinc/89/38/91/569893891.db2.gz VVYYUMQAJKWKFI-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)c1 ZINC000222911154 569894161 /nfs/dbraw/zinc/89/41/61/569894161.db2.gz OVAVZBUQMISGAU-FQEVSTJZSA-N 0 0 478.614 4.647 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222924747 569894536 /nfs/dbraw/zinc/89/45/36/569894536.db2.gz KJAFXFBYWGOBHW-IBGZPJMESA-N 0 0 482.983 4.806 40 0 JJABRN C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222928194 569894620 /nfs/dbraw/zinc/89/46/20/569894620.db2.gz JVEBXLFYVCVBDL-GOSISDBHSA-N 0 0 454.929 4.592 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 ZINC000222931919 569894728 /nfs/dbraw/zinc/89/47/28/569894728.db2.gz HXLLNPKSCHDNTD-IBGZPJMESA-N 0 0 478.614 4.890 40 0 JJABRN COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222932137 569894750 /nfs/dbraw/zinc/89/47/50/569894750.db2.gz QCELJVFGVLKUJQ-OAHLLOKOSA-N 0 0 497.419 4.721 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000222934550 569894829 /nfs/dbraw/zinc/89/48/29/569894829.db2.gz RUVBGZNOVLLESP-UHFFFAOYSA-N 0 0 497.067 4.834 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222935548 569894853 /nfs/dbraw/zinc/89/48/53/569894853.db2.gz HESMYAWCYHPEAQ-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1c(Cl)cccc1Cl ZINC000222939486 569894959 /nfs/dbraw/zinc/89/49/59/569894959.db2.gz YYLGUWJBFIKROF-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN 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ZINC000222985451 569896191 /nfs/dbraw/zinc/89/61/91/569896191.db2.gz WGPZTLDYTDKFRZ-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc2c(c1)CCCC2 ZINC000222993164 569896389 /nfs/dbraw/zinc/89/63/89/569896389.db2.gz QGMUUXBHTNBHHQ-WZONZLPQSA-N 0 0 475.054 4.638 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223020850 569896974 /nfs/dbraw/zinc/89/69/74/569896974.db2.gz PSFBNSYGCYIJQO-MRXNPFEDSA-N 0 0 481.818 4.652 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223023000 569897066 /nfs/dbraw/zinc/89/70/66/569897066.db2.gz LMFNQYSJWUFNTJ-MUUNZHRXSA-N 0 0 488.628 4.795 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025444 569897112 /nfs/dbraw/zinc/89/71/12/569897112.db2.gz KOTKRTLPFFTRMB-NDEPHWFRSA-N 0 0 472.629 4.958 40 0 JJABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223027795 569897159 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ZINC000223058889 569898052 /nfs/dbraw/zinc/89/80/52/569898052.db2.gz NZWOJIFZQCRGDJ-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061693 569898155 /nfs/dbraw/zinc/89/81/55/569898155.db2.gz ICMJUBPODSIJMK-FQEVSTJZSA-N 0 0 456.652 4.877 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000223061274 569898179 /nfs/dbraw/zinc/89/81/79/569898179.db2.gz OLDAFFHHABHYMP-SQHAQQRYSA-N 0 0 490.625 4.789 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223062152 569898189 /nfs/dbraw/zinc/89/81/89/569898189.db2.gz FOPHBPXARWQNQN-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000223065468 569898303 /nfs/dbraw/zinc/89/83/03/569898303.db2.gz HCOHZFQIXYXNFT-NHCUHLMSSA-N 0 0 471.424 4.644 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223071932 569898602 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JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000223116830 569899909 /nfs/dbraw/zinc/89/99/09/569899909.db2.gz AOFVVVBEOQNUSK-XMMPIXPASA-N 0 0 495.417 4.604 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1OC ZINC000223120317 569899994 /nfs/dbraw/zinc/89/99/94/569899994.db2.gz FGLADYYOVKNNCD-VWLOTQADSA-N 0 0 495.019 4.676 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1 ZINC000223119833 569900038 /nfs/dbraw/zinc/90/00/38/569900038.db2.gz SQMNTYKEMIHRKJ-RUZDIDTESA-N 0 0 450.966 4.625 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 ZINC000223122349 569900095 /nfs/dbraw/zinc/90/00/95/569900095.db2.gz PQGQGFSSCADMSS-DNQXCXABSA-N 0 0 460.603 4.964 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223122726 569900151 /nfs/dbraw/zinc/90/01/51/569900151.db2.gz IYWGXZMKZKSHHD-BJKOFHAPSA-N 0 0 460.603 4.964 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223122773 569900178 /nfs/dbraw/zinc/90/01/78/569900178.db2.gz IYWGXZMKZKSHHD-ZEQRLZLVSA-N 0 0 460.603 4.964 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223125445 569900305 /nfs/dbraw/zinc/90/03/05/569900305.db2.gz NGELEAIKPZFRDJ-NRFANRHFSA-N 0 0 485.628 4.955 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223128670 569900321 /nfs/dbraw/zinc/90/03/21/569900321.db2.gz XGTQMKDELWUYAL-SANMLTNESA-N 0 0 458.602 4.965 40 0 JJABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223135231 569900626 /nfs/dbraw/zinc/90/06/26/569900626.db2.gz CXWAFRIAEWZRDO-SANMLTNESA-N 0 0 479.020 4.675 40 0 JJABRN CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223135842 569900665 /nfs/dbraw/zinc/90/06/65/569900665.db2.gz QRZPJBAWZKMBEN-SANMLTNESA-N 0 0 498.689 4.949 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223143010 569900950 /nfs/dbraw/zinc/90/09/50/569900950.db2.gz TXBNATNNUJUBTB-RUZDIDTESA-N 0 0 454.636 4.542 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223144068 569901017 /nfs/dbraw/zinc/90/10/17/569901017.db2.gz KKOJHAJNYOHKEF-SJORKVTESA-N 0 0 463.441 4.873 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000223143969 569901038 /nfs/dbraw/zinc/90/10/38/569901038.db2.gz GRUALVPPNRKCDX-QPPBQGQZSA-N 0 0 475.054 4.887 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223143948 569901048 /nfs/dbraw/zinc/90/10/48/569901048.db2.gz KKOJHAJNYOHKEF-IAGOWNOFSA-N 0 0 463.441 4.873 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223148000 569901155 /nfs/dbraw/zinc/90/11/55/569901155.db2.gz QHVBXMXPHWWWDC-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN 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ZINC000223174796 569902094 /nfs/dbraw/zinc/90/20/94/569902094.db2.gz UPGBJJUGLLVKOW-GOSISDBHSA-N 0 0 469.006 4.901 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223175894 569902148 /nfs/dbraw/zinc/90/21/48/569902148.db2.gz QXKAZOBVDREHGD-JKSUJKDBSA-N 0 0 465.819 4.977 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223176503 569902170 /nfs/dbraw/zinc/90/21/70/569902170.db2.gz GKBAWSKYMPQEOK-LJQANCHMSA-N 0 0 461.002 4.841 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C ZINC000223176675 569902172 /nfs/dbraw/zinc/90/21/72/569902172.db2.gz KWGLACGZLQKDQE-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223177784 569902194 /nfs/dbraw/zinc/90/21/94/569902194.db2.gz FRKMNAPCLRQKEN-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180562 569902312 /nfs/dbraw/zinc/90/23/12/569902312.db2.gz 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JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)ccc1C ZINC000223188670 569902710 /nfs/dbraw/zinc/90/27/10/569902710.db2.gz BKWJGYWFVCBYAM-OALUTQOASA-N 0 0 459.428 4.940 40 0 JJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223194463 569902869 /nfs/dbraw/zinc/90/28/69/569902869.db2.gz YGPLCYJMYJCBDV-AREMUKBSSA-N 0 0 462.565 4.543 40 0 JJABRN COc1cc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)ccc1OC(C)C ZINC000223194641 569902901 /nfs/dbraw/zinc/90/29/01/569902901.db2.gz LJIKBGBRSBKCFW-JCMHNJIXSA-N 0 0 464.587 4.940 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1CCCN1CCOCC1 ZINC000223199066 569903160 /nfs/dbraw/zinc/90/31/60/569903160.db2.gz XGPDCRZOGOGDOJ-RPWUZVMVSA-N 0 0 480.659 4.521 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223199265 569903205 /nfs/dbraw/zinc/90/32/05/569903205.db2.gz MTMZLPCUOSRKJR-CVEARBPZSA-N 0 0 465.819 4.977 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223203058 569903313 /nfs/dbraw/zinc/90/33/13/569903313.db2.gz HBLNZIBWKFSQPA-OXJNMPFZSA-N 0 0 495.472 4.901 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223202341 569903319 /nfs/dbraw/zinc/90/33/19/569903319.db2.gz CIXZKFREPXQHFC-QHCPKHFHSA-N 0 0 471.601 4.831 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223203931 569903351 /nfs/dbraw/zinc/90/33/51/569903351.db2.gz GMGZOHCJOCOPHN-JWQCQUIFSA-N 0 0 497.064 4.998 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc2c(c1)CCC2 ZINC000223204319 569903389 /nfs/dbraw/zinc/90/33/89/569903389.db2.gz ZFTTYLGRZLHGEW-GKVSMKOHSA-N 0 0 497.016 4.662 40 0 JJABRN O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000223207381 569903496 /nfs/dbraw/zinc/90/34/96/569903496.db2.gz OQGWCQIUODVWKC-UHFFFAOYSA-N 0 0 471.019 4.916 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000223209679 569903573 /nfs/dbraw/zinc/90/35/73/569903573.db2.gz CQUVEXPSTNLCLV-HHHXNRCGSA-N 0 0 458.602 4.930 40 0 JJABRN C[C@H](NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223211598 569903630 /nfs/dbraw/zinc/90/36/30/569903630.db2.gz AGIRSGWNCBWFJR-IBGZPJMESA-N 0 0 464.587 4.611 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl ZINC000223211831 569903665 /nfs/dbraw/zinc/90/36/65/569903665.db2.gz VTPDZDNWIMPGNG-DEOSSOPVSA-N 0 0 464.993 4.803 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223218590 569903861 /nfs/dbraw/zinc/90/38/61/569903861.db2.gz QSGXPXZYXRJTNE-HHHXNRCGSA-N 0 0 486.543 4.754 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223223334 569903970 /nfs/dbraw/zinc/90/39/70/569903970.db2.gz FIRUSZXJMXTZJL-IBGZPJMESA-N 0 0 461.002 4.841 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223236612 569904469 /nfs/dbraw/zinc/90/44/69/569904469.db2.gz QELNKFUPLPFHIP-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223237419 569904502 /nfs/dbraw/zinc/90/45/02/569904502.db2.gz IBIZIWJYYGMBSK-QKKBWIMNSA-N 0 0 469.434 4.904 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)COc3ccc(Br)cc3Cl)s2)cc1 ZINC000223237869 569904514 /nfs/dbraw/zinc/90/45/14/569904514.db2.gz XDMPJDQGDMSOBP-UHFFFAOYSA-N 0 0 454.733 4.647 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000223240865 569904594 /nfs/dbraw/zinc/90/45/94/569904594.db2.gz WGBXTPONNZMKLZ-ROUUACIJSA-N 0 0 475.427 4.722 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223242816 569904700 /nfs/dbraw/zinc/90/47/00/569904700.db2.gz YSFIWPXUGHOYNR-HXUWFJFHSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1)S(C)(=O)=O ZINC000223251665 569904924 /nfs/dbraw/zinc/90/49/24/569904924.db2.gz YYIOXTZDMBXLAC-UHFFFAOYSA-N 0 0 491.613 4.649 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223253160 569904964 /nfs/dbraw/zinc/90/49/64/569904964.db2.gz YCCZXRFIURDOLQ-HZPDHXFCSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223255069 569905057 /nfs/dbraw/zinc/90/50/57/569905057.db2.gz FZOCJHYDFHVEBY-XMMPIXPASA-N 0 0 454.611 4.885 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000223260373 569905256 /nfs/dbraw/zinc/90/52/56/569905256.db2.gz GOLUQAPXEYOXPT-KRWDZBQOSA-N 0 0 464.612 4.640 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C ZINC000223268363 569905534 /nfs/dbraw/zinc/90/55/34/569905534.db2.gz XXAONIVFBYDWLI-AREMUKBSSA-N 0 0 458.602 4.767 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223270506 569905550 /nfs/dbraw/zinc/90/55/50/569905550.db2.gz KPSZQCDFWSUIHG-GOSISDBHSA-N 0 0 493.417 4.917 40 0 JJABRN 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569906309 /nfs/dbraw/zinc/90/63/09/569906309.db2.gz KCYKZJVNABXEDR-MRXNPFEDSA-N 0 0 497.455 4.533 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223288286 569906350 /nfs/dbraw/zinc/90/63/50/569906350.db2.gz RJJIOSIJRVCQFW-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1C(C)C ZINC000223297772 569906559 /nfs/dbraw/zinc/90/65/59/569906559.db2.gz DHWRXSNLROATBD-HNNXBMFYSA-N 0 0 470.994 4.563 40 0 JJABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1Cl ZINC000223301205 569906606 /nfs/dbraw/zinc/90/66/06/569906606.db2.gz USCUIGKFPHAIGR-SSKFGXFMSA-N 0 0 456.974 4.816 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1C[C@@H]1CCCO1 ZINC000223299693 569906641 /nfs/dbraw/zinc/90/66/41/569906641.db2.gz PMUCXGDSDNUWPB-USCONSEESA-N 0 0 461.616 4.634 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223301079 569906642 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ZINC000223526842 569914589 /nfs/dbraw/zinc/91/45/89/569914589.db2.gz DHLXDRQWRYLYGA-INIZCTEOSA-N 0 0 476.957 4.560 40 0 JJABRN Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 ZINC000223532313 569914798 /nfs/dbraw/zinc/91/47/98/569914798.db2.gz VEEFCFRVNFKFIA-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN O=C(NCCOc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000223532615 569914827 /nfs/dbraw/zinc/91/48/27/569914827.db2.gz REHNOQINDLCUTG-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN COCc1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000223536200 569914997 /nfs/dbraw/zinc/91/49/97/569914997.db2.gz YGJQJDMOMCBUBE-UHFFFAOYSA-N 0 0 479.385 4.974 40 0 JJABRN CN(c1ccc(C(=O)NCCOc2cccc3ccccc32)cc1)S(=O)(=O)c1cccs1 ZINC000223542822 569915368 /nfs/dbraw/zinc/91/53/68/569915368.db2.gz AQZVXAYZXRSHEC-UHFFFAOYSA-N 0 0 466.584 4.535 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2cccc(C)c2)cc1 ZINC000223544894 569915453 /nfs/dbraw/zinc/91/54/53/569915453.db2.gz INIMLDDBYJNOBU-UHFFFAOYSA-N 0 0 494.657 4.991 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223546116 569915464 /nfs/dbraw/zinc/91/54/64/569915464.db2.gz FKJSQHNJHFTJSG-DQEYMECFSA-N 0 0 454.603 4.506 40 0 JJABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223546583 569915524 /nfs/dbraw/zinc/91/55/24/569915524.db2.gz GDEXMDDNTWRHGL-NDEPHWFRSA-N 0 0 490.600 4.551 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)c(C)c2)c2cc(C)ccc2C)cc1 ZINC000223551711 569915687 /nfs/dbraw/zinc/91/56/87/569915687.db2.gz ZBPIFBWXZQFYKG-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2ccc(C)c(C)c2)cc1 ZINC000223555648 569915836 /nfs/dbraw/zinc/91/58/36/569915836.db2.gz WGGGEGWBUXIAPI-JOCHJYFZSA-N 0 0 450.604 4.727 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000223559565 569916044 /nfs/dbraw/zinc/91/60/44/569916044.db2.gz SDLKVYLMXLCUAH-UHFFFAOYSA-N 0 0 466.603 4.509 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)o1 ZINC000223561910 569916159 /nfs/dbraw/zinc/91/61/59/569916159.db2.gz FZGBRWZFWHMDBR-BJKOFHAPSA-N 0 0 470.554 4.696 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000223562249 569916208 /nfs/dbraw/zinc/91/62/08/569916208.db2.gz OWUPYEKUDLVYRD-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1cccc2ccccc21)S(C)(=O)=O ZINC000223566610 569916316 /nfs/dbraw/zinc/91/63/16/569916316.db2.gz ADBBXKZPYAAIGE-UHFFFAOYSA-N 0 0 475.010 4.543 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 ZINC000223576569 569916593 /nfs/dbraw/zinc/91/65/93/569916593.db2.gz BZCNEZAFRZRLBT-NRFANRHFSA-N 0 0 460.640 4.922 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223581373 569916828 /nfs/dbraw/zinc/91/68/28/569916828.db2.gz WEWYNRLYHUBHEV-SFHVURJKSA-N 0 0 489.454 4.987 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 ZINC000223584701 569916926 /nfs/dbraw/zinc/91/69/26/569916926.db2.gz BXNULENVRFMDQD-UHFFFAOYSA-N 0 0 488.609 4.847 40 0 JJABRN COc1ccc2c(c1)[C@H](NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000223586401 569917054 /nfs/dbraw/zinc/91/70/54/569917054.db2.gz FIQCATDLECDBQK-HXUWFJFHSA-N 0 0 495.041 4.622 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223595696 569917291 /nfs/dbraw/zinc/91/72/91/569917291.db2.gz UZVKCUSHQDWVGH-LJQANCHMSA-N 0 0 487.021 4.772 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1)S(C)(=O)=O ZINC000223598482 569917401 /nfs/dbraw/zinc/91/74/01/569917401.db2.gz IKUNESAAKMEAQM-UHFFFAOYSA-N 0 0 488.609 4.923 40 0 JJABRN COc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000223610520 569917862 /nfs/dbraw/zinc/91/78/62/569917862.db2.gz STUNEMCUCFSFSK-UHFFFAOYSA-N 0 0 465.015 4.549 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223618227 569918046 /nfs/dbraw/zinc/91/80/46/569918046.db2.gz QEFMVKJQEHLPFD-JOCHJYFZSA-N 0 0 461.002 4.758 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223625057 569918245 /nfs/dbraw/zinc/91/82/45/569918245.db2.gz DXMBKOPRNRWRBW-GOSISDBHSA-N 0 0 475.427 4.813 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000223626280 569918298 /nfs/dbraw/zinc/91/82/98/569918298.db2.gz LFXZTCUFTBMTCC-QFIPXVFZSA-N 0 0 460.615 4.790 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000223631404 569918401 /nfs/dbraw/zinc/91/84/01/569918401.db2.gz KIJLPFUCBFVEOS-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223631515 569918418 /nfs/dbraw/zinc/91/84/18/569918418.db2.gz YKZPKWWEPNTEBZ-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223633649 569918501 /nfs/dbraw/zinc/91/85/01/569918501.db2.gz VNFOWFSFVWAJES-XMMPIXPASA-N 0 0 471.601 4.832 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223633592 569918511 /nfs/dbraw/zinc/91/85/11/569918511.db2.gz RYXXLGCVFOLRBM-JOCHJYFZSA-N 0 0 495.428 4.886 40 0 JJABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223633218 569918517 /nfs/dbraw/zinc/91/85/17/569918517.db2.gz VYVBHWGOMIRXIG-PMACEKPBSA-N 0 0 476.371 4.598 40 0 JJABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000223635077 569918552 /nfs/dbraw/zinc/91/85/52/569918552.db2.gz YHMBLRBAUIBHBD-UHFFFAOYSA-N 0 0 464.385 4.584 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000223652385 569919028 /nfs/dbraw/zinc/91/90/28/569919028.db2.gz BDAYLGGMTKQKHG-LVXARBLLSA-N 0 0 462.565 4.759 40 0 JJABRN C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223653055 569919066 /nfs/dbraw/zinc/91/90/66/569919066.db2.gz VVJOYPWPQGGZJR-OAHLLOKOSA-N 0 0 487.449 4.641 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223654899 569919103 /nfs/dbraw/zinc/91/91/03/569919103.db2.gz ZLGITIQTSAHWOL-QFIPXVFZSA-N 0 0 481.058 4.686 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223659005 569919293 /nfs/dbraw/zinc/91/92/93/569919293.db2.gz XFSBPWSYRWKFPV-DEOSSOPVSA-N 0 0 454.611 4.885 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223659320 569919303 /nfs/dbraw/zinc/91/93/03/569919303.db2.gz IIVOIPAOJCLECM-XMMPIXPASA-N 0 0 470.610 4.585 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223663125 569919365 /nfs/dbraw/zinc/91/93/65/569919365.db2.gz XKGLYGCBLVQXLM-HSZRJFAPSA-N 0 0 454.611 4.721 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223665979 569919398 /nfs/dbraw/zinc/91/93/98/569919398.db2.gz GVGASIFGEYOSMW-DQEYMECFSA-N 0 0 456.571 4.561 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223670530 569919498 /nfs/dbraw/zinc/91/94/98/569919498.db2.gz XGEBSSDKMKDGPY-GOSISDBHSA-N 0 0 489.454 4.987 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223677327 569919719 /nfs/dbraw/zinc/91/97/19/569919719.db2.gz CSDOPMPBIQWQLB-HSZRJFAPSA-N 0 0 456.652 4.693 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223681663 569919801 /nfs/dbraw/zinc/91/98/01/569919801.db2.gz MRLGZCPTMGSRTL-UHFFFAOYSA-N 0 0 498.620 4.822 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223680453 569919811 /nfs/dbraw/zinc/91/98/11/569919811.db2.gz IHRCULHPQHAUCR-UHFFFAOYSA-N 0 0 496.629 4.738 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223686347 569919962 /nfs/dbraw/zinc/91/99/62/569919962.db2.gz INSBYZFHHQBXSK-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 ZINC000223688549 569919973 /nfs/dbraw/zinc/91/99/73/569919973.db2.gz FSEKEVLUMMTEKH-JOCHJYFZSA-N 0 0 475.427 4.860 40 0 JJABRN C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223693303 569920144 /nfs/dbraw/zinc/92/01/44/569920144.db2.gz UOPRNPLYXWRVAX-HNNXBMFYSA-N 0 0 487.449 4.641 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000223695252 569920244 /nfs/dbraw/zinc/92/02/44/569920244.db2.gz NVEFWBZBUZYUCU-UHFFFAOYSA-N 0 0 498.620 4.898 40 0 JJABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)c1C ZINC000223697895 569920334 /nfs/dbraw/zinc/92/03/34/569920334.db2.gz UNTXBJZDECTEDZ-UHFFFAOYSA-N 0 0 485.650 4.551 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223700435 569920438 /nfs/dbraw/zinc/92/04/38/569920438.db2.gz ARXOHSBCBPTHLC-DQEYMECFSA-N 0 0 456.571 4.561 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223704322 569920533 /nfs/dbraw/zinc/92/05/33/569920533.db2.gz RUJBYOIRUXNHRR-XMMPIXPASA-N 0 0 454.611 4.619 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223710672 569920760 /nfs/dbraw/zinc/92/07/60/569920760.db2.gz MMXSCFXAFQLCHM-KDYSTLNUSA-N 0 0 492.591 4.768 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1Cl ZINC000223715589 569920956 /nfs/dbraw/zinc/92/09/56/569920956.db2.gz XDYZWOGQYWMWMS-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223718790 569920969 /nfs/dbraw/zinc/92/09/69/569920969.db2.gz QEOPBODHZCAWLC-GOSISDBHSA-N 0 0 477.992 4.787 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Br)cc3)s2)cc1 ZINC000223718526 569921010 /nfs/dbraw/zinc/92/10/10/569921010.db2.gz FVRRPDWDSWTQFU-UHFFFAOYSA-N 0 0 450.383 4.848 40 0 JJABRN C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223723244 569921222 /nfs/dbraw/zinc/92/12/22/569921222.db2.gz WSLIZJTVLDGDKA-HNNXBMFYSA-N 0 0 487.449 4.641 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223725695 569921258 /nfs/dbraw/zinc/92/12/58/569921258.db2.gz YIXZEGVXEWAAHD-XMMPIXPASA-N 0 0 471.601 4.832 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223726491 569921321 /nfs/dbraw/zinc/92/13/21/569921321.db2.gz MBNHZMDNHWFHEX-FQEVSTJZSA-N 0 0 485.021 4.516 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223729844 569921418 /nfs/dbraw/zinc/92/14/18/569921418.db2.gz CGQKPLYLXCFZEZ-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223729433 569921439 /nfs/dbraw/zinc/92/14/39/569921439.db2.gz RACUKBUBHFRPRP-OAQYLSRUSA-N 0 0 460.640 4.922 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223731423 569921450 /nfs/dbraw/zinc/92/14/50/569921450.db2.gz SRXOYAIZBCGMMQ-RUZDIDTESA-N 0 0 480.992 4.504 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223731036 569921455 /nfs/dbraw/zinc/92/14/55/569921455.db2.gz GLQODVUROMJXDP-FGZHOGPDSA-N 0 0 488.535 4.817 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000223730890 569921477 /nfs/dbraw/zinc/92/14/77/569921477.db2.gz GLQODVUROMJXDP-VXKWHMMOSA-N 0 0 488.535 4.817 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000223732042 569921499 /nfs/dbraw/zinc/92/14/99/569921499.db2.gz OAWFQPFWTXKCJU-FGZHOGPDSA-N 0 0 499.434 4.561 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223736270 569921593 /nfs/dbraw/zinc/92/15/93/569921593.db2.gz PKJZMABHUMQQSK-FGZHOGPDSA-N 0 0 455.967 4.921 40 0 JJABRN CCOc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223736019 569921617 /nfs/dbraw/zinc/92/16/17/569921617.db2.gz DIHTYZPDKFKROO-LJQANCHMSA-N 0 0 487.021 4.854 40 0 JJABRN COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)CC(C)(C)O2 ZINC000223745212 569921934 /nfs/dbraw/zinc/92/19/34/569921934.db2.gz YFOPIBVKVQWYME-UAPYWLNTSA-N 0 0 460.530 4.786 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCOc2ccccc2Cl)cc1 ZINC000223749783 569922050 /nfs/dbraw/zinc/92/20/50/569922050.db2.gz ZWRIJKILGOAKKW-UHFFFAOYSA-N 0 0 493.412 4.768 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 ZINC000223750201 569922061 /nfs/dbraw/zinc/92/20/61/569922061.db2.gz DMFSKSNCRVEXED-UHFFFAOYSA-N 0 0 480.630 4.763 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000223749956 569922085 /nfs/dbraw/zinc/92/20/85/569922085.db2.gz VEWLJYUDOLOTEJ-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN CCc1ccc(OCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000223750865 569922105 /nfs/dbraw/zinc/92/21/05/569922105.db2.gz QLHOBVJYPCCQAM-UHFFFAOYSA-N 0 0 487.021 4.677 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223757798 569922299 /nfs/dbraw/zinc/92/22/99/569922299.db2.gz CKYMNTTWYMOIEV-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223759451 569922381 /nfs/dbraw/zinc/92/23/81/569922381.db2.gz OZQZECBDEQQUOR-HXUWFJFHSA-N 0 0 454.636 4.713 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 ZINC000223759736 569922406 /nfs/dbraw/zinc/92/24/06/569922406.db2.gz HVIOXPQRNIOSMT-RXFWQSSRSA-N 0 0 480.555 4.898 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223762330 569922495 /nfs/dbraw/zinc/92/24/95/569922495.db2.gz XFWCPACWYXWLFE-GOSISDBHSA-N 0 0 461.002 4.623 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000223762678 569922498 /nfs/dbraw/zinc/92/24/98/569922498.db2.gz GZIATCFINBGVAB-UHFFFAOYSA-N 0 0 466.603 4.585 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223762396 569922499 /nfs/dbraw/zinc/92/24/99/569922499.db2.gz XFWCPACWYXWLFE-SFHVURJKSA-N 0 0 461.002 4.623 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223762818 569922527 /nfs/dbraw/zinc/92/25/27/569922527.db2.gz RFDSWULJUBDFPT-SFHVURJKSA-N 0 0 477.992 4.787 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223769927 569922719 /nfs/dbraw/zinc/92/27/19/569922719.db2.gz BRVBLILJNPOAMA-MUUNZHRXSA-N 0 0 472.629 4.966 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCOC3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000223770707 569922770 /nfs/dbraw/zinc/92/27/70/569922770.db2.gz HTKUBJPRFIKHMB-UHFFFAOYSA-N 0 0 472.651 4.739 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccccc3C(C)C)c2)cc1 ZINC000223772805 569922788 /nfs/dbraw/zinc/92/27/88/569922788.db2.gz DMBYIWDHYSSADN-UHFFFAOYSA-N 0 0 452.576 4.728 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)S(C)(=O)=O)c1 ZINC000223772483 569922813 /nfs/dbraw/zinc/92/28/13/569922813.db2.gz GOPZYCZPTRHALJ-UHFFFAOYSA-N 0 0 480.630 4.893 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223778966 569923022 /nfs/dbraw/zinc/92/30/22/569923022.db2.gz GIKQXGSQPNXVAW-AWEZNQCLSA-N 0 0 457.785 4.969 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCOC)c2C)cc1 ZINC000223794501 569923614 /nfs/dbraw/zinc/92/36/14/569923614.db2.gz IYJVAJHEOOBTPJ-ZEQRLZLVSA-N 0 0 450.608 4.722 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223825686 569924444 /nfs/dbraw/zinc/92/44/44/569924444.db2.gz QMGFGQNZQMTYDW-GOSISDBHSA-N 0 0 470.997 4.520 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(CC)cc1Br ZINC000223829866 569924587 /nfs/dbraw/zinc/92/45/87/569924587.db2.gz XYCILXNMUUZOOV-MRXNPFEDSA-N 0 0 495.845 4.987 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccncc1 ZINC000223846958 569924976 /nfs/dbraw/zinc/92/49/76/569924976.db2.gz BWAZOLGSVIISIN-JWQCQUIFSA-N 0 0 455.587 4.826 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223849335 569925046 /nfs/dbraw/zinc/92/50/46/569925046.db2.gz ALUCHVXMIDLCCH-CTNGQTDRSA-N 0 0 458.624 4.657 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1OC ZINC000223859047 569925366 /nfs/dbraw/zinc/92/53/66/569925366.db2.gz LSPWHLHBRIVEQS-SFHVURJKSA-N 0 0 473.013 4.766 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223880453 569926094 /nfs/dbraw/zinc/92/60/94/569926094.db2.gz MRELJOJDFDHKKB-BJKOFHAPSA-N 0 0 470.554 4.542 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223890751 569926434 /nfs/dbraw/zinc/92/64/34/569926434.db2.gz OFJQBHZSRQZNQK-QGZVFWFLSA-N 0 0 493.467 4.634 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000223902840 569926738 /nfs/dbraw/zinc/92/67/38/569926738.db2.gz YWEYSQLSUCWAFO-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2cc(C)cc(C)c2)cc1 ZINC000223906585 569926858 /nfs/dbraw/zinc/92/68/58/569926858.db2.gz WRTOOHNUBCVTTN-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(Cl)cc2)cc1 ZINC000223907088 569926883 /nfs/dbraw/zinc/92/68/83/569926883.db2.gz JOIHAYZUKFMZHE-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223913214 569927077 /nfs/dbraw/zinc/92/70/77/569927077.db2.gz UYJWJCAFYGSUMU-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223918023 569927216 /nfs/dbraw/zinc/92/72/16/569927216.db2.gz RJSPWFKHXILYIH-FTJBHMTQSA-N 0 0 497.624 4.902 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223917674 569927254 /nfs/dbraw/zinc/92/72/54/569927254.db2.gz HROWPWQNDFYLDS-IZZNHLLZSA-N 0 0 497.624 4.902 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000223919462 569927296 /nfs/dbraw/zinc/92/72/96/569927296.db2.gz ICBZXTKQDAVUOY-UHFFFAOYSA-N 0 0 472.994 4.591 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)c1 ZINC000223921662 569927426 /nfs/dbraw/zinc/92/74/26/569927426.db2.gz GFPSRSDZJWQZBV-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccccc1Cl ZINC000223926378 569927522 /nfs/dbraw/zinc/92/75/22/569927522.db2.gz VIWIMNIYDWSNRH-INIZCTEOSA-N 0 0 465.819 4.979 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223925815 569927528 /nfs/dbraw/zinc/92/75/28/569927528.db2.gz QHBSYVWHAZPTRZ-UZLBHIALSA-N 0 0 465.015 4.693 40 0 JJABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1cccnc1 ZINC000223927418 569927550 /nfs/dbraw/zinc/92/75/50/569927550.db2.gz GIHASXRZZLEAID-SVBPBHIXSA-N 0 0 496.640 4.589 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cccc(C)c1 ZINC000223929422 569927617 /nfs/dbraw/zinc/92/76/17/569927617.db2.gz RJTPKFMNXSZKKH-SFHVURJKSA-N 0 0 477.468 4.934 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223934029 569927706 /nfs/dbraw/zinc/92/77/06/569927706.db2.gz PEKJSVKLNIRDAN-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1NC(=O)C(C)C ZINC000223935150 569927760 /nfs/dbraw/zinc/92/77/60/569927760.db2.gz QFQPONLTIBQITR-UHFFFAOYSA-N 0 0 464.653 4.701 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1C ZINC000223940217 569927813 /nfs/dbraw/zinc/92/78/13/569927813.db2.gz CUYBYGYNHVTJOD-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000223941234 569927886 /nfs/dbraw/zinc/92/78/86/569927886.db2.gz UXYKXDHCJGVLGZ-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2C)c1 ZINC000223942761 569927931 /nfs/dbraw/zinc/92/79/31/569927931.db2.gz VAKHFGYIHDJQSK-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2C)c1 ZINC000223942917 569927964 /nfs/dbraw/zinc/92/79/64/569927964.db2.gz FBTBIYCCOWIVQB-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C)ccc2C)cc1C ZINC000223948142 569928157 /nfs/dbraw/zinc/92/81/57/569928157.db2.gz UNWHIOBXGWKDEO-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223960713 569928519 /nfs/dbraw/zinc/92/85/19/569928519.db2.gz CKISSOVKMWDVHW-HNNXBMFYSA-N 0 0 451.792 4.589 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223963684 569928625 /nfs/dbraw/zinc/92/86/25/569928625.db2.gz OQLRDXXMHFNBSM-RPBOFIJWSA-N 0 0 468.586 4.711 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000223963873 569928659 /nfs/dbraw/zinc/92/86/59/569928659.db2.gz PANWFRZNFBUDPX-KCWPFWIISA-N 0 0 488.628 4.937 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223968539 569928916 /nfs/dbraw/zinc/92/89/16/569928916.db2.gz RBTZTDZGBARFTF-INIZCTEOSA-N 0 0 481.431 4.765 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223974829 569929057 /nfs/dbraw/zinc/92/90/57/569929057.db2.gz CZCDUSOVZCYGGK-OAHLLOKOSA-N 0 0 467.368 4.987 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223974225 569929083 /nfs/dbraw/zinc/92/90/83/569929083.db2.gz FPBWNKIEQHGWFY-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000223979681 569929265 /nfs/dbraw/zinc/92/92/65/569929265.db2.gz KZLGMWMHQCHWKR-MHZLTWQESA-N 0 0 460.599 4.886 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223980577 569929342 /nfs/dbraw/zinc/92/93/42/569929342.db2.gz LVQRQAHWDIUCKB-HSZRJFAPSA-N 0 0 460.615 4.791 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccc(C)c(C)c2)cc1 ZINC000223986705 569929531 /nfs/dbraw/zinc/92/95/31/569929531.db2.gz JJMWAVOEBOQVPR-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccc(Cl)cc2)cc1 ZINC000223987116 569929571 /nfs/dbraw/zinc/92/95/71/569929571.db2.gz SXBQZURYCXCVDK-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223991853 569929707 /nfs/dbraw/zinc/92/97/07/569929707.db2.gz JAKFDJUKXDHOKG-XMMPIXPASA-N 0 0 472.651 4.661 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc2ccccc2c1Br ZINC000223996803 569929869 /nfs/dbraw/zinc/92/98/69/569929869.db2.gz LGRODBJUMZPKGT-KRWDZBQOSA-N 0 0 499.405 4.543 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(Cc4ccncc4)cc3)Oc3ccccc32)cc1 ZINC000223999303 569929985 /nfs/dbraw/zinc/92/99/85/569929985.db2.gz GTJCVMRPQCLDMQ-MHZLTWQESA-N 0 0 499.592 4.576 40 0 JJABRN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)ccc3C)ccc2Cl)c1 ZINC000224001942 569929998 /nfs/dbraw/zinc/92/99/98/569929998.db2.gz LJCQEDNJZXXSFH-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1Cc1ccncc1 ZINC000224003483 569930095 /nfs/dbraw/zinc/93/00/95/569930095.db2.gz 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CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000408674781 570009613 /nfs/dbraw/zinc/00/96/13/570009613.db2.gz CMEKAKHNWNCFSE-UHFFFAOYSA-N 0 0 471.532 4.676 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000408674942 570009753 /nfs/dbraw/zinc/00/97/53/570009753.db2.gz FDYPHLZFYUOPKE-UHFFFAOYSA-N 0 0 456.539 4.823 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(C)c2)cc1 ZINC000408675069 570010011 /nfs/dbraw/zinc/01/00/11/570010011.db2.gz QJUBHOKLTSFVIH-UHFFFAOYSA-N 0 0 468.575 4.747 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000225616720 570010049 /nfs/dbraw/zinc/01/00/49/570010049.db2.gz NXAFSDUXUPOUIS-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn21 ZINC000408675340 570010172 /nfs/dbraw/zinc/01/01/72/570010172.db2.gz HTADKHNJSCVTFO-UHFFFAOYSA-N 0 0 472.497 4.540 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(C)c2)cc1C ZINC000408675445 570010225 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CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)c2)cc1 ZINC000408684276 570013472 /nfs/dbraw/zinc/01/34/72/570013472.db2.gz OPEHYGCFGSSIAG-XZOQPEGZSA-N 0 0 460.530 4.742 40 0 JJABRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225666763 570013508 /nfs/dbraw/zinc/01/35/08/570013508.db2.gz GJRWDFGQDCBPEO-GOSISDBHSA-N 0 0 477.992 4.643 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1)S(C)(=O)=O ZINC000225670322 570013649 /nfs/dbraw/zinc/01/36/49/570013649.db2.gz QTAWAKHVDLZUGB-UHFFFAOYSA-N 0 0 490.676 4.813 40 0 JJABRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cc4ccncc4)cc3)C(=O)[C@H]2C1 ZINC000408684873 570013703 /nfs/dbraw/zinc/01/37/03/570013703.db2.gz POPCVLVOQHQERQ-VWNXMTODSA-N 0 0 451.526 4.770 40 0 JJABRN O=C(c1ccccc1Cl)N(Cc1ccc(Br)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000408685346 570013750 /nfs/dbraw/zinc/01/37/50/570013750.db2.gz PCXHSJFKVAUAQE-IRXDYDNUSA-N 0 0 473.754 4.611 40 0 JJABRN O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000408685129 570013765 /nfs/dbraw/zinc/01/37/65/570013765.db2.gz QEDWFHPOUFVKAR-YNYZQZDBSA-N 0 0 472.500 4.936 40 0 JJABRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000408685123 570013778 /nfs/dbraw/zinc/01/37/78/570013778.db2.gz QEDWFHPOUFVKAR-NCAGQIRNSA-N 0 0 472.500 4.936 40 0 JJABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1Cl ZINC000225677243 570014124 /nfs/dbraw/zinc/01/41/24/570014124.db2.gz RUEKANBMKVDHOP-QGZVFWFLSA-N 0 0 451.007 4.902 40 0 JJABRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000225683032 570014393 /nfs/dbraw/zinc/01/43/93/570014393.db2.gz UULSWIIOSVELEA-RRPNLBNLSA-N 0 0 496.640 4.636 40 0 JJABRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408687693 570014404 /nfs/dbraw/zinc/01/44/04/570014404.db2.gz VGZCHYWVGHQHBS-JWQCQUIFSA-N 0 0 451.526 4.770 40 0 JJABRN COc1ccc(C(=O)C[C@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408687826 570014421 /nfs/dbraw/zinc/01/44/21/570014421.db2.gz VFKWQAIAYKBRDR-HSZRJFAPSA-N 0 0 456.947 4.955 40 0 JJABRN COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(=O)N3CCCCC3)cc1)CC(C)(C)O2 ZINC000225684403 570014538 /nfs/dbraw/zinc/01/45/38/570014538.db2.gz ABQCCJKKYRTKBF-OAQYLSRUSA-N 0 0 453.608 4.910 40 0 JJABRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 ZINC000408688445 570014598 /nfs/dbraw/zinc/01/45/98/570014598.db2.gz WIDWGAGXVCTUJT-HEFCMCLBSA-N 0 0 487.781 4.857 40 0 JJABRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)s1 ZINC000408688935 570014662 /nfs/dbraw/zinc/01/46/62/570014662.db2.gz RIIAOSHQWFHMAY-UHFFFAOYSA-N 0 0 482.562 4.546 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc(C)c1Br ZINC000225688170 570014768 /nfs/dbraw/zinc/01/47/68/570014768.db2.gz MBVZVEMLKBYLNZ-GOSISDBHSA-N 0 0 493.417 4.773 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)c(Br)c1 ZINC000225688366 570014831 /nfs/dbraw/zinc/01/48/31/570014831.db2.gz SJICJCQVAWJLOR-QGZVFWFLSA-N 0 0 493.417 4.719 40 0 JJABRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000225692181 570015141 /nfs/dbraw/zinc/01/51/41/570015141.db2.gz FCSZDNRPUILMOW-RRPNLBNLSA-N 0 0 497.624 4.888 40 0 JJABRN COc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Br)cc2)cc1 ZINC000408692883 570015675 /nfs/dbraw/zinc/01/56/75/570015675.db2.gz XOLIDCVYIVTBDJ-UHFFFAOYSA-N 0 0 455.356 4.768 40 0 JJABRN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1cccc2ccccc21 ZINC000225702207 570016018 /nfs/dbraw/zinc/01/60/18/570016018.db2.gz PJYUZLSDHXUUJK-RRPNLBNLSA-N 0 0 499.640 4.684 40 0 JJABRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000225703895 570016106 /nfs/dbraw/zinc/01/61/06/570016106.db2.gz IKSZBCNLNHNCEN-INIZCTEOSA-N 0 0 465.819 4.835 40 0 JJABRN Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1cccc2ccccc21 ZINC000225708942 570016500 /nfs/dbraw/zinc/01/65/00/570016500.db2.gz LGMZOGDPIRQSFZ-JWQCQUIFSA-N 0 0 455.587 4.575 40 0 JJABRN CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(F)cccc1Cl ZINC000225710533 570016626 /nfs/dbraw/zinc/01/66/26/570016626.db2.gz RACNYXNSMMLEGM-OAHLLOKOSA-N 0 0 483.809 4.974 40 0 JJABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000225711248 570016713 /nfs/dbraw/zinc/01/67/13/570016713.db2.gz TVLGCYBBEHUOOI-KRWDZBQOSA-N 0 0 463.441 4.731 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000225713583 570016821 /nfs/dbraw/zinc/01/68/21/570016821.db2.gz HUSRDNWWJQFLTA-NRFANRHFSA-N 0 0 475.427 4.777 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(C)C ZINC000408694413 570016929 /nfs/dbraw/zinc/01/69/29/570016929.db2.gz GCZUNGDRDYPJPM-UHFFFAOYSA-N 0 0 474.604 4.729 40 0 JJABRN Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc3ccccc32)c1 ZINC000225714746 570016960 /nfs/dbraw/zinc/01/69/60/570016960.db2.gz 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0 JJABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409026726 570104592 /nfs/dbraw/zinc/10/45/92/570104592.db2.gz WHRLRGUKZQOVGN-HHHXNRCGSA-N 0 0 473.598 4.851 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1Cl ZINC000409027503 570104918 /nfs/dbraw/zinc/10/49/18/570104918.db2.gz DBUYPSGGLCOERM-UHFFFAOYSA-N 0 0 495.881 4.771 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253616910 570104976 /nfs/dbraw/zinc/10/49/76/570104976.db2.gz YAWXWTBZUPBAEB-VWNXMTODSA-N 0 0 464.614 4.791 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccc(F)cc2)cc1 ZINC000409027832 570105090 /nfs/dbraw/zinc/10/50/90/570105090.db2.gz HSMZIVKRMJQSDY-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN CCc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409028995 570105377 /nfs/dbraw/zinc/10/53/77/570105377.db2.gz WOFYYCVZQNZTMR-UHFFFAOYSA-N 0 0 482.671 4.802 40 0 JJABRN CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)N(C)C1=S ZINC000409031925 570105942 /nfs/dbraw/zinc/10/59/42/570105942.db2.gz ICNKTPIGJSTBIL-YBEGLDIGSA-N 0 0 451.773 4.711 40 0 JJABRN CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)N(C)C1=S ZINC000409041000 570107459 /nfs/dbraw/zinc/10/74/59/570107459.db2.gz ZOHPOGJXQBBGRQ-MFOYZWKCSA-N 0 0 479.371 4.596 40 0 JJABRN COc1cccc(OC)c1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257201483 570108186 /nfs/dbraw/zinc/10/81/86/570108186.db2.gz AHWDMSLAZGXGAY-GOSISDBHSA-N 0 0 470.953 4.721 40 0 JJABRN COc1cccc(OC)c1OCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257201484 570108198 /nfs/dbraw/zinc/10/81/98/570108198.db2.gz AHWDMSLAZGXGAY-SFHVURJKSA-N 0 0 470.953 4.721 40 0 JJABRN Cc1cc(Nc2cccc(C(=O)N3CCC4(C[C@H](Oc5ccccc5)CO4)CC3)c2)nc(C)n1 ZINC000257202080 570108476 /nfs/dbraw/zinc/10/84/76/570108476.db2.gz AKIWPQVHTUQVDF-DEOSSOPVSA-N 0 0 458.562 4.680 40 0 JJABRN O=C(c1ccc(-c2cncnc2)nc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000257202329 570108495 /nfs/dbraw/zinc/10/84/95/570108495.db2.gz ALHSWYPFIQIPDH-UHFFFAOYSA-N 0 0 453.521 4.683 40 0 JJABRN Cc1c(/C=c2\sc3nc(C)c(C(C)C)c(=O)n3c2=O)c2cccc(C)c2n1Cc1ccccc1 ZINC000409047818 570109222 /nfs/dbraw/zinc/10/92/22/570109222.db2.gz NFWNDGOVTKDDCP-UCQKPKSFSA-N 0 0 469.610 4.716 40 0 JJABRN Cc1ccccc1Oc1cncc([C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)n1 ZINC000257204662 570109248 /nfs/dbraw/zinc/10/92/48/570109248.db2.gz AVULRHHODCQUFF-HSZRJFAPSA-N 0 0 470.573 4.720 40 0 JJABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](Cc3ccc4cnccc4c3)CC2)n1 ZINC000257206997 570110002 /nfs/dbraw/zinc/11/00/02/570110002.db2.gz BFUCDQVRBGBLAW-HXUWFJFHSA-N 0 0 467.573 4.706 40 0 JJABRN O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2nccnc2Oc2cccc(Cl)c2)C1 ZINC000257207026 570110039 /nfs/dbraw/zinc/11/00/39/570110039.db2.gz BGAMGLUZXNDXMK-SFHVURJKSA-N 0 0 460.925 4.523 40 0 JJABRN Cc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409051816 570110220 /nfs/dbraw/zinc/11/02/20/570110220.db2.gz FEKZJLQQAPOLPA-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1OC ZINC000409052345 570110343 /nfs/dbraw/zinc/11/03/43/570110343.db2.gz SDDMGMKCYLECIX-BOPFTXTBSA-N 0 0 482.327 4.721 40 0 JJABRN COc1ccc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCCCC3)C2)cc1F ZINC000257211063 570111399 /nfs/dbraw/zinc/11/13/99/570111399.db2.gz BXJAHKVRNHBYFT-CVDCTZTESA-N 0 0 488.987 4.800 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2ccccc2F)cc1 ZINC000409055313 570111521 /nfs/dbraw/zinc/11/15/21/570111521.db2.gz KUTBJBSGPCWJPM-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257214115 570112378 /nfs/dbraw/zinc/11/23/78/570112378.db2.gz CKODZADRKQRVEO-IBGZPJMESA-N 0 0 456.926 4.679 40 0 JJABRN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)c3cccc(-c4ccc(N)nc4)n3)CC2)n1 ZINC000257215144 570112590 /nfs/dbraw/zinc/11/25/90/570112590.db2.gz COWWPFRKDAMHMH-UHFFFAOYSA-N 0 0 466.545 4.636 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(Br)cc1O ZINC000409058124 570112814 /nfs/dbraw/zinc/11/28/14/570112814.db2.gz RMICXZPEDGIRDD-ZDLGFXPLSA-N 0 0 482.327 4.808 40 0 JJABRN CCCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409058620 570113030 /nfs/dbraw/zinc/11/30/30/570113030.db2.gz UBQNXNAJUHHXKI-UHFFFAOYSA-N 0 0 463.814 4.754 40 0 JJABRN Cc1ccc(C2(C(=O)N3CC[C@@H]4[C@@H]3CCCCC(=O)N4Cc3cccc(C)c3)CCOCC2)cc1 ZINC000257217222 570113314 /nfs/dbraw/zinc/11/33/14/570113314.db2.gz CYCIBOCFAZATRW-RRPNLBNLSA-N 0 0 474.645 4.924 40 0 JJABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257217648 570113315 /nfs/dbraw/zinc/11/33/15/570113315.db2.gz CZXTXOYPKFYCIG-DEOSSOPVSA-N 0 0 471.576 4.954 40 0 JJABRN COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409059720 570113529 /nfs/dbraw/zinc/11/35/29/570113529.db2.gz XGWXUWXWBPXJQS-LHHJGKSTSA-N 0 0 472.122 4.524 40 0 JJABRN CCN1C[C@@H](c2cc(NCc3ccccc3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O ZINC000257219230 570113834 /nfs/dbraw/zinc/11/38/34/570113834.db2.gz DGCDFIKOEDKFJD-SFHVURJKSA-N 0 0 488.979 4.583 40 0 JJABRN CCCCN1C(=O)S/C(=C\c2cc(I)c(OCC)c(OCC)c2)C1=O ZINC000409060383 570113845 /nfs/dbraw/zinc/11/38/45/570113845.db2.gz RJFKWJNBMSHXHU-PTNGSMBKSA-N 0 0 475.348 4.925 40 0 JJABRN CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000409061225 570114336 /nfs/dbraw/zinc/11/43/36/570114336.db2.gz YDADOJFPJMHZEY-UHFFFAOYSA-N 0 0 478.405 4.574 40 0 JJABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000257222187 570114728 /nfs/dbraw/zinc/11/47/28/570114728.db2.gz DSHLTQKXCXRQJA-LJQANCHMSA-N 0 0 450.970 4.648 40 0 JJABRN NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000257223247 570115030 /nfs/dbraw/zinc/11/50/30/570115030.db2.gz DWNLENGRTZLSCG-UHFFFAOYSA-N 0 0 461.345 4.916 40 0 JJABRN COc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)ccc1OCc1ccccn1 ZINC000257223597 570115145 /nfs/dbraw/zinc/11/51/45/570115145.db2.gz DYBDOHKLUHYQQD-FQEVSTJZSA-N 0 0 472.541 4.747 40 0 JJABRN O=C(N1CCOC[C@H](Cc2cccc3occc32)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257224139 570115269 /nfs/dbraw/zinc/11/52/69/570115269.db2.gz FAMBGMJNWOSFMY-HXUWFJFHSA-N 0 0 451.538 4.629 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)Cc2ccccc2Cl)cc1 ZINC000409063771 570115518 /nfs/dbraw/zinc/11/55/18/570115518.db2.gz MZUBXKJKJOPKRP-IBGZPJMESA-N 0 0 456.995 4.717 40 0 JJABRN CCn1cc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)on2)cn1 ZINC000257225349 570115718 /nfs/dbraw/zinc/11/57/18/570115718.db2.gz FFVHRSHHJOHNQY-QGZVFWFLSA-N 0 0 465.941 4.810 40 0 JJABRN CC(=O)N1CCN(Cc2ccccc2OCc2ccccn2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225985 570115800 /nfs/dbraw/zinc/11/58/00/570115800.db2.gz FIRJNMRVSOPJRX-HHHXNRCGSA-N 0 0 459.590 4.853 40 0 JJABRN COc1cccc(C(=O)N2CCC[C@H](Cc3nccn4cccc34)CC2)c1OCc1ccccn1 ZINC000257225771 570115842 /nfs/dbraw/zinc/11/58/42/570115842.db2.gz FHSMZHXOBIRVGJ-NRFANRHFSA-N 0 0 470.573 4.802 40 0 JJABRN COc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)c1OCc1ccccn1 ZINC000257226063 570116003 /nfs/dbraw/zinc/11/60/03/570116003.db2.gz FIZKWTPWSBJWNL-FQEVSTJZSA-N 0 0 472.541 4.747 40 0 JJABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257226626 570116139 /nfs/dbraw/zinc/11/61/39/570116139.db2.gz FLKUNLNKVLXDAD-NRFANRHFSA-N 0 0 474.536 4.550 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CC[C@H]3[C@@H]2CCCC(=O)N3Cc2ccccc2)c1 ZINC000257227286 570116312 /nfs/dbraw/zinc/11/63/12/570116312.db2.gz FONFDDWMXMMEQU-DQEYMECFSA-N 0 0 470.573 4.630 40 0 JJABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000409066122 570116408 /nfs/dbraw/zinc/11/64/08/570116408.db2.gz APNLVEUTYZAMOQ-MDBUFAAASA-N 0 0 461.923 4.525 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000409067072 570116800 /nfs/dbraw/zinc/11/68/00/570116800.db2.gz OZSOPIUNYPNIFX-ONDHQXCVSA-N 0 0 475.950 4.916 40 0 JJABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409067138 570116924 /nfs/dbraw/zinc/11/69/24/570116924.db2.gz NXPLMPVYSIFGLI-VRCTWVPOSA-N 0 0 452.507 4.735 40 0 JJABRN CC(C)CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257231200 570117380 /nfs/dbraw/zinc/11/73/80/570117380.db2.gz GFSQIOZBTFVPSI-XMMPIXPASA-N 0 0 452.570 4.606 40 0 JJABRN CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257231199 570117390 /nfs/dbraw/zinc/11/73/90/570117390.db2.gz GFSQIOZBTFVPSI-DEOSSOPVSA-N 0 0 452.570 4.606 40 0 JJABRN COc1cccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)c3ccc(-n4cccn4)nc3)n2)c1 ZINC000257231960 570117649 /nfs/dbraw/zinc/11/76/49/570117649.db2.gz GIVJSDYNZGPUNA-JOCHJYFZSA-N 0 0 470.533 4.534 40 0 JJABRN COc1cc(C(=O)N2CCC[C@@H](Cc3cccn4nccc34)CC2)ccc1OCc1ccccn1 ZINC000257232785 570117787 /nfs/dbraw/zinc/11/77/87/570117787.db2.gz GMKBHEZNCGZZPO-OAQYLSRUSA-N 0 0 470.573 4.802 40 0 JJABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000257233320 570118037 /nfs/dbraw/zinc/11/80/37/570118037.db2.gz 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ZINC000409134990 570141953 /nfs/dbraw/zinc/14/19/53/570141953.db2.gz PCESBLMXHPSNDH-CYBMUJFWSA-N 0 0 478.405 4.652 40 0 JJABRN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5cnccc54)C3)c2)n1 ZINC000257311256 570141942 /nfs/dbraw/zinc/14/19/42/570141942.db2.gz UIRXJVJHRYXKOO-NRFANRHFSA-N 0 0 467.573 4.717 40 0 JJABRN NC(=O)C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000257312042 570142086 /nfs/dbraw/zinc/14/20/86/570142086.db2.gz UMEQFQYMPULTNF-RUZDIDTESA-N 0 0 470.928 4.916 40 0 JJABRN O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cccnc2Cl)C1)N1CCCCC1 ZINC000257312362 570142301 /nfs/dbraw/zinc/14/23/01/570142301.db2.gz UNOSQZIJCXCTQA-RUZDIDTESA-N 0 0 473.976 4.578 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409136283 570142347 /nfs/dbraw/zinc/14/23/47/570142347.db2.gz SZNAPUSRGWXZCW-UHFFFAOYSA-N 0 0 488.993 4.971 40 0 JJABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1C ZINC000409136528 570142500 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467.573 4.706 40 0 JJABRN COCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000409139106 570143730 /nfs/dbraw/zinc/14/37/30/570143730.db2.gz MOTUORFZHJKSPQ-WOJGMQOQSA-N 0 0 466.328 4.850 40 0 JJABRN CN([C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257317581 570143844 /nfs/dbraw/zinc/14/38/44/570143844.db2.gz VKJPQTFGHQDNCU-DEOSSOPVSA-N 0 0 462.615 4.810 40 0 JJABRN NC(=O)C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000257318332 570143949 /nfs/dbraw/zinc/14/39/49/570143949.db2.gz VNLARIXLGVGJAI-OAQYLSRUSA-N 0 0 454.876 4.536 40 0 JJABRN CC(=O)N(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000257319124 570144183 /nfs/dbraw/zinc/14/41/83/570144183.db2.gz VQWOHRPMMGSUIX-VWLOTQADSA-N 0 0 464.581 4.841 40 0 JJABRN CC(=O)N(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000257319123 570144295 /nfs/dbraw/zinc/14/42/95/570144295.db2.gz VQWOHRPMMGSUIX-RUZDIDTESA-N 0 0 464.581 4.841 40 0 JJABRN 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ZINC000409189598 570161438 /nfs/dbraw/zinc/16/14/38/570161438.db2.gz REIKOLXYTNQYKE-OVCLIPMQSA-N 0 0 456.123 4.857 40 0 JJABRN COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1cccc2ccccc21 ZINC000409190144 570161587 /nfs/dbraw/zinc/16/15/87/570161587.db2.gz LJCZTZNHNRVXFX-VXLYETTFSA-N 0 0 467.319 4.712 40 0 JJABRN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C1=O ZINC000409190919 570161870 /nfs/dbraw/zinc/16/18/70/570161870.db2.gz BKXSQNDEUKGYAS-OVCLIPMQSA-N 0 0 456.123 4.857 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000409190742 570161905 /nfs/dbraw/zinc/16/19/05/570161905.db2.gz QITDNTKJTIUAHG-LZYBPNLTSA-N 0 0 465.731 4.603 40 0 JJABRN COc1cc(/C=C2\NC(=O)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000409191650 570162083 /nfs/dbraw/zinc/16/20/83/570162083.db2.gz KAUNSKDTQWMAHF-ODLFYWEKSA-N 0 0 467.319 4.712 40 0 JJABRN COC(=O)COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409192525 570162343 /nfs/dbraw/zinc/16/23/43/570162343.db2.gz DRYWOAOZNLAPGS-CXUHLZMHSA-N 0 0 482.739 4.895 40 0 JJABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409192483 570162378 /nfs/dbraw/zinc/16/23/78/570162378.db2.gz DDPRABIVPFAKMZ-XDHOZWIPSA-N 0 0 461.923 4.922 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409193469 570162732 /nfs/dbraw/zinc/16/27/32/570162732.db2.gz DJBRNUUDODOXSO-BUVRLJJBSA-N 0 0 499.567 4.813 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2O1 ZINC000260905873 570163105 /nfs/dbraw/zinc/16/31/05/570163105.db2.gz TUPFXFZBFPICPO-NZQKXSOJSA-N 0 0 470.635 4.595 40 0 JJABRN COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000409194386 570163123 /nfs/dbraw/zinc/16/31/23/570163123.db2.gz KOMRNAPCFFYCBP-FMCGGJTJSA-N 0 0 486.568 4.910 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409195160 570163360 /nfs/dbraw/zinc/16/33/60/570163360.db2.gz UETWJWJSFRGQMA-CXUHLZMHSA-N 0 0 465.731 4.603 40 0 JJABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000409198836 570164357 /nfs/dbraw/zinc/16/43/57/570164357.db2.gz FVNFZXBFRWIACN-LICLKQGHSA-N 0 0 468.872 4.553 40 0 JJABRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000260924476 570164559 /nfs/dbraw/zinc/16/45/59/570164559.db2.gz HZYBXOLLLHBZSI-IERDGZPVSA-N 0 0 454.995 4.826 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2ccccc2)cc1 ZINC000260928801 570164999 /nfs/dbraw/zinc/16/49/99/570164999.db2.gz KUUFQFBTXWXKEH-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN CC[C@@H](NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260939236 570165594 /nfs/dbraw/zinc/16/55/94/570165594.db2.gz QWYXFPWSNDLZMW-RPBOFIJWSA-N 0 0 456.652 4.994 40 0 JJABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260941124 570165596 /nfs/dbraw/zinc/16/55/96/570165596.db2.gz QZDORKXNRKYJEE-KSFYIVLOSA-N 0 0 479.042 4.649 40 0 JJABRN C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1)c1ccc2c(c1)CCC2 ZINC000260943048 570165772 /nfs/dbraw/zinc/16/57/72/570165772.db2.gz SWTCMMURNAXSTK-SSOJOUAXSA-N 0 0 497.016 4.662 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 ZINC000260947464 570165866 /nfs/dbraw/zinc/16/58/66/570165866.db2.gz VTHFIOQONFSOSK-HXUWFJFHSA-N 0 0 478.614 4.565 40 0 JJABRN COc1cccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000260945424 570165883 /nfs/dbraw/zinc/16/58/83/570165883.db2.gz UZIRZNGNIVTNKZ-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1C ZINC000260949360 570165940 /nfs/dbraw/zinc/16/59/40/570165940.db2.gz WXQVCLQOJLZGFD-CTNGQTDRSA-N 0 0 463.043 4.684 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260947489 570165971 /nfs/dbraw/zinc/16/59/71/570165971.db2.gz WBJRBNNVFHPTPF-UKILVPOCSA-N 0 0 454.636 4.542 40 0 JJABRN CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000260949514 570166075 /nfs/dbraw/zinc/16/60/75/570166075.db2.gz XLGRNEDLFAGKSN-UTKZUKDTSA-N 0 0 467.031 4.696 40 0 JJABRN CC[C@H](NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260951667 570166132 /nfs/dbraw/zinc/16/61/32/570166132.db2.gz YXXPZYMIRWHWDI-DQEYMECFSA-N 0 0 456.652 4.994 40 0 JJABRN CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c2ccccc21 ZINC000409204589 570166831 /nfs/dbraw/zinc/16/68/31/570166831.db2.gz ASVNEAFORMRYGO-SSDVNMTOSA-N 0 0 477.542 4.668 40 0 JJABRN O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Br)c1 ZINC000261361568 570167191 /nfs/dbraw/zinc/16/71/91/570167191.db2.gz AAGFLXCSOKBEII-NRFANRHFSA-O 0 0 494.394 4.870 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OCC)c1 ZINC000261362060 570167387 /nfs/dbraw/zinc/16/73/87/570167387.db2.gz BZADDBYOGHLKLT-DEOSSOPVSA-O 0 0 465.599 4.731 40 0 JJABRN COc1ccc(-c2s/c(=N\S(=O)(=O)c3ccccc3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409207045 570167453 /nfs/dbraw/zinc/16/74/53/570167453.db2.gz ZKMMXWFCMYREPS-IZHYLOQSSA-N 0 0 466.584 4.727 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362528 570167693 /nfs/dbraw/zinc/16/76/93/570167693.db2.gz KENVCMIBIAZRBK-IBGZPJMESA-O 0 0 474.404 4.860 40 0 JJABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccccc2Cl)o1 ZINC000261363624 570168014 /nfs/dbraw/zinc/16/80/14/570168014.db2.gz ULBKDVRNPXOSFA-QFIPXVFZSA-O 0 0 465.942 4.685 40 0 JJABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000261363743 570168179 /nfs/dbraw/zinc/16/81/79/570168179.db2.gz HZHCIWWPQYFOPZ-HSZRJFAPSA-O 0 0 463.514 4.561 40 0 JJABRN CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccc(C)cc4)n[n+]32)ccc1O ZINC000261363980 570168228 /nfs/dbraw/zinc/16/82/28/570168228.db2.gz IWVOSPBHMLQRJJ-DEOSSOPVSA-O 0 0 473.578 4.814 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OCC ZINC000261364101 570168382 /nfs/dbraw/zinc/16/83/82/570168382.db2.gz JGDHQYYHFNLBHT-XMMPIXPASA-O 0 0 465.599 4.731 40 0 JJABRN CCCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000261364131 570168451 /nfs/dbraw/zinc/16/84/51/570168451.db2.gz JLNHDTLGSIMDKE-RUZDIDTESA-O 0 0 473.578 4.714 40 0 JJABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000261365260 570168849 /nfs/dbraw/zinc/16/88/49/570168849.db2.gz QZLPNXHXHOWPMD-AREMUKBSSA-O 0 0 485.589 4.741 40 0 JJABRN CCCCOc1ccccc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[n-]c(SCC)n[n+]21 ZINC000261365185 570168898 /nfs/dbraw/zinc/16/88/98/570168898.db2.gz QQWVORNKQNRZEP-XMMPIXPASA-O 0 0 465.599 4.731 40 0 JJABRN CCCCOc1ccccc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[n-]c(SCC)n[n+]21 ZINC000261365184 570168956 /nfs/dbraw/zinc/16/89/56/570168956.db2.gz QQWVORNKQNRZEP-DEOSSOPVSA-O 0 0 465.599 4.731 40 0 JJABRN CC[C@@H](SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(OC)cc1)C(=O)Nc1cc(C)on1 ZINC000261526979 570170451 /nfs/dbraw/zinc/17/04/51/570170451.db2.gz SQXMBCCQXQLYST-LSSXRZCCSA-N 0 0 476.558 4.886 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409217233 570173112 /nfs/dbraw/zinc/17/31/12/570173112.db2.gz OEGWIIUYLKPZSY-FYJGNVAPSA-N 0 0 473.522 4.793 40 0 JJABRN Cc1cccc(Cn2cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c3ccccc32)c1 ZINC000409218287 570173495 /nfs/dbraw/zinc/17/34/95/570173495.db2.gz ZYLUYFYZWFHGNB-ZVHZXABRSA-N 0 0 482.515 4.669 40 0 JJABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O ZINC000409222344 570174818 /nfs/dbraw/zinc/17/48/18/570174818.db2.gz WSZJLXVGVYCEBR-PJMHOZITSA-N 0 0 452.507 4.817 40 0 JJABRN CCOc1c(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cccc1OC ZINC000409223159 570175150 /nfs/dbraw/zinc/17/51/50/570175150.db2.gz HKJCQRCBBDWPQI-WOJGMQOQSA-N 0 0 476.348 4.776 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409223371 570175227 /nfs/dbraw/zinc/17/52/27/570175227.db2.gz ZFOCUVTWAXROIX-HAHDFKILSA-N 0 0 473.554 4.686 40 0 JJABRN Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1C ZINC000409224341 570175564 /nfs/dbraw/zinc/17/55/64/570175564.db2.gz KWHYISOCBKMSPV-GRSHGNNSSA-N 0 0 457.914 4.954 40 0 JJABRN COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Cl)c1O ZINC000409228011 570176474 /nfs/dbraw/zinc/17/64/74/570176474.db2.gz ZEWFLELXSQMFHF-PXNMLYILSA-N 0 0 482.739 4.736 40 0 JJABRN Cc1ccc(CNC(=O)c2nc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n3ccccc23)cc1 ZINC000306123923 570178006 /nfs/dbraw/zinc/17/80/06/570178006.db2.gz BANIGJCHOVOSCT-HSZRJFAPSA-N 0 0 452.558 4.593 40 0 JJABRN Cc1ccc(CNC(=O)c2nc(-c3cnc(NCc4ccccn4)s3)n3ccccc23)cc1 ZINC000306124432 570178088 /nfs/dbraw/zinc/17/80/88/570178088.db2.gz BPNWPHSZKVWZBO-UHFFFAOYSA-N 0 0 454.559 4.703 40 0 JJABRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)c1 ZINC000409233058 570178527 /nfs/dbraw/zinc/17/85/27/570178527.db2.gz 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CNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328972672 570180060 /nfs/dbraw/zinc/18/00/60/570180060.db2.gz DXQQCPNGOPZRKX-UHFFFAOYSA-N 0 0 457.225 4.573 40 0 JJABRN Clc1cc(I)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000328973108 570180191 /nfs/dbraw/zinc/18/01/91/570180191.db2.gz DYIMAUBKLPZXBH-UHFFFAOYSA-N 0 0 491.764 4.739 40 0 JJABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1OC(C)C ZINC000409237339 570180332 /nfs/dbraw/zinc/18/03/32/570180332.db2.gz IEKFCAGYMMNQOV-WOJGMQOQSA-N 0 0 460.939 4.811 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccncc2)n1 ZINC000328988982 570180609 /nfs/dbraw/zinc/18/06/09/570180609.db2.gz IHCSBNJLGKJWHD-GFCCVEGCSA-N 0 0 479.753 4.594 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2cccnc2)n1 ZINC000328997237 570180919 /nfs/dbraw/zinc/18/09/19/570180919.db2.gz JMYRAKFSIVZIIO-QGZVFWFLSA-N 0 0 451.880 5.383 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccccc3Br)nc(NC3CC3)n2)c1 ZINC000329003459 570181196 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40 0 JJABRN COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](CO)C(C)C)n1 ZINC000329041249 570182774 /nfs/dbraw/zinc/18/27/74/570182774.db2.gz SHDJGLIJXUXMNF-HXUWFJFHSA-N 0 0 476.499 5.092 40 0 JJABRN CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000409243027 570182834 /nfs/dbraw/zinc/18/28/34/570182834.db2.gz UOILLNGJWAJPOO-BGARDKSCSA-N 0 0 459.340 4.728 40 0 JJABRN CCOc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000409243153 570182883 /nfs/dbraw/zinc/18/28/83/570182883.db2.gz ZFUSWGOKAWTWIK-VCHYOVAHSA-N 0 0 459.340 4.648 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(Br)cc1 ZINC000409243396 570182959 /nfs/dbraw/zinc/18/29/59/570182959.db2.gz WCZNTNXQBZRSJW-UHFFFAOYSA-N 0 0 487.419 4.541 40 0 JJABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCCO)n1 ZINC000329049528 570183023 /nfs/dbraw/zinc/18/30/23/570183023.db2.gz UPHNYGFJEGPFJX-UHFFFAOYSA-N 0 0 486.416 4.751 40 0 JJABRN CCCN1C(=O)N/C(=C/c2cc(OCC)c(OCc3ccccc3)cc2Br)C1=O ZINC000409243706 570183064 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4.842 40 0 JJABRN COC(=O)COc1c(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cccc1OC ZINC000408527484 570186405 /nfs/dbraw/zinc/18/64/05/570186405.db2.gz DPMJXTFNJUGNOI-RQZCQDPDSA-N 0 0 482.341 4.790 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000409260000 570187352 /nfs/dbraw/zinc/18/73/52/570187352.db2.gz IZKQMVRTQSWYII-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409261799 570187689 /nfs/dbraw/zinc/18/76/89/570187689.db2.gz BLHMYPSHBGRLIN-UHFFFAOYSA-N 0 0 452.576 4.872 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1Cl ZINC000408531052 570187809 /nfs/dbraw/zinc/18/78/09/570187809.db2.gz LTPVIKFWHRTVAS-UHFFFAOYSA-N 0 0 486.977 4.508 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccccc1 ZINC000409268447 570188869 /nfs/dbraw/zinc/18/88/69/570188869.db2.gz ZVCMFCWTQPXNKR-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2OC)cc1 ZINC000409268808 570189005 /nfs/dbraw/zinc/18/90/05/570189005.db2.gz AUWAYGZNZQANNI-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408535109 570189775 /nfs/dbraw/zinc/18/97/75/570189775.db2.gz UQGGIBNQXLLBFU-IBGZPJMESA-N 0 0 477.413 4.864 40 0 JJABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000408535268 570189894 /nfs/dbraw/zinc/18/98/94/570189894.db2.gz VOAYMNCJZIOWAE-UHFFFAOYSA-N 0 0 470.616 4.850 40 0 JJABRN CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 ZINC000408541594 570191651 /nfs/dbraw/zinc/19/16/51/570191651.db2.gz DJHDGAUTOLNTFK-UHFFFAOYSA-N 0 0 461.385 4.804 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)c1 ZINC000408543555 570192068 /nfs/dbraw/zinc/19/20/68/570192068.db2.gz FFNNVUBZBBJWGO-UHFFFAOYSA-N 0 0 458.605 4.669 40 0 JJABRN Cc1ccccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408544722 570192487 /nfs/dbraw/zinc/19/24/87/570192487.db2.gz IZGOQUYZGYKFQB-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1C ZINC000408545102 570192674 /nfs/dbraw/zinc/19/26/74/570192674.db2.gz OVOSRIMXHJSQLE-MRXNPFEDSA-N 0 0 489.490 4.814 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000408545058 570192676 /nfs/dbraw/zinc/19/26/76/570192676.db2.gz OHUJRKGTCBMFEJ-UHFFFAOYSA-N 0 0 479.602 4.805 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2C)c(C)c1 ZINC000408545333 570192781 /nfs/dbraw/zinc/19/27/81/570192781.db2.gz KJUOPKVIWVUMMW-UHFFFAOYSA-N 0 0 481.593 4.514 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000408545679 570192967 /nfs/dbraw/zinc/19/29/67/570192967.db2.gz ZTAXFKMHISRHBA-UHFFFAOYSA-N 0 0 474.167 4.977 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1Cl ZINC000408545853 570193111 /nfs/dbraw/zinc/19/31/11/570193111.db2.gz ARISRGFIXTZOQT-UHFFFAOYSA-N 0 0 480.995 4.567 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC(C)C)ccc2C)c1C ZINC000408546042 570193228 /nfs/dbraw/zinc/19/32/28/570193228.db2.gz PQFYZHLDYUPGOF-UHFFFAOYSA-N 0 0 479.602 4.803 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)c1C ZINC000408546212 570193270 /nfs/dbraw/zinc/19/32/70/570193270.db2.gz CVJGNLDESGVLTR-UHFFFAOYSA-N 0 0 458.605 4.669 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408546525 570193330 /nfs/dbraw/zinc/19/33/30/570193330.db2.gz TZGAINIWNMHBFR-UHFFFAOYSA-N 0 0 487.581 4.694 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2C)cc1C ZINC000408547369 570193683 /nfs/dbraw/zinc/19/36/83/570193683.db2.gz IXRZPDJLYQDECJ-UHFFFAOYSA-N 0 0 458.605 4.669 40 0 JJABRN CC(C)OCCCNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000408549017 570194460 /nfs/dbraw/zinc/19/44/60/570194460.db2.gz VRTFAVGMHYYLJM-UHFFFAOYSA-N 0 0 482.602 4.606 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408550461 570194947 /nfs/dbraw/zinc/19/49/47/570194947.db2.gz CLKXFSNTVDFVCN-INIZCTEOSA-N 0 0 489.391 4.506 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3F)o2)C1=O)N1CCCC1 ZINC000408552804 570195638 /nfs/dbraw/zinc/19/56/38/570195638.db2.gz VNDKBDANWSAQKN-LICLKQGHSA-N 0 0 479.327 4.507 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3Cl)C2)c(C)c1 ZINC000408552656 570195641 /nfs/dbraw/zinc/19/56/41/570195641.db2.gz MNQDLWLLHFJQRE-INIZCTEOSA-N 0 0 455.407 4.958 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl ZINC000408553229 570195751 /nfs/dbraw/zinc/19/57/51/570195751.db2.gz PELQITIDLKKNLL-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000408555975 570197058 /nfs/dbraw/zinc/19/70/58/570197058.db2.gz BNCRRSTYRQIUFD-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000408555801 570197071 /nfs/dbraw/zinc/19/70/71/570197071.db2.gz GJVCHDKTUOLYIR-UHFFFAOYSA-N 0 0 464.587 4.591 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)c1ccccc1 ZINC000408556230 570197278 /nfs/dbraw/zinc/19/72/78/570197278.db2.gz HDXNUGURCMQDTN-UHFFFAOYSA-N 0 0 475.364 4.901 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556804 570197717 /nfs/dbraw/zinc/19/77/17/570197717.db2.gz JYNVDWDAZWDEAP-UHFFFAOYSA-N 0 0 452.866 4.680 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558381 570198918 /nfs/dbraw/zinc/19/89/18/570198918.db2.gz RCVYMUUBGOOMNH-UHFFFAOYSA-N 0 0 487.965 4.750 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1C ZINC000408558313 570198954 /nfs/dbraw/zinc/19/89/54/570198954.db2.gz QLTSVEWRMMCEDR-UHFFFAOYSA-N 0 0 452.576 4.586 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C)cc2)cc1 ZINC000409309752 570198949 /nfs/dbraw/zinc/19/89/49/570198949.db2.gz LZFNWGIVMHWDKH-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1F ZINC000408558673 570199222 /nfs/dbraw/zinc/19/92/22/570199222.db2.gz SNDNMKKIOTXLAK-UHFFFAOYSA-N 0 0 468.428 4.906 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558663 570199233 /nfs/dbraw/zinc/19/92/33/570199233.db2.gz SMCJOAXDEUFVOT-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)cc1 ZINC000408559087 570199370 /nfs/dbraw/zinc/19/93/70/570199370.db2.gz LBWBKLKYPXYCDA-HXUWFJFHSA-N 0 0 480.586 4.917 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)cc1 ZINC000408559082 570199392 /nfs/dbraw/zinc/19/93/92/570199392.db2.gz LBWBKLKYPXYCDA-FQEVSTJZSA-N 0 0 480.586 4.917 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408559346 570199697 /nfs/dbraw/zinc/19/96/97/570199697.db2.gz LRRCGRMUTZJBOM-GFCCVEGCSA-N 0 0 456.873 4.818 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl ZINC000408560699 570200616 /nfs/dbraw/zinc/20/06/16/570200616.db2.gz PLUYSXKILJZWGE-OAHLLOKOSA-N 0 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Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c(C)c1 ZINC000408561897 570201329 /nfs/dbraw/zinc/20/13/29/570201329.db2.gz WRELMXCNSLOMBT-QGZVFWFLSA-N 0 0 454.514 4.670 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000409322254 570201359 /nfs/dbraw/zinc/20/13/59/570201359.db2.gz JMBCHGXHCODDRC-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000408561888 570201367 /nfs/dbraw/zinc/20/13/67/570201367.db2.gz WOINPMNGVAZEHY-UHFFFAOYSA-N 0 0 490.931 4.797 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC000408561859 570201422 /nfs/dbraw/zinc/20/14/22/570201422.db2.gz WDKXQIDBXRFBOZ-CQSZACIVSA-N 0 0 490.931 4.797 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000409322608 570201459 /nfs/dbraw/zinc/20/14/59/570201459.db2.gz MCWFUDLALDJFRP-UHFFFAOYSA-N 0 0 480.586 4.541 40 0 JJABRN 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570205475 /nfs/dbraw/zinc/20/54/75/570205475.db2.gz DFKCUIMFGAVEDS-JOCHJYFZSA-N 0 0 485.584 4.624 40 0 JJABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408574876 570205534 /nfs/dbraw/zinc/20/55/34/570205534.db2.gz FGAAOPDVMBHUQD-KALHOTQMSA-N 0 0 497.664 4.932 40 0 JJABRN CCc1ccccc1N(CC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(C)cc1 ZINC000408575336 570205657 /nfs/dbraw/zinc/20/56/57/570205657.db2.gz JXBSZKDDASKQKL-UHFFFAOYSA-N 0 0 466.647 4.838 40 0 JJABRN COc1cccc(NC(=O)C(=O)Nn2c(C(=O)Nc3c(C)cccc3C)cc3cc(Cl)ccc32)c1 ZINC000408575733 570205755 /nfs/dbraw/zinc/20/57/55/570205755.db2.gz FONOFKOKERKWIC-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCc2ccccc2)cc1C ZINC000408576244 570205842 /nfs/dbraw/zinc/20/58/42/570205842.db2.gz FZVOLZVLKBCGQT-UHFFFAOYSA-N 0 0 488.975 4.593 40 0 JJABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000408576230 570205858 /nfs/dbraw/zinc/20/58/58/570205858.db2.gz 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QOEBJOIAYUEQLQ-UHFFFAOYSA-N 0 0 488.609 4.781 40 0 JJABRN Cc1ccccc1Cn1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)n1 ZINC000000918334 193968350 /nfs/dbraw/zinc/96/83/50/193968350.db2.gz FJCYEZWIBUQBRS-UHFFFAOYSA-N 0 0 466.423 4.814 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1 ZINC000000918567 193968879 /nfs/dbraw/zinc/96/88/79/193968879.db2.gz RVOUFMVMCOXTIS-UHFFFAOYSA-N 0 0 496.610 4.582 40 0 JJABRN O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccc(O)cc1 ZINC000000920114 193970585 /nfs/dbraw/zinc/97/05/85/193970585.db2.gz NKYIKNFOMSXISV-UHFFFAOYSA-N 0 0 463.437 4.718 40 0 JJABRN COc1ccc(NCc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 ZINC000000925375 193977216 /nfs/dbraw/zinc/97/72/16/193977216.db2.gz NAQDYMIHIGEMEZ-UHFFFAOYSA-N 0 0 489.601 4.936 40 0 JJABRN CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=O)CCn1nnc2ccccc21 ZINC000000929392 193981445 /nfs/dbraw/zinc/98/14/45/193981445.db2.gz QIYAEBUEYJBTEX-UHFFFAOYSA-N 0 0 487.560 4.818 40 0 JJABRN COc1ccc(CCNC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000933912 193984771 /nfs/dbraw/zinc/98/47/71/193984771.db2.gz NDKJDTUPZLTUNN-UHFFFAOYSA-N 0 0 491.613 4.566 40 0 JJABRN COc1ccc(NC(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)c(OC)c1 ZINC000001223982 194075610 /nfs/dbraw/zinc/07/56/10/194075610.db2.gz LWFPQGFVXWZOIL-UHFFFAOYSA-N 0 0 469.588 4.508 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 ZINC000001223948 194075663 /nfs/dbraw/zinc/07/56/63/194075663.db2.gz DBZVPJJERLYJEP-UHFFFAOYSA-N 0 0 479.949 4.500 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)cc2c1 ZINC000001224766 194076191 /nfs/dbraw/zinc/07/61/91/194076191.db2.gz RFGOUVZSWONVEU-RUZDIDTESA-N 0 0 470.577 4.571 40 0 JJABRN Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000001238179 194078435 /nfs/dbraw/zinc/07/84/35/194078435.db2.gz BXNWCWFRUSWTFJ-UHFFFAOYSA-N 0 0 455.543 4.672 40 0 JJABRN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1OC ZINC000001214657 194072295 /nfs/dbraw/zinc/07/22/95/194072295.db2.gz GXYUYUIGJVFVCE-XMLVGPMBSA-N 0 0 490.482 4.866 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2-c2ccc(OC)cc2)cc1 ZINC000001221481 194074182 /nfs/dbraw/zinc/07/41/82/194074182.db2.gz IQQFHHUSWBQAMN-UHFFFAOYSA-N 0 0 490.585 4.903 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 ZINC000001222574 194074780 /nfs/dbraw/zinc/07/47/80/194074780.db2.gz ZRSZTVZETQZQAA-UHFFFAOYSA-N 0 0 497.016 4.932 40 0 JJABRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc(C)c(N)c1 ZINC000001223000 194074966 /nfs/dbraw/zinc/07/49/66/194074966.db2.gz OOTZYMIVDKQTOQ-UHFFFAOYSA-N 0 0 451.548 4.855 40 0 JJABRN CCOc1ccc(NC(=O)c2sc(NC(=O)c3ccc(Cl)c(N)c3)c(C(=O)OC)c2C)cc1 ZINC000001223007 194075011 /nfs/dbraw/zinc/07/50/11/194075011.db2.gz ISFSRQAGBHRHBL-UHFFFAOYSA-N 0 0 487.965 4.982 40 0 JJABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)cc1 ZINC000001223741 194075355 /nfs/dbraw/zinc/07/53/55/194075355.db2.gz VKINMWIYGJRCQK-UHFFFAOYSA-N 0 0 458.543 4.632 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2)c(OC)c1 ZINC000001223780 194075507 /nfs/dbraw/zinc/07/55/07/194075507.db2.gz QGGSZHLZAPLRMP-UHFFFAOYSA-N 0 0 476.558 4.696 40 0 JJABRN COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1Cl ZINC000001267287 194081052 /nfs/dbraw/zinc/08/10/52/194081052.db2.gz JQEOBVVUMQTOBY-UHFFFAOYSA-N 0 0 465.966 4.826 40 0 JJABRN CCc1ccc(NC(=O)CSc2nnc3n(CC(=O)Nc4ccccc4C)c4ccccc4n23)cc1 ZINC000001325674 194086728 /nfs/dbraw/zinc/08/67/28/194086728.db2.gz JEEKCHBOAFDSAP-UHFFFAOYSA-N 0 0 498.612 4.924 40 0 JJABRN COc1ccc(CCNC(=O)CSc2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)cc1OC ZINC000001326259 194087152 /nfs/dbraw/zinc/08/71/52/194087152.db2.gz IVPFVTWRVBHGGT-CQSZACIVSA-N 0 0 471.648 4.593 40 0 JJABRN Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2ccccc2F)cc1 ZINC000001335218 194093995 /nfs/dbraw/zinc/09/39/95/194093995.db2.gz WHPHWBVPZFWFBN-UHFFFAOYSA-N 0 0 464.562 4.984 40 0 JJABRN COc1cc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1OC ZINC000001335695 194094442 /nfs/dbraw/zinc/09/44/42/194094442.db2.gz UOWYTSHTFXPOPT-UHFFFAOYSA-N 0 0 451.454 4.512 40 0 JJABRN COc1cc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1OC ZINC000001335705 194094508 /nfs/dbraw/zinc/09/45/08/194094508.db2.gz YFFOSYPCHPUAAU-UHFFFAOYSA-N 0 0 467.522 4.980 40 0 JJABRN COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1OC ZINC000001335787 194094723 /nfs/dbraw/zinc/09/47/23/194094723.db2.gz GKICTQJSWYPMJE-UHFFFAOYSA-N 0 0 478.936 4.828 40 0 JJABRN COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335895 194094755 /nfs/dbraw/zinc/09/47/55/194094755.db2.gz GBXRWDHFSVPTTK-UHFFFAOYSA-N 0 0 477.542 4.604 40 0 JJABRN O=C(Nc1ccccc1Cl)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001335836 194094784 /nfs/dbraw/zinc/09/47/84/194094784.db2.gz NCJPIDMUMJZZEI-UHFFFAOYSA-N 0 0 453.926 4.929 40 0 JJABRN Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=O)Nc2ccccc2)cc1 ZINC000001335909 194094930 /nfs/dbraw/zinc/09/49/30/194094930.db2.gz BKNUGUBCLKGZOV-UHFFFAOYSA-N 0 0 455.514 4.842 40 0 JJABRN COc1ccc(NC(=O)N(CCc2cccc(C)c2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001335934 194094979 /nfs/dbraw/zinc/09/49/79/194094979.db2.gz HRDVETJKXYBKOE-UHFFFAOYSA-N 0 0 499.567 4.893 40 0 JJABRN O=C(Nc1ccccc1Cl)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335969 194094994 /nfs/dbraw/zinc/09/49/94/194094994.db2.gz UJMCLTMAROBDTQ-UHFFFAOYSA-N 0 0 476.920 4.582 40 0 JJABRN Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2cc(C)cc(C)c2)o1 ZINC000001339201 194095875 /nfs/dbraw/zinc/09/58/75/194095875.db2.gz JMSSBZFTZICROM-HHHXNRCGSA-N 0 0 497.555 4.633 40 0 JJABRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccco2)c2cccs2)c1 ZINC000001339404 194096233 /nfs/dbraw/zinc/09/62/33/194096233.db2.gz LVSZHQZASKXRSV-SANMLTNESA-N 0 0 499.596 4.794 40 0 JJABRN C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)N5CCCCCC5)nnc4c23)C1 ZINC000001339694 194097011 /nfs/dbraw/zinc/09/70/11/194097011.db2.gz VXNNGUACCUODMK-AWEZNQCLSA-N 0 0 455.653 4.836 40 0 JJABRN COc1ccc(CNC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)C[C@@H](C)CC5)cc1 ZINC000001339700 194097014 /nfs/dbraw/zinc/09/70/14/194097014.db2.gz UHPNCNLJXJORHL-AWEZNQCLSA-N 0 0 493.658 4.758 40 0 JJABRN COc1ccc(C(=O)N(Cc2cccs2)Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000001339793 194097252 /nfs/dbraw/zinc/09/72/52/194097252.db2.gz VCGZIWWGYKKAIC-UHFFFAOYSA-N 0 0 465.600 4.776 40 0 JJABRN CCc1ccccc1NC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C ZINC000001340043 194097306 /nfs/dbraw/zinc/09/73/06/194097306.db2.gz ANQQDEJDEKMIIO-UHFFFAOYSA-N 0 0 464.620 4.844 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccccc1F ZINC000001340147 194097413 /nfs/dbraw/zinc/09/74/13/194097413.db2.gz KZVMFRQOPNSRFJ-UHFFFAOYSA-N 0 0 468.583 4.904 40 0 JJABRN Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000001340337 194097688 /nfs/dbraw/zinc/09/76/88/194097688.db2.gz CCYJXTNMRZETND-ROUUACIJSA-N 0 0 464.635 4.888 40 0 JJABRN Cc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000001340242 194097786 /nfs/dbraw/zinc/09/77/86/194097786.db2.gz VHUFBIVJBNXEOD-OALUTQOASA-N 0 0 450.608 4.865 40 0 JJABRN O=C(c1ccco1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000001341364 194098026 /nfs/dbraw/zinc/09/80/26/194098026.db2.gz DTSVZHFZCHBMAC-UHFFFAOYSA-N 0 0 467.504 4.758 40 0 JJABRN Cc1ccccc1NC(=O)CN1c2cc(C(=O)Nc3ccccc3C)ccc2OC(C)(C)C1=O ZINC000001342448 194098616 /nfs/dbraw/zinc/09/86/16/194098616.db2.gz MOAYSCUOPQBYPN-UHFFFAOYSA-N 0 0 457.530 4.698 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(NC(=O)c3ccc(C)cc3)c2)nnc1-c1ccncc1 ZINC000001342434 194098684 /nfs/dbraw/zinc/09/86/84/194098684.db2.gz JRLKVXDYFMNKOE-UHFFFAOYSA-N 0 0 472.574 4.652 40 0 JJABRN COc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001346637 194099028 /nfs/dbraw/zinc/09/90/28/194099028.db2.gz QUYRGXZDDTVTBG-UHFFFAOYSA-N 0 0 459.453 4.574 40 0 JJABRN COc1cccc(-c2csc(N3CCN(CC(=O)Nc4c(C)cc(C)cc4C)CC3)n2)c1 ZINC000001349795 194099329 /nfs/dbraw/zinc/09/93/29/194099329.db2.gz VSQMGGMJOFGWMC-UHFFFAOYSA-N 0 0 450.608 4.505 40 0 JJABRN COc1ccccc1CN(C(=O)c1cnccn1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1C ZINC000001332094 194090433 /nfs/dbraw/zinc/09/04/33/194090433.db2.gz TUDNBNHGTOOMRX-SANMLTNESA-N 0 0 484.531 4.955 40 0 JJABRN O=C(Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1cnccn1 ZINC000001332000 194090506 /nfs/dbraw/zinc/09/05/06/194090506.db2.gz MYBZEAPYDSZQPU-DEOSSOPVSA-N 0 0 476.458 4.916 40 0 JJABRN COc1ccccc1CN(C(=O)c1cnccn1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000001332184 194090774 /nfs/dbraw/zinc/09/07/74/194090774.db2.gz KJMDZHXFIDVKMX-VWLOTQADSA-N 0 0 488.494 4.786 40 0 JJABRN O=C(CSc1nc(C2CC2)nc2sc3c(c21)CCCC3)Nc1ccc2c(c1)OCCO2 ZINC000001332746 194091352 /nfs/dbraw/zinc/09/13/52/194091352.db2.gz ASCHDBBXSKOXGR-UHFFFAOYSA-N 0 0 453.589 4.950 40 0 JJABRN COc1ccccc1NC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000001353264 194099883 /nfs/dbraw/zinc/09/98/83/194099883.db2.gz PXZKRUUQLYCEOK-UHFFFAOYSA-N 0 0 471.513 4.808 40 0 JJABRN COc1ccc([C@@H](C(=O)Nc2ccc(F)cc2)N(Cc2ccc(C)cc2)C(=O)c2cnccn2)cc1 ZINC000001333143 194091577 /nfs/dbraw/zinc/09/15/77/194091577.db2.gz LSPRHGPLVLGNNL-SANMLTNESA-N 0 0 484.531 4.955 40 0 JJABRN COc1ccc(CN(C(=O)c2cnccn2)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000001333198 194091849 /nfs/dbraw/zinc/09/18/49/194091849.db2.gz BFAWYJXSVHKLAL-VWLOTQADSA-N 0 0 470.504 4.647 40 0 JJABRN CC[C@@H](C)N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1 ZINC000001333592 194092209 /nfs/dbraw/zinc/09/22/09/194092209.db2.gz PGDPKPHJJQYCML-WXTAPIANSA-N 0 0 489.551 4.586 40 0 JJABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001333806 194092669 /nfs/dbraw/zinc/09/26/69/194092669.db2.gz BKKLVBOYPWBWQV-RUZDIDTESA-N 0 0 480.561 4.992 40 0 JJABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000001333811 194092715 /nfs/dbraw/zinc/09/27/15/194092715.db2.gz YLTKUJXDYMQYDT-RUZDIDTESA-N 0 0 480.561 4.992 40 0 JJABRN O=C(Cc1cccs1)N(c1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000001333810 194092758 /nfs/dbraw/zinc/09/27/58/194092758.db2.gz YLTKUJXDYMQYDT-VWLOTQADSA-N 0 0 480.561 4.992 40 0 JJABRN O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000001365674 194103872 /nfs/dbraw/zinc/10/38/72/194103872.db2.gz RYYUDSCCWWZOPU-IBGZPJMESA-N 0 0 453.892 4.816 40 0 JJABRN CCOc1ccccc1C(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001366816 194104354 /nfs/dbraw/zinc/10/43/54/194104354.db2.gz VMMHPQGUSUKAPR-UHFFFAOYSA-N 0 0 472.541 4.787 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000001372575 194106398 /nfs/dbraw/zinc/10/63/98/194106398.db2.gz NYNUQOQHFAVAKS-GDLZYMKVSA-N 0 0 489.579 4.831 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375433 194110174 /nfs/dbraw/zinc/11/01/74/194110174.db2.gz PRWBXAUWZVKXSL-RUZDIDTESA-N 0 0 482.588 4.926 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc3c4c(-c5ccc(F)cc5)csc4ncn23)cc1 ZINC000001373429 194107380 /nfs/dbraw/zinc/10/73/80/194107380.db2.gz XXBFZORTOUHTQU-UHFFFAOYSA-N 0 0 465.535 4.885 40 0 JJABRN Cc1ccc(CN(Cc2nnnn2CCc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000001373363 194107392 /nfs/dbraw/zinc/10/73/92/194107392.db2.gz JRTSDLHMTYUNOB-UHFFFAOYSA-N 0 0 478.600 4.577 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374095 194108159 /nfs/dbraw/zinc/10/81/59/194108159.db2.gz AWDAIBFAYTVESV-XMMPIXPASA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374094 194108242 /nfs/dbraw/zinc/10/82/42/194108242.db2.gz AWDAIBFAYTVESV-DEOSSOPVSA-N 0 0 474.609 4.740 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374115 194108289 /nfs/dbraw/zinc/10/82/89/194108289.db2.gz HRKFRAXABJDSFK-XMMPIXPASA-N 0 0 458.610 4.774 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)C)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374114 194108334 /nfs/dbraw/zinc/10/83/34/194108334.db2.gz HRKFRAXABJDSFK-DEOSSOPVSA-N 0 0 458.610 4.774 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374081 194108357 /nfs/dbraw/zinc/10/83/57/194108357.db2.gz VCCKEYJGWVQUON-XMMPIXPASA-N 0 0 488.617 4.933 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)CC)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374399 194108537 /nfs/dbraw/zinc/10/85/37/194108537.db2.gz PGMQTVVDJSXYAW-RUZDIDTESA-N 0 0 488.636 4.864 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](c2ccncc2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000001354109 194100710 /nfs/dbraw/zinc/10/07/10/194100710.db2.gz CQUJUSIHRXMUCO-AREMUKBSSA-N 0 0 489.572 4.924 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2F)cc1 ZINC000001354085 194100724 /nfs/dbraw/zinc/10/07/24/194100724.db2.gz YLEPIWILCWEPCI-SANMLTNESA-N 0 0 489.572 4.924 40 0 JJABRN O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000001355694 194101110 /nfs/dbraw/zinc/10/11/10/194101110.db2.gz PRJYUWMHDNNUEO-UHFFFAOYSA-N 0 0 491.038 4.682 40 0 JJABRN COc1ccc(C(=O)N(CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000001359269 194101849 /nfs/dbraw/zinc/10/18/49/194101849.db2.gz HUUOEEFEINOEBH-UHFFFAOYSA-N 0 0 456.542 4.739 40 0 JJABRN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Br)C3)n2)cc1OC ZINC000001363107 194102733 /nfs/dbraw/zinc/10/27/33/194102733.db2.gz UFVUBNQRWRRYJD-OAHLLOKOSA-N 0 0 472.339 4.536 40 0 JJABRN Cc1nc(C)c(C(=O)N(c2ccccc2F)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)s1 ZINC000001364977 194103144 /nfs/dbraw/zinc/10/31/44/194103144.db2.gz RRKZDJWCBDRBDE-KNQAVFIVSA-N 0 0 467.566 4.582 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccco2)c2ccccc2C)c1 ZINC000001376253 194110962 /nfs/dbraw/zinc/11/09/62/194110962.db2.gz FABJGWNXTUWDIF-NDEPHWFRSA-N 0 0 493.567 4.732 40 0 JJABRN Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccco2)c2ccccc2)c1 ZINC000001376394 194111346 /nfs/dbraw/zinc/11/13/46/194111346.db2.gz 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ZINC000072242805 523277322 /nfs/dbraw/zinc/27/73/22/523277322.db2.gz YZJMSRYXIQIWBQ-IBGZPJMESA-N 0 0 460.534 4.532 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccc(C)cc2)cc1 ZINC000016788832 523321719 /nfs/dbraw/zinc/32/17/19/523321719.db2.gz ISISLEXJIKEKCK-UHFFFAOYSA-N 0 0 488.569 4.753 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000027914396 523506808 /nfs/dbraw/zinc/50/68/08/523506808.db2.gz XETCKUUVUMICIK-UHFFFAOYSA-N 0 0 454.317 4.581 40 0 JJABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccc4ccccc4c3)c2=O)cc1 ZINC000004237083 523674965 /nfs/dbraw/zinc/67/49/65/523674965.db2.gz BPZAQXLXDFZVEX-YADARESESA-N 0 0 450.538 4.937 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Br ZINC000020152952 523681924 /nfs/dbraw/zinc/68/19/24/523681924.db2.gz VHGTXBXVVVUUJR-UHFFFAOYSA-N 0 0 475.364 4.645 40 0 JJABRN COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000022537916 523735110 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IHXJWVICCLCYBM-DNQXCXABSA-N 0 0 454.567 4.585 40 0 JJABRN CN(C(=O)CSC1=N[C@@H]2[C@H](N=N1)c1cc(Br)ccc1N2C)C1CCCCC1 ZINC000013150630 523836867 /nfs/dbraw/zinc/83/68/67/523836867.db2.gz LYJGAMSVLQTNAC-MSOLQXFVSA-N 0 0 450.406 4.612 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000020007049 523850620 /nfs/dbraw/zinc/85/06/20/523850620.db2.gz NQDVPXCZCUZOLB-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(C2c3cc(OC(C)=O)c(OC)cc3Oc3cc(OC)c(OC(C)=O)cc32)cc1 ZINC000005464493 523884082 /nfs/dbraw/zinc/88/40/82/523884082.db2.gz OOGQZYMOVIRFPQ-UHFFFAOYSA-N 0 0 464.470 4.849 40 0 JJABRN COC(=O)[C@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O ZINC000004758105 523892744 /nfs/dbraw/zinc/89/27/44/523892744.db2.gz KUKPNGPOZNZSKC-YBFHOXKESA-N 0 0 488.621 4.561 40 0 JJABRN CC[C@H](C)N(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)C)c1ccccc1Cl ZINC000012491826 523907880 /nfs/dbraw/zinc/90/78/80/523907880.db2.gz WZQVCOGTAJNRDD-NYHFZMIOSA-N 0 0 477.005 4.638 40 0 JJABRN COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020460711 523937421 /nfs/dbraw/zinc/93/74/21/523937421.db2.gz UFZKDELFURWBGO-UHFFFAOYSA-N 0 0 458.967 4.512 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC ZINC000013685643 523971255 /nfs/dbraw/zinc/97/12/55/523971255.db2.gz XFUPHUNMLAMLOL-KRWDZBQOSA-N 0 0 482.964 4.736 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1OC ZINC000020483177 523999636 /nfs/dbraw/zinc/99/96/36/523999636.db2.gz SILJFGSQRYNXDV-UHFFFAOYSA-N 0 0 482.602 4.702 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1OC ZINC000020486084 523999742 /nfs/dbraw/zinc/99/97/42/523999742.db2.gz LXVRVYVDRYUUKH-UHFFFAOYSA-N 0 0 482.602 4.702 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1OC ZINC000020044923 523999772 /nfs/dbraw/zinc/99/97/72/523999772.db2.gz MMLXEIUBIRFNJF-UHFFFAOYSA-N 0 0 482.602 4.702 40 0 JJABRN CCc1ccc(OCC(=O)N[C@@H](NC(=S)Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 ZINC000035021501 524004187 /nfs/dbraw/zinc/00/41/87/524004187.db2.gz BGKHWDONBSJMKD-SFHVURJKSA-N 0 0 474.841 4.735 40 0 JJABRN CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000020109209 524057880 /nfs/dbraw/zinc/05/78/80/524057880.db2.gz MWSHKCOXZRULNX-UHFFFAOYSA-N 0 0 483.012 4.500 40 0 JJABRN COc1cccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cccc(C)c3C)CC2)c1OC ZINC000013503823 524105144 /nfs/dbraw/zinc/10/51/44/524105144.db2.gz IZCNBNLFBSMDNE-SANMLTNESA-N 0 0 490.652 4.724 40 0 JJABRN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000027529491 524144141 /nfs/dbraw/zinc/14/41/41/524144141.db2.gz HSTMGABXHZKBBK-MTIDIVMFSA-N 0 0 478.680 4.554 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677586 524220375 /nfs/dbraw/zinc/22/03/75/524220375.db2.gz ZQGOUOTUEGAGDU-UHFFFAOYSA-N 0 0 491.824 4.836 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000020017471 524248808 /nfs/dbraw/zinc/24/88/08/524248808.db2.gz SFXCBJZKUNOBHI-LBPRGKRZSA-N 0 0 494.894 4.546 40 0 JJABRN Cc1cccc(C)c1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 ZINC000012490498 524264057 /nfs/dbraw/zinc/26/40/57/524264057.db2.gz VZSDMIWTCDGPMA-DEOSSOPVSA-N 0 0 477.630 4.784 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000020013587 524313898 /nfs/dbraw/zinc/31/38/98/524313898.db2.gz YDRFYTVFJSWMHO-UHFFFAOYSA-N 0 0 489.012 4.912 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)c(C)c1 ZINC000022540104 524316423 /nfs/dbraw/zinc/31/64/23/524316423.db2.gz TVGYUUZWKRWNLQ-XZOQPEGZSA-N 0 0 456.652 4.815 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 ZINC000020004866 524322316 /nfs/dbraw/zinc/32/23/16/524322316.db2.gz HEXMURVUKPKKMT-OZXSUGGESA-N 0 0 478.658 4.639 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1C ZINC000022539938 524329934 /nfs/dbraw/zinc/32/99/34/524329934.db2.gz YWRGMPFGNPOZCN-MOPGFXCFSA-N 0 0 493.467 4.652 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1C ZINC000022605981 524329989 /nfs/dbraw/zinc/32/99/89/524329989.db2.gz TXBKUFPLFAHDIP-OAQYLSRUSA-N 0 0 498.620 4.973 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000022537006 524333268 /nfs/dbraw/zinc/33/32/68/524333268.db2.gz ZZKLLNOXPPYPNX-IBGZPJMESA-N 0 0 470.566 4.808 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022539696 524334076 /nfs/dbraw/zinc/33/40/76/524334076.db2.gz ZLAKDRSBFRLPJS-NBGIEHNGSA-N 0 0 468.594 4.518 40 0 JJABRN COc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013502266 524339504 /nfs/dbraw/zinc/33/95/04/524339504.db2.gz AXNCSKKQWRCGLF-SANMLTNESA-N 0 0 473.573 4.936 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCc4ccccc43)cc2c1 ZINC000006193436 524340778 /nfs/dbraw/zinc/34/07/78/524340778.db2.gz CEECVCSQWMWOPP-HHHXNRCGSA-N 0 0 494.574 4.861 40 0 JJABRN Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000020484177 524351301 /nfs/dbraw/zinc/35/13/01/524351301.db2.gz UYDWUQLJSQJHRY-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN COc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022429024 524362571 /nfs/dbraw/zinc/36/25/71/524362571.db2.gz UZNRVTIDVGNMOY-XMMPIXPASA-N 0 0 496.629 4.803 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428601 524364057 /nfs/dbraw/zinc/36/40/57/524364057.db2.gz PLQQIWIVPXJGDT-UHFFFAOYSA-N 0 0 487.419 4.611 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000044899799 524378207 /nfs/dbraw/zinc/37/82/07/524378207.db2.gz LLHUHEREXHVASM-FQEVSTJZSA-N 0 0 452.576 4.600 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)c(F)c2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011752 524403015 /nfs/dbraw/zinc/40/30/15/524403015.db2.gz OOJGMHYTGWCDFB-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022535774 524404407 /nfs/dbraw/zinc/40/44/07/524404407.db2.gz BRMHVNVZTGWFPK-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020462462 524428564 /nfs/dbraw/zinc/42/85/64/524428564.db2.gz AVCPZTAKIBYDNB-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN Cc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022713521 524502929 /nfs/dbraw/zinc/50/29/29/524502929.db2.gz KYVUHDGJOUZWOZ-UHFFFAOYSA-N 0 0 477.413 4.809 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020450610 524529280 /nfs/dbraw/zinc/52/92/80/524529280.db2.gz LUORIGLLOVJVEX-QHCPKHFHSA-N 0 0 466.603 4.794 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000020448607 524639761 /nfs/dbraw/zinc/63/97/61/524639761.db2.gz QICIELKRMUEARU-OAHLLOKOSA-N 0 0 486.977 4.749 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1C ZINC000020456294 524690393 /nfs/dbraw/zinc/69/03/93/524690393.db2.gz TXBLYMYVKIDRNV-UHFFFAOYSA-N 0 0 477.586 4.792 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536915 524692193 /nfs/dbraw/zinc/69/21/93/524692193.db2.gz MPANQTOGEKKFHV-NRFANRHFSA-N 0 0 466.603 4.977 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000022537533 524694008 /nfs/dbraw/zinc/69/40/08/524694008.db2.gz YBWRNIHGWAKATQ-OAHLLOKOSA-N 0 0 492.956 4.545 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 ZINC000013506136 524875666 /nfs/dbraw/zinc/87/56/66/524875666.db2.gz ADRZBJKDIBKSCH-DEOSSOPVSA-N 0 0 495.670 4.990 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022429336 524888233 /nfs/dbraw/zinc/88/82/33/524888233.db2.gz UNOLICBZGREDBV-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c1 ZINC000013502189 524902257 /nfs/dbraw/zinc/90/22/57/524902257.db2.gz NRTGVLZLXDKIFN-RUZDIDTESA-N 0 0 477.561 4.524 40 0 JJABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020023930 524938182 /nfs/dbraw/zinc/93/81/82/524938182.db2.gz AYSCRAYTOUEEGR-IBGZPJMESA-N 0 0 471.022 4.671 40 0 JJABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000022537629 524939719 /nfs/dbraw/zinc/93/97/19/524939719.db2.gz JDIIYFJTXYRHCP-OALUTQOASA-N 0 0 454.567 4.675 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013668696 524946471 /nfs/dbraw/zinc/94/64/71/524946471.db2.gz OQTOMDKSTBSHSE-AWEZNQCLSA-N 0 0 457.423 4.934 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCCCOC(C)C)cc3c2)cc1C ZINC000020448067 525005720 /nfs/dbraw/zinc/00/57/20/525005720.db2.gz FLEZAGXVCUSIAU-UHFFFAOYSA-N 0 0 490.647 4.588 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)(C)C)cc3c2)cc1Cl ZINC000020448110 525006119 /nfs/dbraw/zinc/00/61/19/525006119.db2.gz RSSVDBDXUBMFPW-UHFFFAOYSA-N 0 0 467.012 4.917 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(Cl)cc2)cc1 ZINC000013671632 525010767 /nfs/dbraw/zinc/01/07/67/525010767.db2.gz ADWAQSBTOZFTGA-QGZVFWFLSA-N 0 0 470.978 4.522 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2)cc1 ZINC000022535639 525011146 /nfs/dbraw/zinc/01/11/46/525011146.db2.gz KCLPYWTXSPIBSZ-JOCHJYFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)C2CCCCC2)cc1Cl ZINC000022536234 525011482 /nfs/dbraw/zinc/01/14/82/525011482.db2.gz KRHDNLFLPUFZSK-INIZCTEOSA-N 0 0 483.005 4.689 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000020451060 525012101 /nfs/dbraw/zinc/01/21/01/525012101.db2.gz OBWHVPXPTVYTMP-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000013646012 525025567 /nfs/dbraw/zinc/02/55/67/525025567.db2.gz AYMMKLXVZSITBP-GOSISDBHSA-N 0 0 458.624 4.658 40 0 JJABRN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000016312911 525033649 /nfs/dbraw/zinc/03/36/49/525033649.db2.gz VKSBBBGVILRSOR-UHFFFAOYSA-N 0 0 471.962 4.943 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000020006184 525070745 /nfs/dbraw/zinc/07/07/45/525070745.db2.gz UUIHZKGVOBEYSH-FQEVSTJZSA-N 0 0 479.385 4.530 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000020006265 525074978 /nfs/dbraw/zinc/07/49/78/525074978.db2.gz IGWORNCAEQTAAC-HXUWFJFHSA-N 0 0 497.375 4.669 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000020006187 525076210 /nfs/dbraw/zinc/07/62/10/525076210.db2.gz UUIHZKGVOBEYSH-HXUWFJFHSA-N 0 0 479.385 4.530 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)c(C)c1 ZINC000033255021 525086699 /nfs/dbraw/zinc/08/66/99/525086699.db2.gz SNVYNVUGCVJPKL-UHFFFAOYSA-N 0 0 483.597 4.635 40 0 JJABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1)c1ccc(F)cc1 ZINC000022537633 525091960 /nfs/dbraw/zinc/09/19/60/525091960.db2.gz JDIIYFJTXYRHCP-RTBURBONSA-N 0 0 454.567 4.675 40 0 JJABRN C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535527 525100499 /nfs/dbraw/zinc/10/04/99/525100499.db2.gz FVZCOQGYOFPBDZ-GOSISDBHSA-N 0 0 474.985 4.590 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000022537043 525118965 /nfs/dbraw/zinc/11/89/65/525118965.db2.gz PMGYZOCEZJWJTD-OAHLLOKOSA-N 0 0 496.482 4.902 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@@H](C(=O)NC(C)(C)C)c2ccccc2Cl)no1 ZINC000012491841 525121379 /nfs/dbraw/zinc/12/13/79/525121379.db2.gz YIAPNMFRSKUYID-HSZRJFAPSA-N 0 0 491.032 4.886 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022430428 525133224 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OBASREJBNWHKDB-UHFFFAOYSA-N 0 0 490.614 4.836 40 0 JJABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 ZINC000044840097 525173284 /nfs/dbraw/zinc/17/32/84/525173284.db2.gz AGHNXARIXDPSBT-HOCLYGCPSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000020456204 525173528 /nfs/dbraw/zinc/17/35/28/525173528.db2.gz IJFONEQQLDACEV-XMMPIXPASA-N 0 0 493.069 4.794 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000020491806 525173792 /nfs/dbraw/zinc/17/37/92/525173792.db2.gz JYVYDBJEKWTZEO-HXUWFJFHSA-N 0 0 473.422 4.672 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000020493035 525175756 /nfs/dbraw/zinc/17/57/56/525175756.db2.gz QZEHXPKSLCPHGR-LAUBAEHRSA-N 0 0 467.031 4.715 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000013506427 525213246 /nfs/dbraw/zinc/21/32/46/525213246.db2.gz HHBZOWNPEPPZDK-DEOSSOPVSA-N 0 0 479.602 4.603 40 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COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496328 525380256 /nfs/dbraw/zinc/38/02/56/525380256.db2.gz BVNQMQZTPJEZAA-XMMPIXPASA-N 0 0 489.649 4.708 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000020022124 525397409 /nfs/dbraw/zinc/39/74/09/525397409.db2.gz OVFYQBPMBDWCDL-VWLOTQADSA-N 0 0 490.625 4.709 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1cccc(F)c1 ZINC000013506199 525399232 /nfs/dbraw/zinc/39/92/32/525399232.db2.gz SAIYOCBAJYKKIX-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000036127210 525427168 /nfs/dbraw/zinc/42/71/68/525427168.db2.gz BQVKDMSQMFEOQC-FDDCHVKYSA-N 0 0 456.995 4.709 40 0 JJABRN COc1ccc([C@H]2S/C(=C\c3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000005845410 525432513 /nfs/dbraw/zinc/43/25/13/525432513.db2.gz IXMBTSQVXBHARS-MZANGIHLSA-N 0 0 490.581 4.601 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccccc2Cl)cc1 ZINC000022430781 525504654 /nfs/dbraw/zinc/50/46/54/525504654.db2.gz SUUXBKSAFHYKTG-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cc(C)ccc2C)cc1 ZINC000022430459 525509611 /nfs/dbraw/zinc/50/96/11/525509611.db2.gz HWBMTUIMOCNUDY-UHFFFAOYSA-N 0 0 491.613 4.573 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2cc(C)cc(C)c2)cc1 ZINC000020456737 525509720 /nfs/dbraw/zinc/50/97/20/525509720.db2.gz VBSIDHJKONRZTA-UHFFFAOYSA-N 0 0 491.613 4.573 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccccc2)cc1 ZINC000020368035 525509777 /nfs/dbraw/zinc/50/97/77/525509777.db2.gz RXLCBETUEVAOOP-UHFFFAOYSA-N 0 0 473.392 4.587 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582723 525527858 /nfs/dbraw/zinc/52/78/58/525527858.db2.gz JVGIAJOVJIQSGD-UHFFFAOYSA-N 0 0 488.660 4.566 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)c4ccccc4)n3C)cc2)cc1 ZINC000006088904 525593875 /nfs/dbraw/zinc/59/38/75/525593875.db2.gz XRGUFKDZVSZASE-UHFFFAOYSA-N 0 0 478.599 4.566 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2Cl)cc1 ZINC000022513265 525597971 /nfs/dbraw/zinc/59/79/71/525597971.db2.gz QEJQMMZDPODMJP-UHFFFAOYSA-N 0 0 484.021 4.632 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)c(F)c2)o1 ZINC000013506034 525675939 /nfs/dbraw/zinc/67/59/39/525675939.db2.gz HLLMXLCOEHOZBS-DEOSSOPVSA-N 0 0 497.592 4.660 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1 ZINC000013506242 525676838 /nfs/dbraw/zinc/67/68/38/525676838.db2.gz LWDJPZHIHPUKHV-VWLOTQADSA-N 0 0 475.614 4.620 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501912 525678830 /nfs/dbraw/zinc/67/88/30/525678830.db2.gz IPSBUYRKFGDZMH-DEOSSOPVSA-N 0 0 496.633 4.696 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000038754390 525711249 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RKYUGJZUDXDLHR-LJQANCHMSA-N 0 0 466.628 4.890 40 0 JJABRN C[C@H](C(=O)NCc1cc(F)cc(F)c1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466429 526074834 /nfs/dbraw/zinc/07/48/34/526074834.db2.gz MRZHBMVGYYHJDD-FPMYSUOESA-N 0 0 492.651 4.961 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466542 526079628 /nfs/dbraw/zinc/07/96/28/526079628.db2.gz NZUDUWJOUHWQIO-BEFSUNGCSA-N 0 0 486.672 4.966 40 0 biogenic,in-vitro JJABRN COc1cccc(N2C(=O)[C@H]3ON(c4cccc(Br)c4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000012447686 526140348 /nfs/dbraw/zinc/14/03/48/526140348.db2.gz VSXXGGUJNSHFKH-ZRBLBEILSA-N 0 0 493.357 4.817 40 0 JJABRN COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448586 526202696 /nfs/dbraw/zinc/20/26/96/526202696.db2.gz MEIFMYDPZUQRJT-OAHLLOKOSA-N 0 0 456.951 4.741 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C ZINC000022747787 526215794 /nfs/dbraw/zinc/21/57/94/526215794.db2.gz QCDMGYLQHDDSIU-UHFFFAOYSA-N 0 0 489.601 4.996 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000022706108 526216137 /nfs/dbraw/zinc/21/61/37/526216137.db2.gz UODQXASMHZSATL-UHFFFAOYSA-N 0 0 469.950 4.736 40 0 JJABRN O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000004237436 526299583 /nfs/dbraw/zinc/29/95/83/526299583.db2.gz GNUCIZOHACSKCF-QFBILLFUSA-N 0 0 460.496 4.940 40 0 biogenic,in-vitro JJABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(C)cc45)ccc32)c1-c1ccc(F)cc1 ZINC000040391980 526313665 /nfs/dbraw/zinc/31/36/65/526313665.db2.gz QGHAPZMOJOACQB-UHFFFAOYSA-N 0 0 452.493 4.586 40 0 JJABRN O=C(Oc1ccc(-c2ccnc3nc(N4CCCCC4)[nH]c(=O)c23)cc1)c1ccc(Cl)cc1 ZINC000019819834 526437349 /nfs/dbraw/zinc/43/73/49/526437349.db2.gz IXOXWTDMLUSUPD-UHFFFAOYSA-N 0 0 460.921 4.848 40 0 JJABRN O=C(CCCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21)Nc1ccc(F)cc1 ZINC000016754373 526469447 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CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000013497889 555415918 /nfs/dbraw/zinc/41/59/18/555415918.db2.gz SUXCEWPIGQOGOL-XMMPIXPASA-N 0 0 488.650 4.745 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)cc1OC ZINC000013497899 555415970 /nfs/dbraw/zinc/41/59/70/555415970.db2.gz KGGSMAQFCKYSFN-AREMUKBSSA-N 0 0 493.629 4.532 40 0 JJABRN COc1ccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498700 555423819 /nfs/dbraw/zinc/42/38/19/555423819.db2.gz JUKKNPPSECNPKE-DEOSSOPVSA-N 0 0 474.609 4.678 40 0 JJABRN COc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498745 555424358 /nfs/dbraw/zinc/42/43/58/555424358.db2.gz OHDVJMLVBSFAKY-AREMUKBSSA-N 0 0 498.587 4.564 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000009702722 555427457 /nfs/dbraw/zinc/42/74/57/555427457.db2.gz VHYJQUCKIUQJJR-UHFFFAOYSA-N 0 0 462.546 4.536 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499089 555428097 /nfs/dbraw/zinc/42/80/97/555428097.db2.gz WCKDFWRILQQIJV-SANMLTNESA-N 0 0 497.603 4.567 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499121 555428462 /nfs/dbraw/zinc/42/84/62/555428462.db2.gz VSCYNKAUNIAKQA-UPVQGACJSA-N 0 0 480.657 4.655 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500206 555437848 /nfs/dbraw/zinc/43/78/48/555437848.db2.gz PBOOZKPSTHLCHG-DEOSSOPVSA-N 0 0 458.610 4.978 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500405 555439663 /nfs/dbraw/zinc/43/96/63/555439663.db2.gz PAPSEXXRFVPVCW-ZCYQVOJMSA-N 0 0 478.641 4.625 40 0 JJABRN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500393 555439835 /nfs/dbraw/zinc/43/98/35/555439835.db2.gz DWJGXHGQFSHGNA-ZCYQVOJMSA-N 0 0 478.641 4.707 40 0 JJABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500950 555445608 /nfs/dbraw/zinc/44/56/08/555445608.db2.gz UQDJLHIVBPLQOL-JTHBVZDNSA-N 0 0 492.649 4.607 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501108 555447650 /nfs/dbraw/zinc/44/76/50/555447650.db2.gz QPOXAOAWSLTRRQ-RUZDIDTESA-N 0 0 486.620 4.776 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501155 555448264 /nfs/dbraw/zinc/44/82/64/555448264.db2.gz NLYGXRRALIKAQK-SANMLTNESA-N 0 0 470.621 4.962 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2ccc(C)cc2)cc1 ZINC000013501407 555449597 /nfs/dbraw/zinc/44/95/97/555449597.db2.gz OBQPADCGULZUIN-HHHXNRCGSA-N 0 0 472.589 4.716 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000013501448 555449829 /nfs/dbraw/zinc/44/98/29/555449829.db2.gz YIFVHGBBGDZISY-SANMLTNESA-N 0 0 490.579 4.937 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 ZINC000013501463 555449865 /nfs/dbraw/zinc/44/98/65/555449865.db2.gz CNUTVUZOWFSXHW-AREMUKBSSA-N 0 0 488.588 4.504 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000013501468 555449881 /nfs/dbraw/zinc/44/98/81/555449881.db2.gz ALNMWJGGARRTTC-MHZLTWQESA-N 0 0 486.616 4.794 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000013501849 555451735 /nfs/dbraw/zinc/45/17/35/555451735.db2.gz YEHIXAUODVJNIA-QHCPKHFHSA-N 0 0 484.666 4.988 40 0 JJABRN COc1ccc(NC(=O)c2ccccc2C)cc1NC(=O)CSc1nnc(-c2cccs2)n1C ZINC000013502060 555452536 /nfs/dbraw/zinc/45/25/36/555452536.db2.gz MEOSXQZIFNRTGC-UHFFFAOYSA-N 0 0 493.614 4.844 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(C)c(NC(=O)CSc3nnc(-c4cccs4)n3C)c2)cc1 ZINC000013502056 555452541 /nfs/dbraw/zinc/45/25/41/555452541.db2.gz CQUQQOHRSJGMOZ-UHFFFAOYSA-N 0 0 493.614 4.844 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)c1 ZINC000013502239 555453798 /nfs/dbraw/zinc/45/37/98/555453798.db2.gz FMJLLBQQPKCYPT-XMMPIXPASA-N 0 0 463.603 4.984 40 0 JJABRN COc1ccccc1CN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000013502628 555456630 /nfs/dbraw/zinc/45/66/30/555456630.db2.gz FAYCDUIIAGNFKY-UHFFFAOYSA-N 0 0 490.629 4.961 40 0 JJABRN CCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2CC)OCCO4)ccc1C ZINC000013503651 555461252 /nfs/dbraw/zinc/46/12/52/555461252.db2.gz XCKGNVKZEPSJNM-UHFFFAOYSA-N 0 0 465.575 4.956 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)ccn2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013503709 555461567 /nfs/dbraw/zinc/46/15/67/555461567.db2.gz PEZLOXKGAZHYKO-MHZLTWQESA-N 0 0 490.579 4.855 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000013504190 555462939 /nfs/dbraw/zinc/46/29/39/555462939.db2.gz CDDKSMKMVREUDX-HSZRJFAPSA-N 0 0 499.059 4.709 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)no1 ZINC000013505670 555467638 /nfs/dbraw/zinc/46/76/38/555467638.db2.gz XDSDIJRUDQEPOA-SANMLTNESA-N 0 0 492.551 4.674 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013505775 555468100 /nfs/dbraw/zinc/46/81/00/555468100.db2.gz HRUVQYOOPVDHLZ-AREMUKBSSA-N 0 0 498.624 4.529 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000013505936 555468788 /nfs/dbraw/zinc/46/87/88/555468788.db2.gz XAQFYRCGXJBUDX-RUZDIDTESA-N 0 0 450.604 4.986 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013505992 555469073 /nfs/dbraw/zinc/46/90/73/555469073.db2.gz ZLNRQFRIFCQMKL-VWLOTQADSA-N 0 0 493.629 4.775 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506130 555469852 /nfs/dbraw/zinc/46/98/52/555469852.db2.gz RXVPEGIXFSPHQL-QHCPKHFHSA-N 0 0 481.643 4.681 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(F)cc2)cc1 ZINC000013506236 555470621 /nfs/dbraw/zinc/47/06/21/555470621.db2.gz IAXLQCBNTDTIQJ-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013506353 555471088 /nfs/dbraw/zinc/47/10/88/555471088.db2.gz AKNFJPRONMKOGK-XMMPIXPASA-N 0 0 496.032 4.965 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)o1 ZINC000013506401 555471351 /nfs/dbraw/zinc/47/13/51/555471351.db2.gz YUNXNZIZHVJJGF-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013506473 555471848 /nfs/dbraw/zinc/47/18/48/555471848.db2.gz ARGXODGSFBMASS-VWLOTQADSA-N 0 0 475.614 4.701 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2cccc3ccccc32)o1 ZINC000013506633 555472939 /nfs/dbraw/zinc/47/29/39/555472939.db2.gz JGPYIGCUKQAFSQ-HHHXNRCGSA-N 0 0 499.567 4.897 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000013507429 555476202 /nfs/dbraw/zinc/47/62/02/555476202.db2.gz DCMRPPZWDKXHER-RUZDIDTESA-N 0 0 493.991 4.805 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1F)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507441 555476272 /nfs/dbraw/zinc/47/62/72/555476272.db2.gz ANIGUTOCTYNTLA-VWLOTQADSA-N 0 0 495.526 4.511 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccco1 ZINC000013507857 555477196 /nfs/dbraw/zinc/47/71/96/555477196.db2.gz FXRLJGKDCFHPDN-RUZDIDTESA-N 0 0 493.629 4.598 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccco1 ZINC000013507858 555477202 /nfs/dbraw/zinc/47/72/02/555477202.db2.gz FXRLJGKDCFHPDN-VWLOTQADSA-N 0 0 493.629 4.598 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 ZINC000013507832 555477290 /nfs/dbraw/zinc/47/72/90/555477290.db2.gz RTGUGVURYJYYKZ-AREMUKBSSA-N 0 0 473.573 4.541 40 0 JJABRN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCNc1nc(C)nc2sc(C)c(C)c21 ZINC000013510248 555481976 /nfs/dbraw/zinc/48/19/76/555481976.db2.gz UEBCQNIZISLPQZ-UHFFFAOYSA-N 0 0 454.987 4.606 40 0 JJABRN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009761260 555485524 /nfs/dbraw/zinc/48/55/24/555485524.db2.gz GMSGBLDWKSGRKP-HSWFVFMJSA-N 0 0 461.517 4.897 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](OC(=O)c2cc3sc(C)cc3n2C)c2ccccc2OC)cc1 ZINC000013561555 555494536 /nfs/dbraw/zinc/49/45/36/555494536.db2.gz VUQODLGKMJMLHF-DEOSSOPVSA-N 0 0 478.570 4.780 40 0 JJABRN COc1ccc(CNC(=O)[C@H](OC(=O)c2cc3sc(C)cc3n2C)c2ccccc2OC)cc1 ZINC000013561556 555494654 /nfs/dbraw/zinc/49/46/54/555494654.db2.gz VUQODLGKMJMLHF-XMMPIXPASA-N 0 0 478.570 4.780 40 0 JJABRN CCc1nc2c(cnn2-c2ccccc2)c(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1 ZINC000013561676 555494817 /nfs/dbraw/zinc/49/48/17/555494817.db2.gz KOMXPDRSFOFCSF-UHFFFAOYSA-N 0 0 452.609 4.863 40 0 JJABRN COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000013562538 555497104 /nfs/dbraw/zinc/49/71/04/555497104.db2.gz JXGZXVNWNAUIJW-QZTJIDSGSA-N 0 0 466.607 4.565 40 0 JJABRN COc1cccc(N2CCN(c3c4c(nc5cc(-c6cccc(F)c6)nn53)CCCC4)CC2)c1 ZINC000013562817 555497877 /nfs/dbraw/zinc/49/78/77/555497877.db2.gz SWCNEQAIQJBZCU-UHFFFAOYSA-N 0 0 457.553 4.749 40 0 JJABRN Cc1cccc(-c2cc3nc4c(c(N5CCN(Cc6ccc7c(c6)OCO7)CC5)n3n2)CCCC4)c1 ZINC000013562805 555497880 /nfs/dbraw/zinc/49/78/80/555497880.db2.gz QRIKYKMYXVLIGI-UHFFFAOYSA-N 0 0 481.600 4.634 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1C ZINC000013564467 555499328 /nfs/dbraw/zinc/49/93/28/555499328.db2.gz CBPVNUWYPBHNAG-XMMPIXPASA-N 0 0 477.630 4.784 40 0 JJABRN Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013564963 555500562 /nfs/dbraw/zinc/50/05/62/555500562.db2.gz YFCLSFQDJSNAGV-UHFFFAOYSA-N 0 0 478.593 4.885 40 0 JJABRN CCSc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)n1CC ZINC000013565142 555501283 /nfs/dbraw/zinc/50/12/83/555501283.db2.gz VIKBHTJAKCRCMP-CYBMUJFWSA-N 0 0 475.968 4.900 40 0 JJABRN O=C(c1ncoc1-c1ccc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000013565456 555501749 /nfs/dbraw/zinc/50/17/49/555501749.db2.gz KJINPLLOYLQOKX-UHFFFAOYSA-N 0 0 452.436 4.871 40 0 JJABRN Cc1sc(NC(=O)CN2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000013565780 555502798 /nfs/dbraw/zinc/50/27/98/555502798.db2.gz HCGRJZYJCWSWTF-UHFFFAOYSA-N 0 0 474.630 4.660 40 0 JJABRN CCOc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1NC(=O)CC ZINC000013566613 555503498 /nfs/dbraw/zinc/50/34/98/555503498.db2.gz ILCWANNLRLYCKG-MYYSRTQBSA-N 0 0 454.596 4.769 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000019856037 555513343 /nfs/dbraw/zinc/51/33/43/555513343.db2.gz ZJUGLWYAWFKNCF-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000019856049 555513660 /nfs/dbraw/zinc/51/36/60/555513660.db2.gz MIJJGLRCFQIRIG-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2F)c2ccc(F)cc2)cc1 ZINC000019856370 555515426 /nfs/dbraw/zinc/51/54/26/555515426.db2.gz VYGAATALOVTVOP-UHFFFAOYSA-N 0 0 495.345 4.870 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 ZINC000019856453 555515668 /nfs/dbraw/zinc/51/56/68/555515668.db2.gz MQIRSBWVVLSLBR-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000019856564 555516242 /nfs/dbraw/zinc/51/62/42/555516242.db2.gz NGIRHAVLHGPLHM-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000019856720 555517198 /nfs/dbraw/zinc/51/71/98/555517198.db2.gz CHGFTOSINNADPR-UHFFFAOYSA-N 0 0 491.382 4.985 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019856851 555517668 /nfs/dbraw/zinc/51/76/68/555517668.db2.gz UVABGZPGQGZVEW-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1 ZINC000019856833 555517722 /nfs/dbraw/zinc/51/77/22/555517722.db2.gz JCIPYYUTPHEOGU-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000019856905 555517977 /nfs/dbraw/zinc/51/79/77/555517977.db2.gz ALGXSBLVOSONAK-UHFFFAOYSA-N 0 0 475.035 4.996 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)CCCC2 ZINC000019856986 555518546 /nfs/dbraw/zinc/51/85/46/555518546.db2.gz WELDVBVCUWBEOH-UHFFFAOYSA-N 0 0 498.626 4.799 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581591 555519564 /nfs/dbraw/zinc/51/95/64/555519564.db2.gz STZIJOOQVXACHU-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581801 555519849 /nfs/dbraw/zinc/51/98/49/555519849.db2.gz KZMNEXSEIGMCNQ-UHFFFAOYSA-N 0 0 452.576 4.592 40 0 JJABRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000013583120 555520512 /nfs/dbraw/zinc/52/05/12/555520512.db2.gz DMEMVUNNUOTTAB-UHFFFAOYSA-N 0 0 482.989 4.916 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000019867532 555521785 /nfs/dbraw/zinc/52/17/85/555521785.db2.gz KVLPCHORZVRYOV-UHFFFAOYSA-N 0 0 453.800 4.748 40 0 JJABRN Cc1ccc(CN(c2ccc3sc(C(=O)NCCCOC(C)C)cc3c2)S(C)(=O)=O)cc1 ZINC000013584269 555521904 /nfs/dbraw/zinc/52/19/04/555521904.db2.gz WATBGVQQIJTXFK-UHFFFAOYSA-N 0 0 474.648 4.721 40 0 JJABRN Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000019867674 555522022 /nfs/dbraw/zinc/52/20/22/555522022.db2.gz XEISOAYHWAPDFN-UHFFFAOYSA-N 0 0 485.831 4.591 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019867977 555522334 /nfs/dbraw/zinc/52/23/34/555522334.db2.gz QTIILPXHQMCAGA-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN CCN(c1ccc2sc(C(=O)NC3CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013584588 555522458 /nfs/dbraw/zinc/52/24/58/555522458.db2.gz BEOJKKDVOYMAFT-UHFFFAOYSA-N 0 0 479.421 4.771 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868126 555522528 /nfs/dbraw/zinc/52/25/28/555522528.db2.gz BWZKCLPOXRFBQZ-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868658 555523038 /nfs/dbraw/zinc/52/30/38/555523038.db2.gz LDXXCEGYSAJNNG-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585293 555523439 /nfs/dbraw/zinc/52/34/39/555523439.db2.gz LTRXJERAOZZUIK-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868962 555523589 /nfs/dbraw/zinc/52/35/89/555523589.db2.gz GQUHKUBNNJEOOI-JTQLQIEISA-N 0 0 453.800 4.748 40 0 JJABRN Cc1cc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)ccc1Br ZINC000019869031 555523669 /nfs/dbraw/zinc/52/36/69/555523669.db2.gz LYWNSIUREDBFOR-UHFFFAOYSA-N 0 0 475.339 4.711 40 0 JJABRN CCN(c1ccc(OCC(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585429 555523688 /nfs/dbraw/zinc/52/36/88/555523688.db2.gz LPIXUMPZOLDPAQ-UHFFFAOYSA-N 0 0 458.624 4.818 40 0 JJABRN CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585449 555523691 /nfs/dbraw/zinc/52/36/91/555523691.db2.gz RXRLCIPQPPCKQV-OAQYLSRUSA-N 0 0 466.603 4.684 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1Cl ZINC000019869127 555523920 /nfs/dbraw/zinc/52/39/20/555523920.db2.gz FGLYGEAJIUZBBR-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN COC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn32)cc1 ZINC000013609623 555533156 /nfs/dbraw/zinc/53/31/56/555533156.db2.gz FYVGASDXAFQBDM-UHFFFAOYSA-N 0 0 462.889 4.876 40 0 JJABRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000013609646 555533224 /nfs/dbraw/zinc/53/32/24/555533224.db2.gz AXFFTWNBVWFLKJ-UHFFFAOYSA-N 0 0 491.950 4.939 40 0 JJABRN O=c1cc(CSc2nc3ccccc3o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000013611744 555534458 /nfs/dbraw/zinc/53/44/58/555534458.db2.gz CACVJBNWHABDEZ-UHFFFAOYSA-N 0 0 487.507 4.549 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000013631892 555541554 /nfs/dbraw/zinc/54/15/54/555541554.db2.gz CFYDQZKMENTSNM-QGZVFWFLSA-N 0 0 470.978 4.522 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013632137 555541842 /nfs/dbraw/zinc/54/18/42/555541842.db2.gz YKMWYKHJNMRPAA-CQSZACIVSA-N 0 0 457.423 4.934 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000013633314 555543509 /nfs/dbraw/zinc/54/35/09/555543509.db2.gz WWJZUBYUSQNLMX-UHFFFAOYSA-N 0 0 454.548 4.527 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000013633398 555543552 /nfs/dbraw/zinc/54/35/52/555543552.db2.gz LCKXIWQKZUJELI-UHFFFAOYSA-N 0 0 454.548 4.527 40 0 JJABRN COc1cc2c(cc1OC)n(Cc1ccc(Cl)cc1)c(=O)n(-c1cccc(Cl)c1)c2=O ZINC000013634541 555543871 /nfs/dbraw/zinc/54/38/71/555543871.db2.gz KVRZARJREKCYPA-UHFFFAOYSA-N 0 0 457.313 4.525 40 0 JJABRN CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cc(OC)cc(OC)c1 ZINC000019928915 555545067 /nfs/dbraw/zinc/54/50/67/555545067.db2.gz TYXRYRSRAOJPEV-UHFFFAOYSA-N 0 0 457.943 4.978 40 0 JJABRN COCc1nn2c(nnc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000013639463 555546078 /nfs/dbraw/zinc/54/60/78/555546078.db2.gz YGNUBJAUBUEWAH-MRXNPFEDSA-N 0 0 478.936 4.521 40 0 JJABRN C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019930925 555548061 /nfs/dbraw/zinc/54/80/61/555548061.db2.gz CENASPXFBXLPRU-AOMKIAJQSA-N 0 0 477.413 4.760 40 0 JJABRN Cc1ccc(F)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931230 555548556 /nfs/dbraw/zinc/54/85/56/555548556.db2.gz ACPNVYHPTZBPEC-FQEVSTJZSA-N 0 0 481.376 4.969 40 0 JJABRN O=C(Nc1cc(F)ccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931220 555548596 /nfs/dbraw/zinc/54/85/96/555548596.db2.gz LPFWDBVSUXIKPC-LJQANCHMSA-N 0 0 485.339 4.800 40 0 JJABRN O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931226 555548653 /nfs/dbraw/zinc/54/86/53/555548653.db2.gz IGICRXSSEFUHAW-IBGZPJMESA-N 0 0 485.339 4.800 40 0 JJABRN Cc1c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019931894 555549423 /nfs/dbraw/zinc/54/94/23/555549423.db2.gz ROWMHUSZCDPKDO-UHFFFAOYSA-N 0 0 452.558 4.690 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1Cl ZINC000019932357 555549636 /nfs/dbraw/zinc/54/96/36/555549636.db2.gz GBLCNDOSNDABMV-UHFFFAOYSA-N 0 0 485.389 4.597 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 ZINC000019932627 555549997 /nfs/dbraw/zinc/54/99/97/555549997.db2.gz UTLSPQWVEVJLTG-XMMPIXPASA-N 0 0 484.593 4.933 40 0 JJABRN CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(Cl)cc1Cl ZINC000009848718 555550886 /nfs/dbraw/zinc/55/08/86/555550886.db2.gz YXYCGWDAODDDLW-UHFFFAOYSA-N 0 0 465.362 4.789 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2cccc(Cl)c2)cc1 ZINC000019933891 555551228 /nfs/dbraw/zinc/55/12/28/555551228.db2.gz ARMUMEUDXOKLKO-DEOSSOPVSA-N 0 0 485.005 4.738 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019934118 555551253 /nfs/dbraw/zinc/55/12/53/555551253.db2.gz ANALRESXTISXFQ-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000013647169 555551347 /nfs/dbraw/zinc/55/13/47/555551347.db2.gz CKRAUFUZNWIYIS-UHFFFAOYSA-N 0 0 493.840 4.561 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019934310 555551682 /nfs/dbraw/zinc/55/16/82/555551682.db2.gz AGQOGCCWUKJEBB-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1C ZINC000013647352 555551749 /nfs/dbraw/zinc/55/17/49/555551749.db2.gz IGKKVKOLSKDWHN-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000019934492 555551910 /nfs/dbraw/zinc/55/19/10/555551910.db2.gz YNXCVYVYCNAPFV-LJQANCHMSA-N 0 0 469.434 4.502 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCCCc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013647764 555551964 /nfs/dbraw/zinc/55/19/64/555551964.db2.gz XHOAFFYWRVJVLP-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCc1ccccc1NC(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 ZINC000019935909 555553192 /nfs/dbraw/zinc/55/31/92/555553192.db2.gz UIGUZQVSTCDCCH-XMMPIXPASA-N 0 0 452.576 4.648 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c(C)c1 ZINC000013648796 555553183 /nfs/dbraw/zinc/55/31/83/555553183.db2.gz XRCDKVXXIGKCKG-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccccc3F)cc2)cc1 ZINC000013648901 555553272 /nfs/dbraw/zinc/55/32/72/555553272.db2.gz QWRJSFAQBLCFFO-UHFFFAOYSA-N 0 0 458.580 4.598 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013649342 555553600 /nfs/dbraw/zinc/55/36/00/555553600.db2.gz KMNAYRHSKKDIKJ-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000013649643 555553817 /nfs/dbraw/zinc/55/38/17/555553817.db2.gz OYJJMFMETBSGDP-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccccc2SC)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936221 555554075 /nfs/dbraw/zinc/55/40/75/555554075.db2.gz ISZSQXLOVZQBPL-JOCHJYFZSA-N 0 0 470.616 4.808 40 0 JJABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019937674 555554258 /nfs/dbraw/zinc/55/42/58/555554258.db2.gz DWMLRPGSBIPLFY-UHFFFAOYSA-N 0 0 499.014 4.567 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000013668536 555557483 /nfs/dbraw/zinc/55/74/83/555557483.db2.gz FVQQOLADTNUXPT-SANMLTNESA-N 0 0 474.582 4.932 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000013668705 555557778 /nfs/dbraw/zinc/55/77/78/555557778.db2.gz ACQLQHGHTNXHQM-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000013669028 555558389 /nfs/dbraw/zinc/55/83/89/555558389.db2.gz QFDOPPHLRJLGKC-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013669435 555559339 /nfs/dbraw/zinc/55/93/39/555559339.db2.gz GRIHKOSPZFPXQQ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013670110 555560569 /nfs/dbraw/zinc/56/05/69/555560569.db2.gz GTBDEAIWQALEQG-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000013670760 555561755 /nfs/dbraw/zinc/56/17/55/555561755.db2.gz RUMONQKBJXUQCN-XMMPIXPASA-N 0 0 464.543 4.791 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(Cl)cc2)cc1 ZINC000013671370 555562928 /nfs/dbraw/zinc/56/29/28/555562928.db2.gz YEIYVPGKUSWZGD-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000013671615 555563191 /nfs/dbraw/zinc/56/31/91/555563191.db2.gz ZRILUUGXDMVSAM-UHFFFAOYSA-N 0 0 450.329 4.646 40 0 JJABRN C[C@H]1CCCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)C1 ZINC000013671610 555563244 /nfs/dbraw/zinc/56/32/44/555563244.db2.gz DECGODGHUVUZRD-HNNXBMFYSA-N 0 0 474.932 4.813 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000013672080 555563950 /nfs/dbraw/zinc/56/39/50/555563950.db2.gz QESWGPDTOIYFMP-AREMUKBSSA-N 0 0 464.587 4.815 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cccc(Cl)c2)cc1 ZINC000013672638 555564185 /nfs/dbraw/zinc/56/41/85/555564185.db2.gz OUVZGLUIKZFOSX-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000013673667 555565228 /nfs/dbraw/zinc/56/52/28/555565228.db2.gz PLDKRXJOVJVAIY-UHFFFAOYSA-N 0 0 480.586 4.568 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000013673840 555565237 /nfs/dbraw/zinc/56/52/37/555565237.db2.gz GEOJPDXKHDVLAW-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN COc1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(C)C ZINC000013674044 555565485 /nfs/dbraw/zinc/56/54/85/555565485.db2.gz YXZVPLJBMHWAJM-UHFFFAOYSA-N 0 0 468.575 4.522 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1C ZINC000013674691 555566041 /nfs/dbraw/zinc/56/60/41/555566041.db2.gz WUAQPBLEFHPTQQ-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678334 555569422 /nfs/dbraw/zinc/56/94/22/555569422.db2.gz BSSAWHVAWHMWRI-NRFANRHFSA-N 0 0 477.369 4.897 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000013678955 555570506 /nfs/dbraw/zinc/57/05/06/555570506.db2.gz MPFJCIKLOBAVCO-VWLOTQADSA-N 0 0 464.587 4.765 40 0 JJABRN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013679208 555570761 /nfs/dbraw/zinc/57/07/61/555570761.db2.gz SPDLENCZNRDXHC-KRWDZBQOSA-N 0 0 485.433 4.961 40 0 JJABRN CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679569 555571336 /nfs/dbraw/zinc/57/13/36/555571336.db2.gz GSTVCJNVENRITD-MRXNPFEDSA-N 0 0 455.407 4.736 40 0 JJABRN Cc1cc(C)cc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013680005 555571877 /nfs/dbraw/zinc/57/18/77/555571877.db2.gz AKYSYOWUODRIAL-JOCHJYFZSA-N 0 0 456.951 4.552 40 0 JJABRN CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccc(OC)cc3)c3nc4ccccc4n32)cc1 ZINC000019962199 555573698 /nfs/dbraw/zinc/57/36/98/555573698.db2.gz OAVZVPWCABRVQN-VWLOTQADSA-N 0 0 468.557 4.767 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013681125 555574114 /nfs/dbraw/zinc/57/41/14/555574114.db2.gz GOIKDBXALBAURJ-UHFFFAOYSA-N 0 0 455.407 4.607 40 0 JJABRN Cc1ccc(NC(SCc2ccc(Br)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C ZINC000009973721 555574903 /nfs/dbraw/zinc/57/49/03/555574903.db2.gz KGTSRPOEGHYGQR-UHFFFAOYSA-N 0 0 488.407 4.673 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1C ZINC000013681715 555575076 /nfs/dbraw/zinc/57/50/76/555575076.db2.gz GQFYLQWEPJPBHL-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681814 555575192 /nfs/dbraw/zinc/57/51/92/555575192.db2.gz DWNCIIGZMOAGQY-XMMPIXPASA-N 0 0 464.587 4.855 40 0 JJABRN COc1ccc(NC(SCc2ccc(Cl)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973832 555575649 /nfs/dbraw/zinc/57/56/49/555575649.db2.gz WRSSQRCAHRUNPO-UHFFFAOYSA-N 0 0 480.373 4.609 40 0 JJABRN COC(=O)c1c(C)nc2ccn(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2c1-c1ccc(Cl)cc1 ZINC000019973865 555576360 /nfs/dbraw/zinc/57/63/60/555576360.db2.gz SSXYNHPULUXHLV-UHFFFAOYSA-N 0 0 494.931 4.827 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000013684245 555578248 /nfs/dbraw/zinc/57/82/48/555578248.db2.gz VODAUOIIVLOQCG-UHFFFAOYSA-N 0 0 496.991 4.964 40 0 JJABRN CCOc1ccc(NC(SCc2cccc3ccccc32)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974288 555578346 /nfs/dbraw/zinc/57/83/46/555578346.db2.gz XLQXAECQGVSNJV-UHFFFAOYSA-N 0 0 475.570 4.846 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974359 555578641 /nfs/dbraw/zinc/57/86/41/555578641.db2.gz MXODFGQPRBMPJG-GFCCVEGCSA-N 0 0 492.222 4.795 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000020005685 555579913 /nfs/dbraw/zinc/57/99/13/555579913.db2.gz CWNNJRLDSHTRFM-QHCPKHFHSA-N 0 0 496.629 4.664 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc(C(=O)OC)c1 ZINC000013687825 555581170 /nfs/dbraw/zinc/58/11/70/555581170.db2.gz HDIVDGNBSDCUIR-UHFFFAOYSA-N 0 0 453.878 4.745 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000013688628 555581954 /nfs/dbraw/zinc/58/19/54/555581954.db2.gz BNOBXIWJJJTTNH-UHFFFAOYSA-N 0 0 452.620 4.722 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007893 555582491 /nfs/dbraw/zinc/58/24/91/555582491.db2.gz YKWYMESUMKEAND-FQEVSTJZSA-N 0 0 467.349 4.661 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008179 555582661 /nfs/dbraw/zinc/58/26/61/555582661.db2.gz ANAKNZBIBGTWDP-QHCPKHFHSA-N 0 0 454.567 4.786 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000020008880 555583611 /nfs/dbraw/zinc/58/36/11/555583611.db2.gz CVBRDKRCUBHBIX-OAQYLSRUSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020009702 555585627 /nfs/dbraw/zinc/58/56/27/555585627.db2.gz CHFVMWXHBMTOCS-LJQANCHMSA-N 0 0 497.375 4.669 40 0 JJABRN COC(=O)c1cc2cc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccccc3)ccc2s1 ZINC000020010274 555586225 /nfs/dbraw/zinc/58/62/25/555586225.db2.gz HNCDYJIWIDREOH-UHFFFAOYSA-N 0 0 486.615 4.650 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)C2CCCCC2)cc1 ZINC000020010521 555586476 /nfs/dbraw/zinc/58/64/76/555586476.db2.gz OTGUIKKERWIOFC-SFHVURJKSA-N 0 0 493.467 4.958 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011758 555587868 /nfs/dbraw/zinc/58/78/68/555587868.db2.gz UVXFDIWSKNWTPS-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000020011653 555587879 /nfs/dbraw/zinc/58/78/79/555587879.db2.gz LVGILKXIHQGSGD-UHFFFAOYSA-N 0 0 491.382 4.726 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000020011813 555587918 /nfs/dbraw/zinc/58/79/18/555587918.db2.gz UUCRWVZTQGUOQH-UHFFFAOYSA-N 0 0 486.874 4.726 40 0 JJABRN Cc1cccc(CN(CC(=O)Nc2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020011872 555588106 /nfs/dbraw/zinc/58/81/06/555588106.db2.gz DRUNXRCNPYZLPT-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1 ZINC000020012089 555588145 /nfs/dbraw/zinc/58/81/45/555588145.db2.gz XSMJIXQEXDDXRF-UHFFFAOYSA-N 0 0 468.884 4.587 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020012292 555588364 /nfs/dbraw/zinc/58/83/64/555588364.db2.gz ANUDYSOPAMNSIA-SFHVURJKSA-N 0 0 472.607 4.616 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711362 555588894 /nfs/dbraw/zinc/58/88/94/555588894.db2.gz UPSVHCIHVDWRDA-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)c(C)c1 ZINC000020012792 555589162 /nfs/dbraw/zinc/58/91/62/555589162.db2.gz WJFIUWNKSACABF-UHFFFAOYSA-N 0 0 458.530 4.720 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712162 555589407 /nfs/dbraw/zinc/58/94/07/555589407.db2.gz XEKXTSUZIJKQHD-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010001173 555590076 /nfs/dbraw/zinc/59/00/76/555590076.db2.gz NAFOXMIVWYYBDN-RCCKNPSSSA-N 0 0 457.482 4.966 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010002757 555590566 /nfs/dbraw/zinc/59/05/66/555590566.db2.gz LVDGFSQZDQVQNA-XSFVSMFZSA-N 0 0 461.445 4.797 40 0 JJABRN CC[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714328 555591818 /nfs/dbraw/zinc/59/18/18/555591818.db2.gz LCBKKXZDDNRKGC-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc5ccccc5cc4OC)c3)nn12 ZINC000010010288 555592268 /nfs/dbraw/zinc/59/22/68/555592268.db2.gz DGHBVXIMUHLFHR-UHFFFAOYSA-N 0 0 459.531 4.838 40 0 JJABRN CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714960 555592530 /nfs/dbraw/zinc/59/25/30/555592530.db2.gz WOOBUDCNWUDIEZ-QFIPXVFZSA-N 0 0 456.995 4.790 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000010010402 555592528 /nfs/dbraw/zinc/59/25/28/555592528.db2.gz JVSUWGHARIWEMO-UHFFFAOYSA-N 0 0 463.965 4.840 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000010010383 555592602 /nfs/dbraw/zinc/59/26/02/555592602.db2.gz CQRILSIEVMKOQD-UHFFFAOYSA-N 0 0 471.182 4.677 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nn12 ZINC000010010533 555593058 /nfs/dbraw/zinc/59/30/58/555593058.db2.gz BBPHMAVQEHWRQV-UHFFFAOYSA-N 0 0 451.596 4.969 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715874 555593323 /nfs/dbraw/zinc/59/33/23/555593323.db2.gz WDAFADNPZOIRMZ-QFIPXVFZSA-N 0 0 488.968 4.893 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1C ZINC000020019995 555596322 /nfs/dbraw/zinc/59/63/22/555596322.db2.gz UCTVZVZVOIINAA-VWLOTQADSA-N 0 0 464.587 4.677 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 ZINC000020020526 555597223 /nfs/dbraw/zinc/59/72/23/555597223.db2.gz BPASXSCWVMUJNH-GOSISDBHSA-N 0 0 485.005 4.738 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000020020701 555597863 /nfs/dbraw/zinc/59/78/63/555597863.db2.gz CYNZYHGZTONBBC-MRXNPFEDSA-N 0 0 474.579 4.605 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020021237 555598469 /nfs/dbraw/zinc/59/84/69/555598469.db2.gz UGBZDPLCYBKJCI-UHFFFAOYSA-N 0 0 498.445 4.772 40 0 JJABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020021776 555599119 /nfs/dbraw/zinc/59/91/19/555599119.db2.gz YUBQPTKPNANYDP-UHFFFAOYSA-N 0 0 498.445 4.737 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)cc1 ZINC000020021985 555599341 /nfs/dbraw/zinc/59/93/41/555599341.db2.gz HMDZUXRYLBNLJI-LJQANCHMSA-N 0 0 496.654 4.725 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1C ZINC000020022582 555600357 /nfs/dbraw/zinc/60/03/57/555600357.db2.gz SSIZMNHXAYXXLX-VWLOTQADSA-N 0 0 478.614 4.985 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000020023115 555600952 /nfs/dbraw/zinc/60/09/52/555600952.db2.gz KIEHWYDQFUTGPX-UHFFFAOYSA-N 0 0 470.856 4.576 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000020023037 555600999 /nfs/dbraw/zinc/60/09/99/555600999.db2.gz RGLXKCSBYGKGRM-OAHLLOKOSA-N 0 0 483.055 4.539 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000020023819 555601780 /nfs/dbraw/zinc/60/17/80/555601780.db2.gz MTWCMNLOZCEEGJ-PMACEKPBSA-N 0 0 466.603 4.545 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020024091 555602013 /nfs/dbraw/zinc/60/20/13/555602013.db2.gz XPQMGJAKGRGCIO-UHFFFAOYSA-N 0 0 480.483 4.894 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020024009 555602019 /nfs/dbraw/zinc/60/20/19/555602019.db2.gz FGHRINYDZLFXJH-UHFFFAOYSA-N 0 0 494.510 4.937 40 0 JJABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020024016 555602021 /nfs/dbraw/zinc/60/20/21/555602021.db2.gz BGYDKQKGPHAVNU-SFHVURJKSA-N 0 0 456.995 4.629 40 0 JJABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1OC ZINC000020025268 555603427 /nfs/dbraw/zinc/60/34/27/555603427.db2.gz YDULHDLIUPPAJQ-UHFFFAOYSA-N 0 0 470.391 4.882 40 0 JJABRN COc1cc(C(=O)NC(=S)Nc2nc3c(ccc(Cl)c3Cl)s2)cc(OC)c1OC ZINC000010041216 555605616 /nfs/dbraw/zinc/60/56/16/555605616.db2.gz HZBPXAIQZCVYIJ-UHFFFAOYSA-N 0 0 472.375 4.756 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000020036166 555610701 /nfs/dbraw/zinc/61/07/01/555610701.db2.gz BVTAKCWALMSBOC-QFIPXVFZSA-N 0 0 491.396 4.608 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)c(Cl)c2)cc1 ZINC000020037351 555611610 /nfs/dbraw/zinc/61/16/10/555611610.db2.gz GKOLDVISKVBESQ-UHFFFAOYSA-N 0 0 498.004 4.938 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020037878 555611823 /nfs/dbraw/zinc/61/18/23/555611823.db2.gz MDQSWGMPYAWQOB-QGZVFWFLSA-N 0 0 455.407 4.607 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000020038342 555612146 /nfs/dbraw/zinc/61/21/46/555612146.db2.gz CZPUFZRLBPQQGH-UHFFFAOYSA-N 0 0 460.958 4.951 40 0 JJABRN COc1ccc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000020038706 555612494 /nfs/dbraw/zinc/61/24/94/555612494.db2.gz XBKRSEPBZGEVTG-UHFFFAOYSA-N 0 0 462.615 4.730 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020040898 555613616 /nfs/dbraw/zinc/61/36/16/555613616.db2.gz XLWDTVZCVVTGCD-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000020041702 555614036 /nfs/dbraw/zinc/61/40/36/555614036.db2.gz DZHZHYWKONRCIW-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020044354 555615635 /nfs/dbraw/zinc/61/56/35/555615635.db2.gz IPJBXLVOOJTGDE-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020045290 555616243 /nfs/dbraw/zinc/61/62/43/555616243.db2.gz QYUCPHGRFATEIA-MRXNPFEDSA-N 0 0 491.382 4.661 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020046482 555616898 /nfs/dbraw/zinc/61/68/98/555616898.db2.gz PGXDLLGJXYCAPB-UXHICEINSA-N 0 0 482.602 4.910 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020046957 555617192 /nfs/dbraw/zinc/61/71/92/555617192.db2.gz PQKRVDBLMSPJMW-XMMPIXPASA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000020047029 555617624 /nfs/dbraw/zinc/61/76/24/555617624.db2.gz SCMCBMFFBXJCMU-HNNXBMFYSA-N 0 0 454.514 4.552 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020049397 555619111 /nfs/dbraw/zinc/61/91/11/555619111.db2.gz RFPZMYSLSSTBKC-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000010110211 555619675 /nfs/dbraw/zinc/61/96/75/555619675.db2.gz AAOJSAJLGILJEE-UHFFFAOYSA-N 0 0 490.547 4.958 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000010110418 555620203 /nfs/dbraw/zinc/62/02/03/555620203.db2.gz HMAGIBVIQSWGTK-UHFFFAOYSA-N 0 0 490.547 4.958 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110425 555620212 /nfs/dbraw/zinc/62/02/12/555620212.db2.gz YDSLNQMQQFEKKG-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN COc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010110423 555620249 /nfs/dbraw/zinc/62/02/49/555620249.db2.gz PGUNTFSPLGUBSI-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000010110652 555620585 /nfs/dbraw/zinc/62/05/85/555620585.db2.gz FUHXQDJYMCABEW-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000010110656 555620590 /nfs/dbraw/zinc/62/05/90/555620590.db2.gz FXYOHAUJWABCNE-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000010110665 555620605 /nfs/dbraw/zinc/62/06/05/555620605.db2.gz HRDVAAMQVIUCQQ-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110909 555621201 /nfs/dbraw/zinc/62/12/01/555621201.db2.gz OLERCFYYJWUOJM-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000010110898 555621207 /nfs/dbraw/zinc/62/12/07/555621207.db2.gz JTDGGSORZOXPOQ-UHFFFAOYSA-N 0 0 487.021 4.683 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010111039 555621827 /nfs/dbraw/zinc/62/18/27/555621827.db2.gz HQRPCHSNKXFCAG-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c(C)c1 ZINC000010112355 555625350 /nfs/dbraw/zinc/62/53/50/555625350.db2.gz XEIQSUAPJVYPAT-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000010119869 555631816 /nfs/dbraw/zinc/63/18/16/555631816.db2.gz LYDQHLPIQOYIFU-UHFFFAOYSA-N 0 0 457.515 4.693 40 0 JJABRN c1ccc(N2CCN([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)cc1 ZINC000020098587 555633111 /nfs/dbraw/zinc/63/31/11/555633111.db2.gz UFZKACVMPZWCLV-AREMUKBSSA-N 0 0 453.594 4.638 40 0 JJABRN C[C@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2Cl)n1C)c1ccccc1 ZINC000013844374 555633153 /nfs/dbraw/zinc/63/31/53/555633153.db2.gz GIVSKHDLKUJZDM-ZDUSSCGKSA-N 0 0 451.379 4.670 40 0 JJABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C3CCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098441 555633248 /nfs/dbraw/zinc/63/32/48/555633248.db2.gz BMLIGWLMZLWKNG-MHZLTWQESA-N 0 0 467.621 4.865 40 0 JJABRN O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N(Cc1ccccc1)c1ccccc1 ZINC000010128181 555633643 /nfs/dbraw/zinc/63/36/43/555633643.db2.gz IJFLTCOGBKFTSX-BHHQIGSJSA-N 0 0 478.592 4.862 40 0 JJABRN O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)N(Cc1ccccc1)c1ccccc1 ZINC000010128177 555633660 /nfs/dbraw/zinc/63/36/60/555633660.db2.gz IJFLTCOGBKFTSX-JOMDOPAKSA-N 0 0 478.592 4.862 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000010128353 555633951 /nfs/dbraw/zinc/63/39/51/555633951.db2.gz KLEMJYNTUJHXIJ-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN O=C(Nc1ccccc1Br)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128630 555634223 /nfs/dbraw/zinc/63/42/23/555634223.db2.gz VYQFTEVTLLAMSA-FQEVSTJZSA-N 0 0 493.810 4.631 40 0 JJABRN CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128569 555634226 /nfs/dbraw/zinc/63/42/26/555634226.db2.gz IHOYQZITDVRBQD-JOCHJYFZSA-N 0 0 456.995 4.739 40 0 JJABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(OC)cc1 ZINC000020104424 555636747 /nfs/dbraw/zinc/63/67/47/555636747.db2.gz SKZAXNISJQQHEL-QHCPKHFHSA-N 0 0 452.576 4.994 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010146567 555637046 /nfs/dbraw/zinc/63/70/46/555637046.db2.gz LGNVUKMYUFSZMX-HXUWFJFHSA-N 0 0 479.385 4.530 40 0 JJABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000013871353 555637668 /nfs/dbraw/zinc/63/76/68/555637668.db2.gz GCTUNOBIOPPTKZ-CQSZACIVSA-N 0 0 460.987 4.910 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c(Cl)c2)cc1 ZINC000020104946 555637778 /nfs/dbraw/zinc/63/77/78/555637778.db2.gz SBWQHVMQVDRTSA-UHFFFAOYSA-N 0 0 483.977 4.828 40 0 JJABRN COc1ccc(C(=O)N2c3ccccc3[C@H](N(c3ccccc3)S(C)(=O)=O)C[C@@H]2C)cc1 ZINC000010153347 555637899 /nfs/dbraw/zinc/63/78/99/555637899.db2.gz UOHFLQUPSVHECI-MHECFPHRSA-N 0 0 450.560 4.642 40 0 JJABRN COc1ccc(C(=O)N2c3ccccc3[C@@H](N(c3ccccc3)S(C)(=O)=O)C[C@@H]2C)cc1 ZINC000010153341 555637950 /nfs/dbraw/zinc/63/79/50/555637950.db2.gz UOHFLQUPSVHECI-UUOWRZLLSA-N 0 0 450.560 4.642 40 0 JJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)c(C)c1 ZINC000013879418 555637993 /nfs/dbraw/zinc/63/79/93/555637993.db2.gz QHOVGPSXZMXOLD-UHFFFAOYSA-N 0 0 465.604 4.865 40 0 JJABRN COCc1nn2c(nnc3c2C[C@H](c2ccc(OC)c(OC)c2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156926 555638263 /nfs/dbraw/zinc/63/82/63/555638263.db2.gz HIUOIQHCJPWTPU-INIZCTEOSA-N 0 0 478.936 4.521 40 0 JJABRN COc1cc([C@H]2CC(=O)c3nnc4c(-c5ccccc5)c(C(C)C)nn4c3C2)cc(OC)c1OC ZINC000010156953 555638278 /nfs/dbraw/zinc/63/82/78/555638278.db2.gz NQTJTQHERPAZJP-QGZVFWFLSA-N 0 0 472.545 4.853 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020105130 555638433 /nfs/dbraw/zinc/63/84/33/555638433.db2.gz KYOBIPUHFVPDLH-XMMPIXPASA-N 0 0 470.566 4.682 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020105505 555638994 /nfs/dbraw/zinc/63/89/94/555638994.db2.gz WNMUUNQEQDLTAX-MRXNPFEDSA-N 0 0 489.852 4.847 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC ZINC000020107609 555641536 /nfs/dbraw/zinc/64/15/36/555641536.db2.gz PLALYXUCGAGFFU-QGZVFWFLSA-N 0 0 486.615 4.932 40 0 JJABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2)cc1 ZINC000020108220 555642811 /nfs/dbraw/zinc/64/28/11/555642811.db2.gz OYHVAQVYMYJHBR-UHFFFAOYSA-N 0 0 450.560 4.839 40 0 JJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020108493 555643432 /nfs/dbraw/zinc/64/34/32/555643432.db2.gz NNUAMPLOMATIGE-UHFFFAOYSA-N 0 0 483.977 4.516 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCC(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000013896999 555644186 /nfs/dbraw/zinc/64/41/86/555644186.db2.gz LVWVFTBNTRKKTK-ZCIIYCOQSA-N 0 0 468.903 4.887 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020109119 555644629 /nfs/dbraw/zinc/64/46/29/555644629.db2.gz OPCUZEMEKXOXSY-RUZDIDTESA-N 0 0 484.593 4.996 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC ZINC000020111903 555649026 /nfs/dbraw/zinc/64/90/26/555649026.db2.gz ACZPXZWGIFVOCY-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020111767 555649061 /nfs/dbraw/zinc/64/90/61/555649061.db2.gz KIKYIJGOPUDYBR-QGZVFWFLSA-N 0 0 456.589 4.924 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000020121330 555655195 /nfs/dbraw/zinc/65/51/95/555655195.db2.gz MYLUDHMSFZETLX-QHCPKHFHSA-N 0 0 478.597 4.805 40 0 JJABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(I)c1 ZINC000020137963 555661440 /nfs/dbraw/zinc/66/14/40/555661440.db2.gz STCPESBXLCGCIQ-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000014006481 555668514 /nfs/dbraw/zinc/66/85/14/555668514.db2.gz VQGABBHWHHYYCT-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(Br)c1 ZINC000020151822 555668944 /nfs/dbraw/zinc/66/89/44/555668944.db2.gz GOIBXOORWBOJHF-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl ZINC000020151991 555669109 /nfs/dbraw/zinc/66/91/09/555669109.db2.gz DLPJMOSHLOULON-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1ccc(CO)o1 ZINC000020152106 555669420 /nfs/dbraw/zinc/66/94/20/555669420.db2.gz FCJRQOTZGGVGPG-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)ccc1-c1ccc(CO)o1 ZINC000020152032 555669425 /nfs/dbraw/zinc/66/94/25/555669425.db2.gz QQODJRDJKCXKGO-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1-c1ccc(CO)o1 ZINC000020152069 555669458 /nfs/dbraw/zinc/66/94/58/555669458.db2.gz IFOYGTQAFQLMTI-UHFFFAOYSA-N 0 0 451.331 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2F)c2ccc(F)cc2)cc1 ZINC000010280820 555672276 /nfs/dbraw/zinc/67/22/76/555672276.db2.gz NLIIXQQDOYBLGL-UHFFFAOYSA-N 0 0 490.597 4.518 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCSCc2ccccc2F)cc1 ZINC000010281963 555672888 /nfs/dbraw/zinc/67/28/88/555672888.db2.gz CCQPKZMBUOTXBC-UHFFFAOYSA-N 0 0 490.597 4.594 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3)cc2)cc1 ZINC000014024228 555674399 /nfs/dbraw/zinc/67/43/99/555674399.db2.gz ATCOHQCEEKIJDD-HSZRJFAPSA-N 0 0 454.548 4.682 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294351 555674716 /nfs/dbraw/zinc/67/47/16/555674716.db2.gz NCNDJHFQNFXXDX-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010295800 555675490 /nfs/dbraw/zinc/67/54/90/555675490.db2.gz OATNLEGAIDEANV-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300628 555677550 /nfs/dbraw/zinc/67/75/50/555677550.db2.gz XONSWLXXTQZVPT-UHFFFAOYSA-N 0 0 482.602 4.799 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)Cc2ccccc2)cc1C ZINC000010301773 555678300 /nfs/dbraw/zinc/67/83/00/555678300.db2.gz NGJAJDMWXOPPTE-UHFFFAOYSA-N 0 0 484.643 4.945 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(SC)c2)Cc2ccccc2)cc1C ZINC000010301661 555678334 /nfs/dbraw/zinc/67/83/34/555678334.db2.gz FODCXKFBJWMELS-UHFFFAOYSA-N 0 0 484.643 4.945 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000010313913 555679116 /nfs/dbraw/zinc/67/91/16/555679116.db2.gz CFMHOZGKYOJHQD-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccccc3)c2C)cc1 ZINC000010314337 555679842 /nfs/dbraw/zinc/67/98/42/555679842.db2.gz ZFSKGXDOITWEAF-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000010314681 555680445 /nfs/dbraw/zinc/68/04/45/555680445.db2.gz YRLOORMNMGJCMQ-UHFFFAOYSA-N 0 0 465.575 4.530 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314629 555680546 /nfs/dbraw/zinc/68/05/46/555680546.db2.gz CMIBFDZNBJPANQ-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010314722 555680905 /nfs/dbraw/zinc/68/09/05/555680905.db2.gz WEMJVCXHQRIAKS-UHFFFAOYSA-N 0 0 465.575 4.530 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010325413 555684007 /nfs/dbraw/zinc/68/40/07/555684007.db2.gz SMHLGGJRXCQLHI-HXUWFJFHSA-N 0 0 493.629 4.742 40 0 JJABRN Cc1ccc(-c2csc(NC(=O)CSc3nnc(COc4ccccc4)n3C)n2)cc1 ZINC000014087544 555684751 /nfs/dbraw/zinc/68/47/51/555684751.db2.gz KJFCOZCRUKRQHU-UHFFFAOYSA-N 0 0 451.577 4.557 40 0 JJABRN CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014091717 555684943 /nfs/dbraw/zinc/68/49/43/555684943.db2.gz KRGKFKIHQICZTJ-UHFFFAOYSA-N 0 0 451.379 4.935 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010328517 555686563 /nfs/dbraw/zinc/68/65/63/555686563.db2.gz RGSHULKAZKCQMG-IBGZPJMESA-N 0 0 454.567 4.543 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010328520 555686565 /nfs/dbraw/zinc/68/65/65/555686565.db2.gz RGSHULKAZKCQMG-LJQANCHMSA-N 0 0 454.567 4.543 40 0 JJABRN Cc1cc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Br ZINC000010332645 555688632 /nfs/dbraw/zinc/68/86/32/555688632.db2.gz TVQIPQZWSWRHAW-ZDUSSCGKSA-N 0 0 459.793 4.513 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010333107 555688911 /nfs/dbraw/zinc/68/89/11/555688911.db2.gz KEXSXTRIBJJBGV-UHFFFAOYSA-N 0 0 497.592 4.526 40 0 JJABRN Cc1ccc(N(CCCC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000010333296 555688917 /nfs/dbraw/zinc/68/89/17/555688917.db2.gz DMCQWOSFYSODHM-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN COc1ccccc1CNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010333768 555689131 /nfs/dbraw/zinc/68/91/31/555689131.db2.gz WLHKRRSWKXJTHD-UHFFFAOYSA-N 0 0 493.412 4.898 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010333539 555689172 /nfs/dbraw/zinc/68/91/72/555689172.db2.gz SZPPCNKJFPTOAY-UHFFFAOYSA-N 0 0 472.607 4.622 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010334916 555690141 /nfs/dbraw/zinc/69/01/41/555690141.db2.gz ZFHIIJIPODKHOR-NRFANRHFSA-N 0 0 450.604 4.712 40 0 JJABRN CC(C)(C)SCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010335545 555690356 /nfs/dbraw/zinc/69/03/56/555690356.db2.gz LRSWUSDLKGDBIM-UHFFFAOYSA-N 0 0 455.045 4.568 40 0 JJABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)c1 ZINC000014116963 555692468 /nfs/dbraw/zinc/69/24/68/555692468.db2.gz SKTJUNXVVPNMBI-UHFFFAOYSA-N 0 0 465.604 4.865 40 0 JJABRN COc1ccc(N(CCCC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010338533 555692911 /nfs/dbraw/zinc/69/29/11/555692911.db2.gz KNGNMFVQSQVUFN-UHFFFAOYSA-N 0 0 487.021 4.801 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)c1 ZINC000010358747 555696178 /nfs/dbraw/zinc/69/61/78/555696178.db2.gz UFDWGUSKDXKUTD-MRXNPFEDSA-N 0 0 489.490 4.814 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010360741 555696774 /nfs/dbraw/zinc/69/67/74/555696774.db2.gz GHSNIUSEYXDOGN-GOSISDBHSA-N 0 0 465.575 4.576 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010361032 555696828 /nfs/dbraw/zinc/69/68/28/555696828.db2.gz HZNBHKSQVITIAK-IBGZPJMESA-N 0 0 479.602 4.885 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)c1C ZINC000014126139 555696826 /nfs/dbraw/zinc/69/68/26/555696826.db2.gz JTIUZNKHHWDVAH-UHFFFAOYSA-N 0 0 465.604 4.865 40 0 JJABRN CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000014126507 555697020 /nfs/dbraw/zinc/69/70/20/555697020.db2.gz BKZSWJLQALJNHC-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NS(=O)(=O)c1ccccc1 ZINC000010366741 555698197 /nfs/dbraw/zinc/69/81/97/555698197.db2.gz JVXZLGMKWPMMMU-UHFFFAOYSA-N 0 0 463.328 4.950 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000010369399 555699114 /nfs/dbraw/zinc/69/91/14/555699114.db2.gz PDQQCTJLLUDEPX-UHFFFAOYSA-N 0 0 489.062 4.969 40 0 JJABRN Cc1cccc(CSCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000010372013 555700059 /nfs/dbraw/zinc/70/00/59/555700059.db2.gz ALFUSQDITWGONH-UHFFFAOYSA-N 0 0 486.634 4.764 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1Cl ZINC000010433828 555708313 /nfs/dbraw/zinc/70/83/13/555708313.db2.gz WZRDZDDFKDKKNL-UHFFFAOYSA-N 0 0 464.893 4.552 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000014153300 555709122 /nfs/dbraw/zinc/70/91/22/555709122.db2.gz LEWQVDRHCFJDFH-UHFFFAOYSA-N 0 0 479.602 4.805 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014153610 555709705 /nfs/dbraw/zinc/70/97/05/555709705.db2.gz NHLIWNFAVODBJB-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000010443093 555711844 /nfs/dbraw/zinc/71/18/44/555711844.db2.gz YCRIKDTWENZPNO-UHFFFAOYSA-N 0 0 466.559 4.558 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 ZINC000010445062 555712754 /nfs/dbraw/zinc/71/27/54/555712754.db2.gz ZEWSIXAVSBMPAZ-UHFFFAOYSA-N 0 0 480.586 4.699 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000010446017 555712982 /nfs/dbraw/zinc/71/29/82/555712982.db2.gz VUTYZQJPSVCXQY-UHFFFAOYSA-N 0 0 487.405 4.663 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000014155099 555713059 /nfs/dbraw/zinc/71/30/59/555713059.db2.gz BGHDMWJJTCDGEO-UHFFFAOYSA-N 0 0 460.141 4.844 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446923 555713591 /nfs/dbraw/zinc/71/35/91/555713591.db2.gz PASWBQCPMGAIAR-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000010447914 555714178 /nfs/dbraw/zinc/71/41/78/555714178.db2.gz SZHTZRTTYBXUQU-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010448108 555714234 /nfs/dbraw/zinc/71/42/34/555714234.db2.gz ADNMEZLLPKUZFY-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)ccc2C)cc1 ZINC000014155891 555714754 /nfs/dbraw/zinc/71/47/54/555714754.db2.gz HKGHQVFUYGWNCK-UHFFFAOYSA-N 0 0 479.602 4.742 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010448917 555714778 /nfs/dbraw/zinc/71/47/78/555714778.db2.gz AWZPJFXMYCTLRB-UHFFFAOYSA-N 0 0 472.994 4.635 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000010448705 555714813 /nfs/dbraw/zinc/71/48/13/555714813.db2.gz LEAWKRPWCOZBFW-UHFFFAOYSA-N 0 0 484.643 4.627 40 0 JJABRN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 ZINC000010449072 555715086 /nfs/dbraw/zinc/71/50/86/555715086.db2.gz DUHAVIRKHVOVFM-UHFFFAOYSA-N 0 0 461.370 4.778 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2Cl)cc1 ZINC000010449516 555715353 /nfs/dbraw/zinc/71/53/53/555715353.db2.gz BIGXTZRYBFBZPR-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccc(C)cc2)cc1 ZINC000010449561 555715619 /nfs/dbraw/zinc/71/56/19/555715619.db2.gz QTCDBNLMZNZTOK-UHFFFAOYSA-N 0 0 464.587 4.568 40 0 JJABRN Cc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010449600 555715692 /nfs/dbraw/zinc/71/56/92/555715692.db2.gz LZMVWZKMJPOFSW-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010449711 555715941 /nfs/dbraw/zinc/71/59/41/555715941.db2.gz UNTJVEPYPJAHHG-KRWDZBQOSA-N 0 0 470.978 4.522 40 0 JJABRN O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)c(Cl)c1)CCN(Cc1ccccc1)C3 ZINC000014162715 555716788 /nfs/dbraw/zinc/71/67/88/555716788.db2.gz NXKHQILDKPQPRJ-UHFFFAOYSA-N 0 0 458.370 4.606 40 0 JJABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCC[C@H](C)C2)cc1 ZINC000010541462 555724543 /nfs/dbraw/zinc/72/45/43/555724543.db2.gz DVUPCFIDGTVENW-NRFANRHFSA-N 0 0 478.614 4.963 40 0 JJABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000010541459 555724610 /nfs/dbraw/zinc/72/46/10/555724610.db2.gz DVUPCFIDGTVENW-OAQYLSRUSA-N 0 0 478.614 4.963 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2cccc(C)c2)cc1 ZINC000020234877 555727121 /nfs/dbraw/zinc/72/71/21/555727121.db2.gz UGVWIYXRFONBEH-UHFFFAOYSA-N 0 0 468.644 4.548 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000020235111 555727395 /nfs/dbraw/zinc/72/73/95/555727395.db2.gz XNNLVGZLMHZHJB-UHFFFAOYSA-N 0 0 482.671 4.857 40 0 JJABRN Cc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020235498 555727940 /nfs/dbraw/zinc/72/79/40/555727940.db2.gz LWGCBSIHRXJXPQ-UHFFFAOYSA-N 0 0 487.419 4.578 40 0 JJABRN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000010692306 555733170 /nfs/dbraw/zinc/73/31/70/555733170.db2.gz FJKLKVHIDHHNCE-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000010692072 555733208 /nfs/dbraw/zinc/73/32/08/555733208.db2.gz VBSJEJFHUBRDGR-KRWDZBQOSA-N 0 0 483.461 4.673 40 0 JJABRN CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693110 555733758 /nfs/dbraw/zinc/73/37/58/555733758.db2.gz COLPGCDWRROYPA-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN COc1ccc(CN2C(=S)N(Cc3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000020248640 555743084 /nfs/dbraw/zinc/74/30/84/555743084.db2.gz QMJHTTOIKYVDJG-HSZRJFAPSA-N 0 0 495.551 4.500 40 0 JJABRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000014269421 555759248 /nfs/dbraw/zinc/75/92/48/555759248.db2.gz IFYAQEZUBYVYFT-UHFFFAOYSA-N 0 0 472.522 4.666 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1Br ZINC000014269667 555759792 /nfs/dbraw/zinc/75/97/92/555759792.db2.gz JZMCVECIOWDKKQ-UHFFFAOYSA-N 0 0 458.175 4.655 40 0 JJABRN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000011123330 555761551 /nfs/dbraw/zinc/76/15/51/555761551.db2.gz XSSFLQNELLLTCW-UHFFFAOYSA-N 0 0 483.033 4.970 40 0 JJABRN Cc1nc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Br ZINC000014270746 555763605 /nfs/dbraw/zinc/76/36/05/555763605.db2.gz SVLFGIVEFOHVHR-UHFFFAOYSA-N 0 0 456.365 4.858 40 0 JJABRN O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c(Cl)c1 ZINC000014270908 555764118 /nfs/dbraw/zinc/76/41/18/555764118.db2.gz HOABVMBKLBRFGF-UHFFFAOYSA-N 0 0 460.321 4.993 40 0 JJABRN CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccc(OC)cc4)cc3n2)cc1 ZINC000014270934 555764460 /nfs/dbraw/zinc/76/44/60/555764460.db2.gz WPLCOPDERRQTKF-NTEUORMPSA-N 0 0 471.586 4.826 40 0 JJABRN NC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014271087 555764960 /nfs/dbraw/zinc/76/49/60/555764960.db2.gz MMZJJMOZQSXFPT-JXMROGBWSA-N 0 0 460.342 4.879 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000014271803 555767666 /nfs/dbraw/zinc/76/76/66/555767666.db2.gz XQKAPMILWAOJIM-UHFFFAOYSA-N 0 0 457.814 4.525 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1Cl ZINC000014273408 555773041 /nfs/dbraw/zinc/77/30/41/555773041.db2.gz PCSKFASLEMEOTE-UHFFFAOYSA-N 0 0 450.366 4.703 40 0 JJABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 ZINC000014273582 555773921 /nfs/dbraw/zinc/77/39/21/555773921.db2.gz CPZQDFRBLNGOFK-UHFFFAOYSA-N 0 0 467.953 4.530 40 0 JJABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c1 ZINC000014273610 555773947 /nfs/dbraw/zinc/77/39/47/555773947.db2.gz KFSXUUXULQUTOE-UHFFFAOYSA-N 0 0 453.926 4.546 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)c(OC)c1 ZINC000014274827 555778139 /nfs/dbraw/zinc/77/81/39/555778139.db2.gz RTAVRQIUOAIBBI-UHFFFAOYSA-N 0 0 475.364 4.755 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)ccc3O)nc2c1 ZINC000014275183 555780119 /nfs/dbraw/zinc/78/01/19/555780119.db2.gz PKUJKIXHZGWLOP-UHFFFAOYSA-N 0 0 477.542 4.907 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 ZINC000014275815 555782043 /nfs/dbraw/zinc/78/20/43/555782043.db2.gz BNNGULFEKPGEQP-UHFFFAOYSA-N 0 0 489.601 4.996 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)c3)nn12 ZINC000014276390 555783432 /nfs/dbraw/zinc/78/34/32/555783432.db2.gz PARNKPMKBVDZAE-SOFGYWHQSA-N 0 0 489.413 4.994 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000014276710 555784251 /nfs/dbraw/zinc/78/42/51/555784251.db2.gz KXUQORYDOKIIRX-UHFFFAOYSA-N 0 0 499.851 4.832 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000014276768 555784522 /nfs/dbraw/zinc/78/45/22/555784522.db2.gz CNMGQKZECIIMCI-UHFFFAOYSA-N 0 0 481.021 4.679 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccc(F)c1 ZINC000014276985 555784759 /nfs/dbraw/zinc/78/47/59/555784759.db2.gz FRSGJIVAIZCBBY-UHFFFAOYSA-N 0 0 496.995 4.568 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccs1 ZINC000014276997 555784832 /nfs/dbraw/zinc/78/48/32/555784832.db2.gz IDSXBJFYMIBLMS-UHFFFAOYSA-N 0 0 491.063 4.552 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000014277221 555785497 /nfs/dbraw/zinc/78/54/97/555785497.db2.gz BYRMHLXCWNLNQJ-XVNBXDOJSA-N 0 0 483.852 4.925 40 0 JJABRN O=C(Nc1nc2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2s1)c1ccco1 ZINC000020411128 555788452 /nfs/dbraw/zinc/78/84/52/555788452.db2.gz BAKHWVSVXDMBJX-UHFFFAOYSA-N 0 0 456.936 4.922 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1OC ZINC000020412069 555789859 /nfs/dbraw/zinc/78/98/59/555789859.db2.gz AFRVGWNWXSKATO-UHFFFAOYSA-N 0 0 493.541 4.656 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2Cl)CC1 ZINC000014279288 555790782 /nfs/dbraw/zinc/79/07/82/555790782.db2.gz BWZRNGLECTUISK-UHFFFAOYSA-N 0 0 494.817 4.812 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c(C)c1 ZINC000014279411 555791130 /nfs/dbraw/zinc/79/11/30/555791130.db2.gz SDWBYRLZGRHOPZ-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000020461224 555791391 /nfs/dbraw/zinc/79/13/91/555791391.db2.gz MJFKHCHSLGHCPO-UHFFFAOYSA-N 0 0 463.386 4.890 40 0 JJABRN COc1ccccc1C(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000014291214 555792576 /nfs/dbraw/zinc/79/25/76/555792576.db2.gz KCGZQWOTEQICFW-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1C ZINC000020528535 555792647 /nfs/dbraw/zinc/79/26/47/555792647.db2.gz DSZOIIRRHXXWOV-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccccc3C)CC2)cc1 ZINC000014291256 555792882 /nfs/dbraw/zinc/79/28/82/555792882.db2.gz GJYNVJKMIYCWKN-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291271 555793157 /nfs/dbraw/zinc/79/31/57/555793157.db2.gz VWCGAEUFRPBTPA-UHFFFAOYSA-N 0 0 493.991 4.637 40 0 JJABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)c1 ZINC000020528758 555793232 /nfs/dbraw/zinc/79/32/32/555793232.db2.gz HWKBPCQEXAMAGC-MDWZMJQESA-N 0 0 469.585 4.683 40 0 JJABRN CCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)c1 ZINC000020528850 555793273 /nfs/dbraw/zinc/79/32/73/555793273.db2.gz SBUSFRFHEWMJLG-UHFFFAOYSA-N 0 0 457.574 4.862 40 0 JJABRN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020528943 555793582 /nfs/dbraw/zinc/79/35/82/555793582.db2.gz ITRFOJXKOPCFFP-ZDUSSCGKSA-N 0 0 490.309 4.610 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000014396210 555801852 /nfs/dbraw/zinc/80/18/52/555801852.db2.gz AVPRKKZJRDFBKG-UHFFFAOYSA-N 0 0 453.750 4.971 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000014397687 555803258 /nfs/dbraw/zinc/80/32/58/555803258.db2.gz LSOJHPNFIDCLQZ-UHFFFAOYSA-N 0 0 493.453 4.728 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000014398944 555804599 /nfs/dbraw/zinc/80/45/99/555804599.db2.gz ZIWUXMHNPUHDON-UHFFFAOYSA-N 0 0 454.548 4.602 40 0 JJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000014399207 555804925 /nfs/dbraw/zinc/80/49/25/555804925.db2.gz ASERLXIWHDWGOC-QHCPKHFHSA-N 0 0 468.575 4.909 40 0 JJABRN CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000014405110 555807650 /nfs/dbraw/zinc/80/76/50/555807650.db2.gz LBFYDUNNEVJFIN-UHFFFAOYSA-N 0 0 467.529 4.952 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000014411030 555810092 /nfs/dbraw/zinc/81/00/92/555810092.db2.gz XREFKSIPXQTADA-UHFFFAOYSA-N 0 0 480.920 4.769 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000014411604 555810596 /nfs/dbraw/zinc/81/05/96/555810596.db2.gz GJYXRSAVPLUQEN-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000014412426 555811398 /nfs/dbraw/zinc/81/13/98/555811398.db2.gz BSDUMOLUBZKTOO-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000014412510 555811748 /nfs/dbraw/zinc/81/17/48/555811748.db2.gz IFSYIDHEBOUAHJ-UHFFFAOYSA-N 0 0 472.950 4.512 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 ZINC000014413331 555812624 /nfs/dbraw/zinc/81/26/24/555812624.db2.gz YKCYXSGAFZLRSA-UHFFFAOYSA-N 0 0 478.492 4.938 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC000014413733 555813006 /nfs/dbraw/zinc/81/30/06/555813006.db2.gz YEQFFAQCHAAIAQ-UHFFFAOYSA-N 0 0 455.407 4.958 40 0 JJABRN CCCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414721 555813539 /nfs/dbraw/zinc/81/35/39/555813539.db2.gz GFSYFRRACBIMPA-UHFFFAOYSA-N 0 0 457.423 4.636 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014428071 555814187 /nfs/dbraw/zinc/81/41/87/555814187.db2.gz GHUUMNIEFPHBSD-UHFFFAOYSA-N 0 0 452.576 4.708 40 0 JJABRN CCCOc1ccc(N2C(=O)C[C@H](N3CCS[C@@H]3c3ccc(Br)cc3)C2=O)cc1 ZINC000020595527 555838985 /nfs/dbraw/zinc/83/89/85/555838985.db2.gz FDWYAGMYONTKSD-SIKLNZKXSA-N 0 0 475.408 4.617 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000015002707 555847678 /nfs/dbraw/zinc/84/76/78/555847678.db2.gz UANPKYLZMBRJLK-UHFFFAOYSA-N 0 0 468.884 4.587 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2OCC)o1 ZINC000021545602 555851212 /nfs/dbraw/zinc/85/12/12/555851212.db2.gz QYDFUAGDXJLRHS-UHFFFAOYSA-N 0 0 461.565 4.721 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)c(OC)c1 ZINC000021572384 555851216 /nfs/dbraw/zinc/85/12/16/555851216.db2.gz ILMLSSITIYLBRY-UHFFFAOYSA-N 0 0 464.341 4.556 40 0 JJABRN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c1 ZINC000021576908 555851585 /nfs/dbraw/zinc/85/15/85/555851585.db2.gz OLGDWDUIKRUXCW-UHFFFAOYSA-N 0 0 485.540 4.665 40 0 JJABRN CSc1nnc2c(n1)O[C@H](c1ccc(O)c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000015016396 555857741 /nfs/dbraw/zinc/85/77/41/555857741.db2.gz BEISWKNSULKDSX-OAHLLOKOSA-N 0 0 496.184 4.994 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3ON(c4cccc(Br)c4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000015024618 555864679 /nfs/dbraw/zinc/86/46/79/555864679.db2.gz VSXXGGUJNSHFKH-VABKMULXSA-N 0 0 493.357 4.817 40 0 JJABRN CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000015080563 555872384 /nfs/dbraw/zinc/87/23/84/555872384.db2.gz DFXPWTHCOHVSOB-QFIPXVFZSA-N 0 0 475.511 4.703 40 0 JJABRN CCCc1n[nH]c(=S)n1NCc1cc(Br)cc(Br)c1OCC ZINC000022109956 555876949 /nfs/dbraw/zinc/87/69/49/555876949.db2.gz XTVMXRRMJPOEFP-UHFFFAOYSA-N 0 0 450.200 4.561 40 0 JJABRN CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Br)c1OCc1ccccc1 ZINC000022110410 555877322 /nfs/dbraw/zinc/87/73/22/555877322.db2.gz XMHYTDXSJHOIJE-UHFFFAOYSA-N 0 0 463.401 4.987 40 0 JJABRN COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000022111260 555878590 /nfs/dbraw/zinc/87/85/90/555878590.db2.gz GGFSXYFVQCQPDY-UHFFFAOYSA-N 0 0 483.981 4.996 40 0 JJABRN Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)cc3s2)c1C ZINC000015218635 555884764 /nfs/dbraw/zinc/88/47/64/555884764.db2.gz ABUGALYCXBAKRO-IAAUVJCUSA-N 0 0 489.622 4.955 40 0 JJABRN O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000022226895 555886145 /nfs/dbraw/zinc/88/61/45/555886145.db2.gz DEJGLZRLXDKBJD-UHFFFAOYSA-N 0 0 476.642 4.788 40 0 JJABRN CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000015228186 555887925 /nfs/dbraw/zinc/88/79/25/555887925.db2.gz OUTCFAZKPUZQJY-OAQYLSRUSA-N 0 0 455.555 4.615 40 0 JJABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000022230216 555889169 /nfs/dbraw/zinc/88/91/69/555889169.db2.gz XNZMGFLAVJRCRI-QFIPXVFZSA-N 0 0 466.559 4.588 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231050 555889374 /nfs/dbraw/zinc/88/93/74/555889374.db2.gz INUCBTQMVPOZHI-UHFFFAOYSA-N 0 0 452.576 4.541 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022231117 555889385 /nfs/dbraw/zinc/88/93/85/555889385.db2.gz ODGPRMJZVCDTGS-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000022231114 555889454 /nfs/dbraw/zinc/88/94/54/555889454.db2.gz BLCNOJPTBRZMSY-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022231405 555889994 /nfs/dbraw/zinc/88/99/94/555889994.db2.gz FXEHLQFSKPVSDO-SFHVURJKSA-N 0 0 472.994 4.562 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000022231445 555890037 /nfs/dbraw/zinc/89/00/37/555890037.db2.gz ZTWQERLTRISULF-LJQANCHMSA-N 0 0 484.643 4.631 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022231603 555890283 /nfs/dbraw/zinc/89/02/83/555890283.db2.gz KSDWLGHQYBPHKS-UHFFFAOYSA-N 0 0 452.576 4.541 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231686 555890592 /nfs/dbraw/zinc/89/05/92/555890592.db2.gz NOPQGWAPVYRVDK-UHFFFAOYSA-N 0 0 492.519 4.998 40 0 JJABRN COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000015262976 555891015 /nfs/dbraw/zinc/89/10/15/555891015.db2.gz TXYYQDWCZWDYDW-YBEGLDIGSA-N 0 0 468.259 4.614 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000022231946 555891141 /nfs/dbraw/zinc/89/11/41/555891141.db2.gz PJGVYNDTSOKDBT-SANMLTNESA-N 0 0 478.614 4.534 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232205 555891451 /nfs/dbraw/zinc/89/14/51/555891451.db2.gz OWUMYDCJWINOFF-UHFFFAOYSA-N 0 0 488.993 4.722 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000022232572 555891930 /nfs/dbraw/zinc/89/19/30/555891930.db2.gz PYNRNCPLGDLWTA-UHFFFAOYSA-N 0 0 478.545 4.963 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232601 555891962 /nfs/dbraw/zinc/89/19/62/555891962.db2.gz VLTGLACAMRSWNW-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000022233351 555893354 /nfs/dbraw/zinc/89/33/54/555893354.db2.gz OGAVFRFODHLJJT-UHFFFAOYSA-N 0 0 498.910 4.741 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022233819 555894177 /nfs/dbraw/zinc/89/41/77/555894177.db2.gz VOFFILICPUBRFE-KRWDZBQOSA-N 0 0 490.984 4.702 40 0 JJABRN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320803 555897798 /nfs/dbraw/zinc/89/77/98/555897798.db2.gz HVFTUFULRVDWHI-JOCHJYFZSA-N 0 0 495.004 4.665 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000022248376 555898955 /nfs/dbraw/zinc/89/89/55/555898955.db2.gz ZWMZUZIAMLGRML-OAQYLSRUSA-N 0 0 494.947 4.545 40 0 JJABRN O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015349823 555899969 /nfs/dbraw/zinc/89/99/69/555899969.db2.gz QBFKDNNSYRHGIS-UHFFFAOYSA-N 0 0 473.392 4.642 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)c(C)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253379 555901475 /nfs/dbraw/zinc/90/14/75/555901475.db2.gz VNTCOLMJTOMLRH-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2Cl)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253413 555901854 /nfs/dbraw/zinc/90/18/54/555901854.db2.gz UGSCSYYVHOCHTB-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN COc1cc(C(=O)Nc2c(C)cccc2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254409 555902933 /nfs/dbraw/zinc/90/29/33/555902933.db2.gz NKBBUPPLVIWETB-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1C ZINC000022268248 555907002 /nfs/dbraw/zinc/90/70/02/555907002.db2.gz FGDHPWGYCUKLBY-DEOSSOPVSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000022268371 555907272 /nfs/dbraw/zinc/90/72/72/555907272.db2.gz OXDMDEJTWXVVSU-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1C ZINC000022268355 555907324 /nfs/dbraw/zinc/90/73/24/555907324.db2.gz GAQWIVRIMCGGPD-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000022269452 555908330 /nfs/dbraw/zinc/90/83/30/555908330.db2.gz HNCBKOQYJJFDBN-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1Cl ZINC000022269485 555908331 /nfs/dbraw/zinc/90/83/31/555908331.db2.gz WTLHUEYARNSYKW-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1Cl ZINC000022269491 555908333 /nfs/dbraw/zinc/90/83/33/555908333.db2.gz BBITYUCUPNYJDS-QHCPKHFHSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2CC)cc1Cl ZINC000022269500 555908348 /nfs/dbraw/zinc/90/83/48/555908348.db2.gz RFEGBHKFFDANCD-HSZRJFAPSA-N 0 0 487.021 4.829 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(F)cccc2F)cc1Cl ZINC000022269588 555908629 /nfs/dbraw/zinc/90/86/29/555908629.db2.gz QBOLORFPWWXSME-FQEVSTJZSA-N 0 0 494.947 4.545 40 0 JJABRN Cc1ccc(C)c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274300 555911011 /nfs/dbraw/zinc/91/10/11/555911011.db2.gz MOFFRMCACVDPEC-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN COc1ccc(OC)c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000022274532 555911235 /nfs/dbraw/zinc/91/12/35/555911235.db2.gz GTFTYYZLJBXXCV-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022274552 555911294 /nfs/dbraw/zinc/91/12/94/555911294.db2.gz RAQLRTYDFBKHKU-UHFFFAOYSA-N 0 0 476.554 4.691 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 ZINC000022274671 555911558 /nfs/dbraw/zinc/91/15/58/555911558.db2.gz OISIDJSTNSRODV-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 ZINC000022274674 555911601 /nfs/dbraw/zinc/91/16/01/555911601.db2.gz GCNUMFHQEJSRMT-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022274878 555911842 /nfs/dbraw/zinc/91/18/42/555911842.db2.gz RBAFAHAIUQEMNQ-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022275126 555912214 /nfs/dbraw/zinc/91/22/14/555912214.db2.gz MKELFKSHAVUWSJ-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275523 555912393 /nfs/dbraw/zinc/91/23/93/555912393.db2.gz SAIBIBPMJAFSDE-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(C(C)C)cc2)cc1 ZINC000022275687 555912732 /nfs/dbraw/zinc/91/27/32/555912732.db2.gz ZJOZTLZJPDKDON-UHFFFAOYSA-N 0 0 450.604 4.673 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000022276378 555913754 /nfs/dbraw/zinc/91/37/54/555913754.db2.gz VGMVXCKWQUOUMU-UHFFFAOYSA-N 0 0 487.419 4.611 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000022276994 555914650 /nfs/dbraw/zinc/91/46/50/555914650.db2.gz QVCPVCMNMITXNX-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022277207 555914907 /nfs/dbraw/zinc/91/49/07/555914907.db2.gz RCDLZGKRSXQXEC-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022277815 555915436 /nfs/dbraw/zinc/91/54/36/555915436.db2.gz GEVRTWCNWLUDCH-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COc1ccc(OC)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022278045 555915684 /nfs/dbraw/zinc/91/56/84/555915684.db2.gz SWLTTYSMJXNPFI-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022278087 555915988 /nfs/dbraw/zinc/91/59/88/555915988.db2.gz WVUXJUPAPCPHRU-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022278554 555916528 /nfs/dbraw/zinc/91/65/28/555916528.db2.gz LQLXHISJKKUTEX-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281666 555917108 /nfs/dbraw/zinc/91/71/08/555917108.db2.gz LXWOESAXBGEMAF-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022303795 555919144 /nfs/dbraw/zinc/91/91/44/555919144.db2.gz JWWWZESKMGWBIV-QFIPXVFZSA-N 0 0 454.979 4.729 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022304210 555919152 /nfs/dbraw/zinc/91/91/52/555919152.db2.gz AXAPTLIMCUXXTJ-HSZRJFAPSA-N 0 0 472.994 4.811 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022351362 555924135 /nfs/dbraw/zinc/92/41/35/555924135.db2.gz ABAGYRFUCHHSRN-UHFFFAOYSA-N 0 0 456.589 4.560 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2)cc1 ZINC000022370469 555926547 /nfs/dbraw/zinc/92/65/47/555926547.db2.gz YETGBYDNQVUXNU-RUZDIDTESA-N 0 0 482.577 4.614 40 0 JJABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(I)cc1 ZINC000022393084 555928937 /nfs/dbraw/zinc/92/89/37/555928937.db2.gz YWGNCMWRZRFCIO-UHFFFAOYSA-N 0 0 457.358 4.787 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022523998 555931288 /nfs/dbraw/zinc/93/12/88/555931288.db2.gz XSBRWWOHPJEHAQ-UHFFFAOYSA-N 0 0 485.993 4.841 40 0 JJABRN COC(=O)c1cccc(NC(=S)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(F)cc4)c3C)C2)c1 ZINC000015673910 555932883 /nfs/dbraw/zinc/93/28/83/555932883.db2.gz MRGVACMSTNEBCP-DYESRHJHSA-N 0 0 464.566 4.814 40 0 biogenic,in-vitro JJABRN COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022534661 555933016 /nfs/dbraw/zinc/93/30/16/555933016.db2.gz MUUJXLDTCBOKJT-UHFFFAOYSA-N 0 0 452.919 4.880 40 0 JJABRN COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675528 555933874 /nfs/dbraw/zinc/93/38/74/555933874.db2.gz MMJSNWXPECZLIP-FQEVSTJZSA-N 0 0 455.440 4.787 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675920 555935373 /nfs/dbraw/zinc/93/53/73/555935373.db2.gz FCIHOCDOWPTOLG-QHCPKHFHSA-N 0 0 451.486 4.561 40 0 biogenic,in-vitro JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000022567124 555936552 /nfs/dbraw/zinc/93/65/52/555936552.db2.gz WRTVZARHHQLWGF-UHFFFAOYSA-N 0 0 459.550 4.845 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000022571704 555937691 /nfs/dbraw/zinc/93/76/91/555937691.db2.gz VJLIDTOZJZVQGL-UHFFFAOYSA-N 0 0 462.984 4.824 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1 ZINC000022580105 555939666 /nfs/dbraw/zinc/93/96/66/555939666.db2.gz YNBPCJGHDYVCDP-UHFFFAOYSA-N 0 0 468.360 4.824 40 0 JJABRN COc1cc(CN(C(=O)c2cccc(OCC(C)C)c2)C2CCCCC2)ccc1OCC(N)=O ZINC000022704630 555942591 /nfs/dbraw/zinc/94/25/91/555942591.db2.gz TWFJTDKVCJQRSH-UHFFFAOYSA-N 0 0 468.594 4.569 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1Cl ZINC000022706259 555943494 /nfs/dbraw/zinc/94/34/94/555943494.db2.gz SPCQCHBKXPRVSX-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Br)c(C)n1 ZINC000022715490 555947170 /nfs/dbraw/zinc/94/71/70/555947170.db2.gz RGXMWCFGBWWBAX-UHFFFAOYSA-N 0 0 478.966 4.938 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(I)c2)cc1 ZINC000022743604 555950216 /nfs/dbraw/zinc/95/02/16/555950216.db2.gz WZDWCRHWMWYQSV-UHFFFAOYSA-N 0 0 486.309 4.710 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1Br ZINC000022754476 555953423 /nfs/dbraw/zinc/95/34/23/555953423.db2.gz PIXPMYKTZGJCLS-UHFFFAOYSA-N 0 0 495.329 4.909 40 0 JJABRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)CC1 ZINC000012384078 555972636 /nfs/dbraw/zinc/97/26/36/555972636.db2.gz CNKBXMXPTYRIIV-GVAFMPQTSA-N 0 0 468.252 4.840 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@H]3C)cc12 ZINC000012470111 555981932 /nfs/dbraw/zinc/98/19/32/555981932.db2.gz PBDNMFGDGKZSLT-CJAUYULYSA-N 0 0 454.578 4.787 40 0 JJABRN CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000023292165 556038032 /nfs/dbraw/zinc/03/80/32/556038032.db2.gz VIQIXSZJUDRTPS-RUZDIDTESA-N 0 0 479.646 4.917 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000015892488 556061079 /nfs/dbraw/zinc/06/10/79/556061079.db2.gz XTQLSJGGRCOJIL-UHFFFAOYSA-N 0 0 475.364 4.819 40 0 JJABRN Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 ZINC000012857701 556118412 /nfs/dbraw/zinc/11/84/12/556118412.db2.gz UHGUGUJVBLVVES-UHFFFAOYSA-N 0 0 469.994 4.690 40 0 JJABRN COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4ccc(Cl)cc4)n23)c1 ZINC000012878889 556122696 /nfs/dbraw/zinc/12/26/96/556122696.db2.gz KDHIMCJJMWMEQO-UHFFFAOYSA-N 0 0 460.968 4.859 40 0 JJABRN CCOc1cc(C=C2SC(Nc3ccc(OC)cc3)=NC2=O)cc(Br)c1OC ZINC000016440283 556139224 /nfs/dbraw/zinc/13/92/24/556139224.db2.gz JNCFAMPWELWLQM-BOPFTXTBSA-N 0 0 463.353 4.947 40 0 JJABRN CCOc1c(Br)cc(C=C2SC(Nc3ccc(OC)cc3)=NC2=O)cc1OC ZINC000016440285 556139249 /nfs/dbraw/zinc/13/92/49/556139249.db2.gz QEODHQPKGLGYFO-BOPFTXTBSA-N 0 0 463.353 4.947 40 0 JJABRN Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000024666833 556145037 /nfs/dbraw/zinc/14/50/37/556145037.db2.gz SGRZIXDGMFWHNR-UHFFFAOYSA-N 0 0 452.761 4.785 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000016687870 556151819 /nfs/dbraw/zinc/15/18/19/556151819.db2.gz MWUXZJMSUMNAFU-UHFFFAOYSA-N 0 0 452.319 4.951 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013023629 556212936 /nfs/dbraw/zinc/21/29/36/556212936.db2.gz KXKLLPYAIHMLLJ-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013023753 556213283 /nfs/dbraw/zinc/21/32/83/556213283.db2.gz ZQBIJRGXBOJGSI-XMMPIXPASA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024218 556213867 /nfs/dbraw/zinc/21/38/67/556213867.db2.gz RIHGUVDKGPKOES-SANMLTNESA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024715 556214821 /nfs/dbraw/zinc/21/48/21/556214821.db2.gz XSYQROLFXMAXGK-RUZDIDTESA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2 ZINC000013024869 556215196 /nfs/dbraw/zinc/21/51/96/556215196.db2.gz LQFYSXRUCQGKCW-NDEPHWFRSA-N 0 0 495.627 4.999 40 0 JJABRN COc1ccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000013025554 556216383 /nfs/dbraw/zinc/21/63/83/556216383.db2.gz JGBHZJLQHNZZNG-XMMPIXPASA-N 0 0 482.602 4.843 40 0 JJABRN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OCc1ccc(F)cc1 ZINC000017086315 556216690 /nfs/dbraw/zinc/21/66/90/556216690.db2.gz BTASSAQRSMUZDW-RUZDIDTESA-N 0 0 485.519 4.932 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013025950 556217195 /nfs/dbraw/zinc/21/71/95/556217195.db2.gz JBAGPDDDSMLKDN-VWLOTQADSA-N 0 0 492.572 4.748 40 0 JJABRN COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000013026310 556218147 /nfs/dbraw/zinc/21/81/47/556218147.db2.gz YXESFGOMKHOVAO-AREMUKBSSA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1OC ZINC000013026365 556218402 /nfs/dbraw/zinc/21/84/02/556218402.db2.gz GSQQRVGTUJFUQG-XMMPIXPASA-N 0 0 466.509 4.883 40 0 JJABRN CCOC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)cc2)c1 ZINC000013026567 556218983 /nfs/dbraw/zinc/21/89/83/556218983.db2.gz CQNQPSMAOKEWKF-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013028483 556222117 /nfs/dbraw/zinc/22/21/17/556222117.db2.gz XXHDQOMWMCAORT-AREMUKBSSA-N 0 0 487.579 4.564 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000013028633 556222547 /nfs/dbraw/zinc/22/25/47/556222547.db2.gz LNGYEJBINSDGTD-HHHXNRCGSA-N 0 0 485.588 4.552 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000013028963 556223292 /nfs/dbraw/zinc/22/32/92/556223292.db2.gz SVPKJLROUZMZOY-AREMUKBSSA-N 0 0 487.579 4.822 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccsc1 ZINC000013029401 556223625 /nfs/dbraw/zinc/22/36/25/556223625.db2.gz KEHMWAMITUTBCJ-RUZDIDTESA-N 0 0 473.602 4.635 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013029475 556223844 /nfs/dbraw/zinc/22/38/44/556223844.db2.gz DBGFFOQKTSPISC-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)c1 ZINC000013029553 556223891 /nfs/dbraw/zinc/22/38/91/556223891.db2.gz DOQXPVFORNMPNV-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013029571 556223907 /nfs/dbraw/zinc/22/39/07/556223907.db2.gz AZGTWGVCVZJKTO-NDEPHWFRSA-N 0 0 481.600 4.881 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)c1 ZINC000013029799 556224545 /nfs/dbraw/zinc/22/45/45/556224545.db2.gz GKXURWTVGNNKTK-MUUNZHRXSA-N 0 0 497.599 4.582 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2cccc(C)c2)c1 ZINC000013029808 556224556 /nfs/dbraw/zinc/22/45/56/556224556.db2.gz ZRDSPDQBWKORDF-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030097 556224738 /nfs/dbraw/zinc/22/47/38/556224738.db2.gz QOSAFDNGOWZZBW-AREMUKBSSA-N 0 0 489.526 4.543 40 0 JJABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013030158 556225080 /nfs/dbraw/zinc/22/50/80/556225080.db2.gz DXSGXVWBSYHBQF-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030186 556225121 /nfs/dbraw/zinc/22/51/21/556225121.db2.gz CRZAWBGISVXXBW-HHHXNRCGSA-N 0 0 485.563 4.712 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013031167 556226923 /nfs/dbraw/zinc/22/69/23/556226923.db2.gz VPIPDSLZNDKJAJ-MUUNZHRXSA-N 0 0 498.631 4.887 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1C ZINC000013031482 556228052 /nfs/dbraw/zinc/22/80/52/556228052.db2.gz GUYAYOCCRZEMIM-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013032479 556231446 /nfs/dbraw/zinc/23/14/46/556231446.db2.gz ANWYLGFGOVMUAX-HSZRJFAPSA-N 0 0 479.968 4.757 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013032625 556231803 /nfs/dbraw/zinc/23/18/03/556231803.db2.gz XSVHTUOQLITPGS-XMMPIXPASA-N 0 0 491.617 4.581 40 0 JJABRN COC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017194870 556238072 /nfs/dbraw/zinc/23/80/72/556238072.db2.gz GZJNZEIEHIZICR-LLVKDONJSA-N 0 0 492.142 4.626 40 0 JJABRN COC(=O)[C@@H](CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000017197204 556238907 /nfs/dbraw/zinc/23/89/07/556238907.db2.gz AIVPBQFJQLZJJC-NRFANRHFSA-N 0 0 452.551 4.567 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCc2ccccc21 ZINC000026110832 556242915 /nfs/dbraw/zinc/24/29/15/556242915.db2.gz MQGJYFMDIQNCEZ-KRWDZBQOSA-N 0 0 467.418 4.515 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118464 556247939 /nfs/dbraw/zinc/24/79/39/556247939.db2.gz TXQWSOUFEKKWEE-UHFFFAOYSA-N 0 0 492.732 4.801 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C(=O)N1CCCCCC1 ZINC000026119859 556248431 /nfs/dbraw/zinc/24/84/31/556248431.db2.gz AQUFTHDILHQPFP-UHFFFAOYSA-N 0 0 478.705 4.804 40 0 JJABRN CSc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026120207 556248807 /nfs/dbraw/zinc/24/88/07/556248807.db2.gz QUMPGLGASPJSTB-UHFFFAOYSA-N 0 0 450.651 4.947 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 ZINC000017482624 556261457 /nfs/dbraw/zinc/26/14/57/556261457.db2.gz MNAKVWPIRFALQB-UHFFFAOYSA-N 0 0 461.798 4.995 40 0 JJABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)ccc1O ZINC000027095275 556273831 /nfs/dbraw/zinc/27/38/31/556273831.db2.gz ZLJDHEARFUJMGO-QTTRZTASSA-N 0 0 498.579 4.562 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018006709 556275411 /nfs/dbraw/zinc/27/54/11/556275411.db2.gz BLTQNZDLBFLECQ-FSSWDIPSSA-N 0 0 468.431 4.765 40 0 JJABRN Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[nH]3)CC2)cc1 ZINC000013083142 556279177 /nfs/dbraw/zinc/27/91/77/556279177.db2.gz KCRYJMBEYWTODO-UHFFFAOYSA-N 0 0 499.619 4.993 40 0 JJABRN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1 ZINC000013083255 556279463 /nfs/dbraw/zinc/27/94/63/556279463.db2.gz SJTCCGUUYBOZGL-UHFFFAOYSA-N 0 0 490.567 4.662 40 0 JJABRN O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083633 556280251 /nfs/dbraw/zinc/28/02/51/556280251.db2.gz TVPSKXBLSASZRW-OAHLLOKOSA-N 0 0 489.407 4.568 40 0 JJABRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)C2)c1 ZINC000013083623 556280375 /nfs/dbraw/zinc/28/03/75/556280375.db2.gz RQGVJYVBQLKAJW-MRXNPFEDSA-N 0 0 497.386 4.610 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018176052 556298247 /nfs/dbraw/zinc/29/82/47/556298247.db2.gz ICACOPHHXSRWJD-GSDHBNRESA-N 0 0 450.494 4.900 40 0 JJABRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1Cl ZINC000027838828 556309071 /nfs/dbraw/zinc/30/90/71/556309071.db2.gz VAYUVQLZERPTEA-UHFFFAOYSA-N 0 0 471.995 4.969 40 0 JJABRN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1C ZINC000027906249 556309542 /nfs/dbraw/zinc/30/95/42/556309542.db2.gz RTEYJIDPFPPVSN-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc2C)c1 ZINC000027916971 556310228 /nfs/dbraw/zinc/31/02/28/556310228.db2.gz PZYCCLBNGNVYIS-UHFFFAOYSA-N 0 0 491.613 4.983 40 0 JJABRN COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](c5ccccc5)C[C@@H]4C3=O)c2)cc1 ZINC000018244583 556314740 /nfs/dbraw/zinc/31/47/40/556314740.db2.gz RDIASICPXOKECE-MZBJOSPHSA-N 0 0 497.547 4.808 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)c1)c1ccc(F)cc1 ZINC000018244577 556314778 /nfs/dbraw/zinc/31/47/78/556314778.db2.gz PIZLGFNLLCQXQH-DCEDVJGZSA-N 0 0 485.511 4.939 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000028208467 556318801 /nfs/dbraw/zinc/31/88/01/556318801.db2.gz FEWUMSODLVJSMB-UHFFFAOYSA-N 0 0 464.631 4.879 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000028208515 556318848 /nfs/dbraw/zinc/31/88/48/556318848.db2.gz DSMCFWGJRKSMEM-UHFFFAOYSA-N 0 0 450.560 4.835 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000028208850 556319510 /nfs/dbraw/zinc/31/95/10/556319510.db2.gz BMVYXZZSXGVROZ-QFIPXVFZSA-N 0 0 476.642 4.898 40 0 JJABRN CCC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000028209004 556319748 /nfs/dbraw/zinc/31/97/48/556319748.db2.gz FYNHUTMEJZJGMI-OAHLLOKOSA-N 0 0 476.620 4.662 40 0 JJABRN Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCc3nnc4n3c3ccccc3c(=O)n4C)o2)cc1 ZINC000018754173 556324144 /nfs/dbraw/zinc/32/41/44/556324144.db2.gz CWNPXGSFCDWXOO-UHFFFAOYSA-N 0 0 491.507 4.569 40 0 JJABRN O=S(=O)(Nc1ccc(Cc2ccc(NS(=O)(=O)C3CCCC3)cc2)cc1)C1CCCC1 ZINC000019075054 556327529 /nfs/dbraw/zinc/32/75/29/556327529.db2.gz UDADDFDKVZKWAC-UHFFFAOYSA-N 0 0 462.637 4.646 40 0 JJABRN COc1cc(OC)cc(C(=O)Sc2nc3ccccc3n2C(=O)c2cc(OC)cc(OC)c2)c1 ZINC000019117288 556331234 /nfs/dbraw/zinc/33/12/34/556331234.db2.gz RDFXYVKXEJTLKS-UHFFFAOYSA-N 0 0 478.526 4.692 40 0 JJABRN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000028418937 556333367 /nfs/dbraw/zinc/33/33/67/556333367.db2.gz COQLXJFUEAWJME-UHFFFAOYSA-N 0 0 453.470 4.718 40 0 JJABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000028534705 556334802 /nfs/dbraw/zinc/33/48/02/556334802.db2.gz NUKRVYODIGEHSY-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000028527868 556335000 /nfs/dbraw/zinc/33/50/00/556335000.db2.gz KOBKAGWTIBFNAR-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019234212 556336395 /nfs/dbraw/zinc/33/63/95/556336395.db2.gz SYESOGYPFCTCOB-MHZLTWQESA-N 0 0 497.647 4.548 40 0 JJABRN Cc1cccc(CCN(Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000019234883 556336793 /nfs/dbraw/zinc/33/67/93/556336793.db2.gz BWEBGLZTTUQTNS-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN CC(C)c1ccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366192 556346259 /nfs/dbraw/zinc/34/62/59/556346259.db2.gz COLOGUIDTBCFOM-NSOVKSMOSA-N 0 0 464.650 4.890 40 0 JJABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cccc(C)c2[nH]c1=O ZINC000019526637 556351549 /nfs/dbraw/zinc/35/15/49/556351549.db2.gz OUZAPADDEHYPNG-AREMUKBSSA-N 0 0 482.563 4.622 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019568127 556354892 /nfs/dbraw/zinc/35/48/92/556354892.db2.gz ZUZHXHDHHBMKHF-AREMUKBSSA-N 0 0 468.605 4.784 40 0 JJABRN COc1cc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000019597558 556356851 /nfs/dbraw/zinc/35/68/51/556356851.db2.gz IJUORDGIWDTMBP-UHFFFAOYSA-N 0 0 475.582 4.631 40 0 JJABRN CN(C)S(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F ZINC000030752108 556371571 /nfs/dbraw/zinc/37/15/71/556371571.db2.gz VRDKYBFQUYEYLS-UHFFFAOYSA-N 0 0 477.945 4.523 40 0 JJABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(C(C)(C)C)cc1 ZINC000030847587 556376160 /nfs/dbraw/zinc/37/61/60/556376160.db2.gz DKMBRYPSCOGLPM-URXFXBBRSA-N 0 0 470.679 4.836 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000030851226 556377448 /nfs/dbraw/zinc/37/74/48/556377448.db2.gz CXIUKWVPXDIYSQ-QGZVFWFLSA-N 0 0 472.994 4.806 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000030853387 556378597 /nfs/dbraw/zinc/37/85/97/556378597.db2.gz KLNOZSBDSBKRKB-INIZCTEOSA-N 0 0 476.957 4.560 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc(OC)c1OC ZINC000019816618 556383069 /nfs/dbraw/zinc/38/30/69/556383069.db2.gz FAVVGNZXYZBDPF-KRWDZBQOSA-N 0 0 490.585 4.664 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)cc1OC ZINC000019816503 556383146 /nfs/dbraw/zinc/38/31/46/556383146.db2.gz CLDFIKFLUJIFHI-MRXNPFEDSA-N 0 0 480.977 5.000 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c(OC)c1 ZINC000019816966 556383438 /nfs/dbraw/zinc/38/34/38/556383438.db2.gz OYLKYXZEBKAXQE-OAHLLOKOSA-N 0 0 480.977 5.000 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000030868007 556383804 /nfs/dbraw/zinc/38/38/04/556383804.db2.gz KRJDFSLIJLBZOP-DEOSSOPVSA-N 0 0 496.629 4.783 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CC(=O)c2ccc(Cl)cc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019820285 556389419 /nfs/dbraw/zinc/38/94/19/556389419.db2.gz QHJFHBRIHCKWOM-ZEQRLZLVSA-N 0 0 487.943 4.688 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CC(=O)c2ccc(Cl)cc2)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000019820283 556389434 /nfs/dbraw/zinc/38/94/34/556389434.db2.gz QHJFHBRIHCKWOM-RPWUZVMVSA-N 0 0 487.943 4.688 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000019820433 556389681 /nfs/dbraw/zinc/38/96/81/556389681.db2.gz AIKXOFRHHOCQQJ-LOSJGSFVSA-N 0 0 469.541 4.669 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000019820483 556389995 /nfs/dbraw/zinc/38/99/95/556389995.db2.gz FIRZGVUTXAEXHF-RPWUZVMVSA-N 0 0 457.505 4.799 40 0 JJABRN COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@@H](c3ccc(OC)c(OC)c3)N2)cc1OC ZINC000031795266 556404725 /nfs/dbraw/zinc/40/47/25/556404725.db2.gz HJTUCLGFYSNIMK-NFQMXDRXSA-N 0 0 465.546 4.715 40 0 JJABRN COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccc(OC)c(OC)c3)N2)cc1OC ZINC000031795273 556404766 /nfs/dbraw/zinc/40/47/66/556404766.db2.gz HJTUCLGFYSNIMK-HRFSGMKKSA-N 0 0 465.546 4.715 40 0 JJABRN COc1ccc(C)cc1NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032107037 556418501 /nfs/dbraw/zinc/41/85/01/556418501.db2.gz MBWWSMZKNKUAGP-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(COc2ccccc2)o1 ZINC000032109605 556419581 /nfs/dbraw/zinc/41/95/81/556419581.db2.gz KDCFBDAELYXOQE-UHFFFAOYSA-N 0 0 495.342 4.601 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1OC ZINC000032115105 556422149 /nfs/dbraw/zinc/42/21/49/556422149.db2.gz ARYOIAPFGODCSO-UHFFFAOYSA-N 0 0 463.987 4.678 40 0 JJABRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(I)cc2)cc1OC ZINC000032115341 556422484 /nfs/dbraw/zinc/42/24/84/556422484.db2.gz RVXQXIJWPRRGCB-UHFFFAOYSA-N 0 0 452.292 4.681 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000032125363 556429602 /nfs/dbraw/zinc/42/96/02/556429602.db2.gz CMSHYJKMJZGRSD-UHFFFAOYSA-N 0 0 495.048 4.925 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000032125390 556429798 /nfs/dbraw/zinc/42/97/98/556429798.db2.gz CZIQUQCJHXCNHP-UHFFFAOYSA-N 0 0 493.032 4.738 40 0 JJABRN COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC ZINC000032126864 556431203 /nfs/dbraw/zinc/43/12/03/556431203.db2.gz FSTLKKOPPXOWQI-BJMVGYQFSA-N 0 0 471.307 4.964 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1Cl ZINC000032126901 556431206 /nfs/dbraw/zinc/43/12/06/556431206.db2.gz HOJIRCXPKPEQEJ-UHFFFAOYSA-N 0 0 467.403 4.567 40 0 JJABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc(I)ccc1Cl ZINC000032127021 556431358 /nfs/dbraw/zinc/43/13/58/556431358.db2.gz NBFKVRZFEGDJIX-UHFFFAOYSA-N 0 0 499.761 4.643 40 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CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033658639 569629983 /nfs/dbraw/zinc/62/99/83/569629983.db2.gz JMUDYBAEOPPLEZ-CQSZACIVSA-N 0 0 475.977 4.621 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033664501 569630197 /nfs/dbraw/zinc/63/01/97/569630197.db2.gz ZVHTZLFVQKFLAM-HSZRJFAPSA-N 0 0 495.649 4.781 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1cc(Br)ccc1Br ZINC000033663857 569630200 /nfs/dbraw/zinc/63/02/00/569630200.db2.gz LAYCKSWEYNSZCE-UHFFFAOYSA-N 0 0 468.174 4.728 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C2=O)o1 ZINC000033683819 569630742 /nfs/dbraw/zinc/63/07/42/569630742.db2.gz PZHIVOMXQVKNJQ-CIAFOILYSA-N 0 0 450.516 4.769 40 0 JJABRN CCOc1cc(C(=S)N2CCOCC2)c(Br)cc1OCc1ccc(C)cc1 ZINC000033707243 569631344 /nfs/dbraw/zinc/63/13/44/569631344.db2.gz GUMCDPHJKJFFHC-UHFFFAOYSA-N 0 0 450.398 4.743 40 0 JJABRN O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000033721694 569632038 /nfs/dbraw/zinc/63/20/38/569632038.db2.gz OTRWMUQRNKYBPK-CHHVJCJISA-N 0 0 473.097 4.691 40 0 JJABRN Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937252 569638679 /nfs/dbraw/zinc/63/86/79/569638679.db2.gz BBTKXVPWIMYQCZ-RCZVLFRGSA-N 0 0 478.641 4.625 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Br ZINC000034746964 569655701 /nfs/dbraw/zinc/65/57/01/569655701.db2.gz FGNCBZBUJMPQKE-UHFFFAOYSA-N 0 0 468.804 4.838 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(F)cc1F ZINC000034761599 569657989 /nfs/dbraw/zinc/65/79/89/569657989.db2.gz VVGQMLYMNPESQQ-VXLYETTFSA-N 0 0 485.424 4.808 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCC(=O)Nc1ccccc1C ZINC000034878619 569668739 /nfs/dbraw/zinc/66/87/39/569668739.db2.gz XVKQJUUIUCUUHC-HSZRJFAPSA-N 0 0 463.559 4.780 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000035105056 569674968 /nfs/dbraw/zinc/67/49/68/569674968.db2.gz MKHUBQCYHCAHEQ-UHFFFAOYSA-N 0 0 454.548 4.637 40 0 JJABRN COC(=O)c1cc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(C(=O)OC)c1 ZINC000035123912 569675143 /nfs/dbraw/zinc/67/51/43/569675143.db2.gz RXFAFGIRFCCYAH-UHFFFAOYSA-N 0 0 497.381 4.908 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000035132355 569675536 /nfs/dbraw/zinc/67/55/36/569675536.db2.gz LENPZEBCODNPJQ-FQEVSTJZSA-N 0 0 490.004 4.948 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000035131725 569675558 /nfs/dbraw/zinc/67/55/58/569675558.db2.gz BPSCJOPQVCVBLZ-UHFFFAOYSA-N 0 0 452.576 4.993 40 0 JJABRN CCOc1cc(C(=O)Nc2ccccc2Br)cc(I)c1OC ZINC000035151365 569676186 /nfs/dbraw/zinc/67/61/86/569676186.db2.gz BHHDOBXZALDSDR-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2OC)C2CCCCC2)cc1Cl ZINC000035153215 569676326 /nfs/dbraw/zinc/67/63/26/569676326.db2.gz BGKMJRNIYXREBZ-UHFFFAOYSA-N 0 0 481.014 4.628 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000035352334 569681736 /nfs/dbraw/zinc/68/17/36/569681736.db2.gz KNXZCPQHWAAUAU-UHFFFAOYSA-N 0 0 468.575 4.829 40 0 JJABRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc(Cl)cc2)[C@H]2CSCN21 ZINC000035374629 569684226 /nfs/dbraw/zinc/68/42/26/569684226.db2.gz KGHZUJBAAISBOC-ZGXDEKTJSA-N 0 0 476.001 4.862 40 0 JJABRN O=C(c1cccnc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000035374506 569684228 /nfs/dbraw/zinc/68/42/28/569684228.db2.gz XNJWJUYJYBIRRJ-WTEVXDJOSA-N 0 0 461.974 4.554 40 0 JJABRN COC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C1=O ZINC000035375933 569684695 /nfs/dbraw/zinc/68/46/95/569684695.db2.gz PCQJCTQXEYWPEM-RGVLZGJSSA-N 0 0 485.323 4.791 40 0 JJABRN CC(C)(C)OC(=O)[C@]1(NC(=O)OCc2ccccc2)CO[C@H](c2ccc(Br)cc2)C1 ZINC000068603242 569691386 /nfs/dbraw/zinc/69/13/86/569691386.db2.gz RQKBLLCKZNHPBW-WMZHIEFXSA-N 0 0 476.367 4.917 40 0 JJABRN CC(C)(C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CO[C@@H](c2ccc(Br)cc2)C1 ZINC000068603221 569691420 /nfs/dbraw/zinc/69/14/20/569691420.db2.gz RQKBLLCKZNHPBW-XXBNENTESA-N 0 0 476.367 4.917 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1 ZINC000072215332 569700320 /nfs/dbraw/zinc/70/03/20/569700320.db2.gz NUDMSQXPBPJYGU-NRFANRHFSA-N 0 0 457.596 4.820 40 0 JJABRN CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCN3C(=O)OCc3ccccc3)cn2)CC1 ZINC000072216398 569700566 /nfs/dbraw/zinc/70/05/66/569700566.db2.gz MZPMHQKYPJZEJG-JOCHJYFZSA-N 0 0 466.582 4.612 40 0 JJABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)COc4ccc5c(cc(C)n5C)c4)C3)cc2n1 ZINC000072341293 569703387 /nfs/dbraw/zinc/70/33/87/569703387.db2.gz JOIFYQAGKZVICW-MRXNPFEDSA-N 0 0 485.510 4.506 40 0 JJABRN C[C@H]1C[C@@H]1C(=O)N1CCC(O)(Cn2nc(-c3cccnc3)c3cc(Nc4ccc(F)cc4)ccc32)CC1 ZINC000072397241 569703646 /nfs/dbraw/zinc/70/36/46/569703646.db2.gz GDXASPQUDPVDPB-CYFREDJKSA-N 0 0 499.590 4.991 40 0 JJABRN CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)OC)n1Cc1ccc(C(=O)OC)cc1 ZINC000035645158 569705708 /nfs/dbraw/zinc/70/57/08/569705708.db2.gz SIBQTSXZPZMBEB-XSFVSMFZSA-N 0 0 452.576 4.921 40 0 in-vitro JJABRN Cc1ccc([C@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000095346126 569722264 /nfs/dbraw/zinc/72/22/64/569722264.db2.gz ZBBNWERRMZMRTL-FKBYEOEOSA-N 0 0 463.331 4.809 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4OC)[C@@H]3C2=O)cc1 ZINC000095483648 569725114 /nfs/dbraw/zinc/72/51/14/569725114.db2.gz QJBDARGNEBVBEL-GVAUOCQISA-N 0 0 458.514 4.535 40 0 JJABRN COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCN(C(C)C)CC5)cc43)cs2)cc1 ZINC000096037888 569732411 /nfs/dbraw/zinc/73/24/11/569732411.db2.gz WZCJNODYGFSRNH-UHFFFAOYSA-N 0 0 462.575 4.793 40 0 JJABRN Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H](c2ncn(C(C)C)n2)CN3C(=O)c2ccccc2)nc1 ZINC000096156520 569736859 /nfs/dbraw/zinc/73/68/59/569736859.db2.gz NIWMHDMBUWODMG-QFIPXVFZSA-N 0 0 466.545 4.607 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2)C1=O ZINC000096178809 569736980 /nfs/dbraw/zinc/73/69/80/569736980.db2.gz LWPNXNWVCGBEOG-VSKRKVRLSA-N 0 0 476.554 4.593 40 0 JJABRN COc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(C)cc4)N(c4cccc(Br)c4)O[C@@H]3C2=O)c1 ZINC000100222326 569755699 /nfs/dbraw/zinc/75/56/99/569755699.db2.gz VSXXGGUJNSHFKH-VJBWXMMDSA-N 0 0 493.357 4.817 40 0 JJABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O ZINC000036067879 569756694 /nfs/dbraw/zinc/75/66/94/569756694.db2.gz FXVIZCHROISTCZ-MHECFPHRSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000036092720 569756776 /nfs/dbraw/zinc/75/67/76/569756776.db2.gz WXCQYFCPMHXFCE-MHECFPHRSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000036128064 569756862 /nfs/dbraw/zinc/75/68/62/569756862.db2.gz RQBQKLWOURFJLZ-MOPGFXCFSA-N 0 0 479.042 4.552 40 0 JJABRN Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc5c(c4)OCCO5)nnc3c2c1C ZINC000100386525 569758426 /nfs/dbraw/zinc/75/84/26/569758426.db2.gz QANQHJDWDJPQOT-UHFFFAOYSA-N 0 0 454.577 4.825 40 0 JJABRN CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc5c(c4)OCCO5)n21)CCCC3 ZINC000100392479 569758555 /nfs/dbraw/zinc/75/85/55/569758555.db2.gz AATTVRDDVSFNSM-UHFFFAOYSA-N 0 0 495.630 4.843 40 0 JJABRN COC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H]([C@@H](c6ccccc6)C5)[C@@H]4C3=O)cc2)cc1 ZINC000100397255 569758904 /nfs/dbraw/zinc/75/89/04/569758904.db2.gz QWNRRDKDTGLMBY-OAPNDDNYSA-N 0 0 494.547 4.655 40 0 JJABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Cl)cc4)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000100577958 569765171 /nfs/dbraw/zinc/76/51/71/569765171.db2.gz FRWUBWTWOBDLHQ-VSKRKVRLSA-N 0 0 452.869 4.539 40 0 JJABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000100859212 569772649 /nfs/dbraw/zinc/77/26/49/569772649.db2.gz KVVBYYXTADNERO-FKBYEOEOSA-N 0 0 479.330 4.509 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Br)cc3)C2=O)cc1 ZINC000100888506 569774394 /nfs/dbraw/zinc/77/43/94/569774394.db2.gz DZYCNEOIDRKCLN-VSKRKVRLSA-N 0 0 463.331 4.809 40 0 JJABRN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4cnn(Cc5cccc(OC)c5)c4)c32)cc1 ZINC000036619220 569778556 /nfs/dbraw/zinc/77/85/56/569778556.db2.gz BUWANEPNDCCDBK-UHFFFAOYSA-N 0 0 469.501 4.713 40 0 JJABRN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4cnn(Cc5cccc(F)c5)c4)c32)cc1 ZINC000036619260 569778574 /nfs/dbraw/zinc/77/85/74/569778574.db2.gz AOCXOYNOFBHUDG-UHFFFAOYSA-N 0 0 457.465 4.843 40 0 JJABRN O=Cc1ccc(OC(=O)c2ccccc2S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100991957 569778723 /nfs/dbraw/zinc/77/87/23/569778723.db2.gz QPUYACJKUNKYHT-OAQYLSRUSA-N 0 0 465.914 4.796 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)c(OC)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101024349 569779813 /nfs/dbraw/zinc/77/98/13/569779813.db2.gz UCAUEEWOGIPRCQ-ZNZIZOMTSA-N 0 0 488.540 4.544 40 0 JJABRN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2Cl)c1 ZINC000037020519 569781152 /nfs/dbraw/zinc/78/11/52/569781152.db2.gz RRCPVKRZYFXNGR-UHFFFAOYSA-N 0 0 478.058 4.754 40 0 JJABRN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000101075982 569781571 /nfs/dbraw/zinc/78/15/71/569781571.db2.gz QDWUELUSHACREB-MOUTVQLLSA-N 0 0 499.364 4.722 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101179447 569786211 /nfs/dbraw/zinc/78/62/11/569786211.db2.gz XXVFAWFFGVBSGV-FKBYEOEOSA-N 0 0 481.321 4.635 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000101190024 569786570 /nfs/dbraw/zinc/78/65/70/569786570.db2.gz HTJTWHGBPTWKES-ACRUOGEOSA-N 0 0 456.395 4.896 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101199644 569786955 /nfs/dbraw/zinc/78/69/55/569786955.db2.gz VNERRIBWWMXGQO-FSSWDIPSSA-N 0 0 497.320 4.648 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@@H]34)C2O)c(C)c1 ZINC000101360743 569794275 /nfs/dbraw/zinc/79/42/75/569794275.db2.gz KEVSUFZTFXCSQQ-LWSSLDFYSA-N 0 0 454.551 4.763 40 0 JJABRN Cc1ccc(-c2nnc3sc(CN4C(=O)S/C(=C\c5ccc(F)cc5)C4=O)nn32)cc1 ZINC000101362812 569794415 /nfs/dbraw/zinc/79/44/15/569794415.db2.gz DUSMOXTURJHEHT-YBEGLDIGSA-N 0 0 451.508 4.537 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2ccc(F)cc2)C(C)C)n1C ZINC000038535104 569802327 /nfs/dbraw/zinc/80/23/27/569802327.db2.gz NRVRJRBKXOPDEY-NRFANRHFSA-N 0 0 483.613 4.683 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000038536830 569802463 /nfs/dbraw/zinc/80/24/63/569802463.db2.gz RZUIBMOYCPCFMI-AWEZNQCLSA-N 0 0 475.977 4.621 40 0 JJABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000038753622 569806607 /nfs/dbraw/zinc/80/66/07/569806607.db2.gz DBLYACMBNQMZGV-UHFFFAOYSA-N 0 0 485.993 4.779 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(OC)cc1 ZINC000038753926 569806632 /nfs/dbraw/zinc/80/66/32/569806632.db2.gz POPUJCIQRCXJSX-HSZRJFAPSA-N 0 0 452.576 4.994 40 0 JJABRN CCOC(=O)c1cc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)ccc1Cl ZINC000038754161 569806684 /nfs/dbraw/zinc/80/66/84/569806684.db2.gz ILKUAIZLSLBZCY-NSHDSACASA-N 0 0 493.796 4.617 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1OCC ZINC000038754576 569806875 /nfs/dbraw/zinc/80/68/75/569806875.db2.gz ZUICOIYITGDIEA-KRWDZBQOSA-N 0 0 498.576 4.676 40 0 JJABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000038755423 569807064 /nfs/dbraw/zinc/80/70/64/569807064.db2.gz CFYYXLIYFMRJAA-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000038756662 569807344 /nfs/dbraw/zinc/80/73/44/569807344.db2.gz PJUUQXNSPOSCLU-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000038771429 569807507 /nfs/dbraw/zinc/80/75/07/569807507.db2.gz JLYKFSDTZKBFOC-KRWDZBQOSA-N 0 0 456.589 4.924 40 0 JJABRN O=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn21)N1N=CC[C@@H]1c1ccccc1 ZINC000038784218 569807938 /nfs/dbraw/zinc/80/79/38/569807938.db2.gz GDPJFBRBWCKLSK-LJQANCHMSA-N 0 0 454.515 4.589 40 0 JJABRN Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC4CCCC4)c4ccccc34)N(C)C2=S)cc1C ZINC000039556313 569810338 /nfs/dbraw/zinc/81/03/38/569810338.db2.gz DVBUPSTVVPMCGX-MYYYXRDXSA-N 0 0 486.641 4.921 40 0 JJABRN Cc1ccccc1OCCn1cc(/C=C2/C(=O)N(C)C(=S)N2C)c2cc(Br)ccc21 ZINC000039556566 569810487 /nfs/dbraw/zinc/81/04/87/569810487.db2.gz JXBGLCZPWVSFBG-NDENLUEZSA-N 0 0 484.419 4.821 40 0 JJABRN CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC(C)C)cc3)c3ccccc23)N(C)C1=S ZINC000039556530 569810500 /nfs/dbraw/zinc/81/05/00/569810500.db2.gz HUJRBOYYMMUKEV-JLPGSUDCSA-N 0 0 463.603 4.927 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 ZINC000039760848 569811658 /nfs/dbraw/zinc/81/16/58/569811658.db2.gz 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ZINC000222762449 569890499 /nfs/dbraw/zinc/89/04/99/569890499.db2.gz VCDJUTLSIXYYNW-CQSZACIVSA-N 0 0 457.785 4.969 40 0 JJABRN CCc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 ZINC000222764682 569890523 /nfs/dbraw/zinc/89/05/23/569890523.db2.gz IAKYZMLQJBTHDP-UHFFFAOYSA-N 0 0 458.583 4.914 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000222763709 569890533 /nfs/dbraw/zinc/89/05/33/569890533.db2.gz ZQQRNSIUNDXOEP-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222766055 569890552 /nfs/dbraw/zinc/89/05/52/569890552.db2.gz KUSMDVXHAFQMQY-ZDUSSCGKSA-N 0 0 497.495 4.776 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)cc1 ZINC000222770045 569890641 /nfs/dbraw/zinc/89/06/41/569890641.db2.gz NJQFSJKTQWLMDG-UHFFFAOYSA-N 0 0 460.555 4.604 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000222785866 569890979 /nfs/dbraw/zinc/89/09/79/569890979.db2.gz SHQYHYJRDOUDSQ-RUZDIDTESA-N 0 0 492.984 4.766 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000222784844 569890987 /nfs/dbraw/zinc/89/09/87/569890987.db2.gz IGADOQDFCNFYOR-UHFFFAOYSA-N 0 0 484.990 4.693 40 0 JJABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000222788755 569891119 /nfs/dbraw/zinc/89/11/19/569891119.db2.gz XMQVJJMHMJDYNR-RUZDIDTESA-N 0 0 480.555 4.756 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)N1CCC(C)CC1 ZINC000222791713 569891193 /nfs/dbraw/zinc/89/11/93/569891193.db2.gz XZKFWAZIHIUGIW-UHFFFAOYSA-N 0 0 468.644 4.912 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000222798600 569891353 /nfs/dbraw/zinc/89/13/53/569891353.db2.gz NRQWDTHEFVZWQO-RUZDIDTESA-N 0 0 492.984 4.766 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccc4ccccc4c3)Oc3ccc(C)cc32)cc1 ZINC000222798692 569891383 /nfs/dbraw/zinc/89/13/83/569891383.db2.gz NWKIXKUCBJVITG-MHZLTWQESA-N 0 0 486.593 4.729 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222801798 569891424 /nfs/dbraw/zinc/89/14/24/569891424.db2.gz INNMEBVDYFSTHC-HXUWFJFHSA-N 0 0 467.393 4.713 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222803155 569891467 /nfs/dbraw/zinc/89/14/67/569891467.db2.gz NPRBZYZLZAVLAK-QGZVFWFLSA-N 0 0 477.992 4.785 40 0 JJABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803191 569891491 /nfs/dbraw/zinc/89/14/91/569891491.db2.gz ZHAWFZDCBHRKSI-INIZCTEOSA-N 0 0 461.345 4.699 40 0 JJABRN CC(C)(C)c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)c(Br)c1 ZINC000222820864 569891970 /nfs/dbraw/zinc/89/19/70/569891970.db2.gz OMQURLAUWUXKTE-UHFFFAOYSA-N 0 0 460.412 4.990 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222828084 569892051 /nfs/dbraw/zinc/89/20/51/569892051.db2.gz YDVLGOFTXGMMPD-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccccc2F)cc1 ZINC000222836065 569892288 /nfs/dbraw/zinc/89/22/88/569892288.db2.gz UXQAMSUVOSIXEF-UHFFFAOYSA-N 0 0 462.546 4.799 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1 ZINC000222838929 569892315 /nfs/dbraw/zinc/89/23/15/569892315.db2.gz NKVMVVGWOORNSB-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222838774 569892347 /nfs/dbraw/zinc/89/23/47/569892347.db2.gz DTYYQMFJNYLLGZ-XMMPIXPASA-N 0 0 483.033 4.827 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000222839694 569892351 /nfs/dbraw/zinc/89/23/51/569892351.db2.gz QWVOHJWQYBKLLV-RUZDIDTESA-N 0 0 497.060 4.968 40 0 JJABRN COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000222839841 569892399 /nfs/dbraw/zinc/89/23/99/569892399.db2.gz JRZIJSMMOSHEJU-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222842543 569892434 /nfs/dbraw/zinc/89/24/34/569892434.db2.gz JICAJQDHMKILOX-KRWDZBQOSA-N 0 0 477.992 4.785 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222848632 569892587 /nfs/dbraw/zinc/89/25/87/569892587.db2.gz JCRQVJBBXPUGFW-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222847827 569892620 /nfs/dbraw/zinc/89/26/20/569892620.db2.gz CEIXOMLUUDCTDX-KRWDZBQOSA-N 0 0 456.373 4.665 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1 ZINC000222851316 569892735 /nfs/dbraw/zinc/89/27/35/569892735.db2.gz AHCMMZASTBYBFH-HXUWFJFHSA-N 0 0 480.992 4.504 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000222851851 569892795 /nfs/dbraw/zinc/89/27/95/569892795.db2.gz UFOVCFXNGPYRTN-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222855525 569892841 /nfs/dbraw/zinc/89/28/41/569892841.db2.gz MZGSNIWYOZTPLG-KRWDZBQOSA-N 0 0 461.002 4.622 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222873424 569893221 /nfs/dbraw/zinc/89/32/21/569893221.db2.gz NYFVGJMEHRWVAX-MHZLTWQESA-N 0 0 488.628 4.758 40 0 JJABRN CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222877716 569893332 /nfs/dbraw/zinc/89/33/32/569893332.db2.gz RZYJILRGXJVYJI-HHHXNRCGSA-N 0 0 458.602 4.576 40 0 JJABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222879620 569893385 /nfs/dbraw/zinc/89/33/85/569893385.db2.gz XPUTWFDCXVARHF-SFHVURJKSA-N 0 0 484.955 4.600 40 0 JJABRN C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222879779 569893388 /nfs/dbraw/zinc/89/33/88/569893388.db2.gz SFZWSOKYZWPNJH-LJQANCHMSA-N 0 0 468.956 4.634 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222885449 569893565 /nfs/dbraw/zinc/89/35/65/569893565.db2.gz RTYFZTJGZCCYKG-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000222887306 569893648 /nfs/dbraw/zinc/89/36/48/569893648.db2.gz QPBBSAKYCJULSY-UHFFFAOYSA-N 0 0 464.509 4.721 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 ZINC000222915261 569894289 /nfs/dbraw/zinc/89/42/89/569894289.db2.gz QACFRUOBDADKCN-DEOSSOPVSA-N 0 0 484.593 4.990 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222921801 569894428 /nfs/dbraw/zinc/89/44/28/569894428.db2.gz AVGYQZRNKQWILR-MRXNPFEDSA-N 0 0 481.818 4.652 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Br ZINC000222922104 569894431 /nfs/dbraw/zinc/89/44/31/569894431.db2.gz RNKFCPKGXKZILP-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccc(C)cc2)cc1 ZINC000222923037 569894483 /nfs/dbraw/zinc/89/44/83/569894483.db2.gz VEDCDTCIBNMFDP-NRFANRHFSA-N 0 0 492.641 4.955 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222924405 569894548 /nfs/dbraw/zinc/89/45/48/569894548.db2.gz PNMAQFINRXLNMT-GOSISDBHSA-N 0 0 468.956 4.764 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O ZINC000222940918 569895037 /nfs/dbraw/zinc/89/50/37/569895037.db2.gz ZXPBVGDONYTQSD-SFHVURJKSA-N 0 0 463.043 4.951 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222944824 569895113 /nfs/dbraw/zinc/89/51/13/569895113.db2.gz WBGDEAHJMNFHSO-HXUWFJFHSA-N 0 0 454.636 4.930 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222944772 569895136 /nfs/dbraw/zinc/89/51/36/569895136.db2.gz WBGDEAHJMNFHSO-FQEVSTJZSA-N 0 0 454.636 4.930 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222944778 569895141 /nfs/dbraw/zinc/89/51/41/569895141.db2.gz MQNOYXKJKYIBQS-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000222970842 569895786 /nfs/dbraw/zinc/89/57/86/569895786.db2.gz UKIZCZJJHNTBAF-UHFFFAOYSA-N 0 0 477.369 4.762 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222971525 569895815 /nfs/dbraw/zinc/89/58/15/569895815.db2.gz GDULTFNDQINVKA-INIZCTEOSA-N 0 0 493.417 4.818 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222980609 569895994 /nfs/dbraw/zinc/89/59/94/569895994.db2.gz AQGCYXPNZAMSCE-HNNXBMFYSA-N 0 0 479.404 4.987 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222986704 569896277 /nfs/dbraw/zinc/89/62/77/569896277.db2.gz ROEOAXLMDQEZQI-SFHVURJKSA-N 0 0 477.468 4.853 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)cc1OC ZINC000222988630 569896278 /nfs/dbraw/zinc/89/62/78/569896278.db2.gz VYPWGQZQMDBCLE-SZHLLGMXSA-N 0 0 450.560 4.722 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000222988888 569896282 /nfs/dbraw/zinc/89/62/82/569896282.db2.gz WLPRFDDYXDTCBY-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222988078 569896314 /nfs/dbraw/zinc/89/63/14/569896314.db2.gz PXOOEQKDBGPFPB-KSFYIVLOSA-N 0 0 479.042 4.649 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000222987923 569896319 /nfs/dbraw/zinc/89/63/19/569896319.db2.gz CMAKCCIVCDKUFO-GAJHUEQPSA-N 0 0 463.043 4.949 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000222989767 569896337 /nfs/dbraw/zinc/89/63/37/569896337.db2.gz GLALSBIRIBBUKE-UHFFFAOYSA-N 0 0 464.587 4.718 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc2c(c1)CCCC2 ZINC000222993221 569896394 /nfs/dbraw/zinc/89/63/94/569896394.db2.gz QGMUUXBHTNBHHQ-FDDCHVKYSA-N 0 0 475.054 4.638 40 0 JJABRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222993357 569896410 /nfs/dbraw/zinc/89/64/10/569896410.db2.gz JOWPCHDSEVTOOD-FDDCHVKYSA-N 0 0 475.054 4.638 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222999874 569896545 /nfs/dbraw/zinc/89/65/45/569896545.db2.gz PCKSFXXMOOEZOW-NRFANRHFSA-N 0 0 475.427 4.813 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)c1 ZINC000223024545 569897077 /nfs/dbraw/zinc/89/70/77/569897077.db2.gz WUVTUECXHQUGRS-LJQANCHMSA-N 0 0 497.488 4.976 40 0 JJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223026626 569897127 /nfs/dbraw/zinc/89/71/27/569897127.db2.gz LDKXGGBMEXZGJU-WOJBJXKFSA-N 0 0 458.381 4.723 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223029977 569897295 /nfs/dbraw/zinc/89/72/95/569897295.db2.gz LMSXKLFSQXLYHM-PMACEKPBSA-N 0 0 476.371 4.862 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223031298 569897318 /nfs/dbraw/zinc/89/73/18/569897318.db2.gz IUGPCSVVFPAYMQ-ZWKOTPCHSA-N 0 0 463.043 4.914 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000223033731 569897424 /nfs/dbraw/zinc/89/74/24/569897424.db2.gz CFIKOYMNASWVML-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN CCCSc1nnc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)s1 ZINC000223041072 569897542 /nfs/dbraw/zinc/89/75/42/569897542.db2.gz FQSWENCVDJQVJT-UHFFFAOYSA-N 0 0 483.468 4.532 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041154 569897578 /nfs/dbraw/zinc/89/75/78/569897578.db2.gz LAGQYCHDQBMKPP-DEOSSOPVSA-N 0 0 450.604 4.752 40 0 JJABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(OC)cc1 ZINC000223055010 569897947 /nfs/dbraw/zinc/89/79/47/569897947.db2.gz OMAWJLAIHRYEMW-MHZLTWQESA-N 0 0 458.602 4.794 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060429 569898087 /nfs/dbraw/zinc/89/80/87/569898087.db2.gz AEYLTFKLIJHUMZ-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223061745 569898161 /nfs/dbraw/zinc/89/81/61/569898161.db2.gz ICMJUBPODSIJMK-HXUWFJFHSA-N 0 0 456.652 4.877 40 0 JJABRN CC[C@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223062255 569898184 /nfs/dbraw/zinc/89/81/84/569898184.db2.gz XKGLKVNPXNPHKE-IERDGZPVSA-N 0 0 479.042 4.649 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223062764 569898206 /nfs/dbraw/zinc/89/82/06/569898206.db2.gz HCGAWRUYHSETAY-XMMPIXPASA-N 0 0 454.636 4.930 40 0 JJABRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223063356 569898258 /nfs/dbraw/zinc/89/82/58/569898258.db2.gz JERBTSQRSUTUSJ-QFIPXVFZSA-N 0 0 461.027 4.884 40 0 JJABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223068769 569898408 /nfs/dbraw/zinc/89/84/08/569898408.db2.gz XYMVIZYNFSUENM-NDEPHWFRSA-N 0 0 472.629 4.802 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223069889 569898452 /nfs/dbraw/zinc/89/84/52/569898452.db2.gz BEZJXLYWNMYHPE-QHCPKHFHSA-N 0 0 461.027 4.884 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc2c(c1)CCCC2 ZINC000223070580 569898539 /nfs/dbraw/zinc/89/85/39/569898539.db2.gz UHLIJFVEFTXJRN-DEOSSOPVSA-N 0 0 470.635 4.630 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223071880 569898585 /nfs/dbraw/zinc/89/85/85/569898585.db2.gz YVRYOMPSAWVYEP-SXOMAYOGSA-N 0 0 491.031 4.818 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223079856 569898810 /nfs/dbraw/zinc/89/88/10/569898810.db2.gz OLAHGYUBPHTFSJ-HHHXNRCGSA-N 0 0 482.690 4.807 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1NC(=O)C(C)C ZINC000223079144 569898847 /nfs/dbraw/zinc/89/88/47/569898847.db2.gz RKGXTDDOYUYRFI-LJQANCHMSA-N 0 0 462.637 4.892 40 0 JJABRN COc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223083263 569898944 /nfs/dbraw/zinc/89/89/44/569898944.db2.gz KFMWQSJDHIGPSO-GOSISDBHSA-N 0 0 461.002 4.676 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223085751 569898996 /nfs/dbraw/zinc/89/89/96/569898996.db2.gz YHHBUQSDIJWCTG-AREMUKBSSA-N 0 0 476.642 4.705 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223093015 569899269 /nfs/dbraw/zinc/89/92/69/569899269.db2.gz HAKWNEGMDYLPHV-NRFANRHFSA-N 0 0 489.454 4.987 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093211 569899282 /nfs/dbraw/zinc/89/92/82/569899282.db2.gz OKZAMOWNRJCKJS-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223108018 569899638 /nfs/dbraw/zinc/89/96/38/569899638.db2.gz IZNKVIOWNJEJQH-RUZDIDTESA-N 0 0 486.703 4.956 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1c(F)cccc1Cl ZINC000223109849 569899722 /nfs/dbraw/zinc/89/97/22/569899722.db2.gz UDSQQKXZKVUMRR-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000223112004 569899756 /nfs/dbraw/zinc/89/97/56/569899756.db2.gz ITFPRYSPIBHMTH-UHFFFAOYSA-N 0 0 496.589 4.795 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223115558 569899842 /nfs/dbraw/zinc/89/98/42/569899842.db2.gz LREHESPVRZVIFW-HHHXNRCGSA-N 0 0 474.601 4.630 40 0 JJABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223115116 569899869 /nfs/dbraw/zinc/89/98/69/569899869.db2.gz ZFADSTLBCFAQPY-HXOBKFHXSA-N 0 0 463.043 4.949 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223123609 569900180 /nfs/dbraw/zinc/90/01/80/569900180.db2.gz LEBCHVMMGLVCDR-UHFFFAOYSA-N 0 0 476.520 4.834 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223129362 569900371 /nfs/dbraw/zinc/90/03/71/569900371.db2.gz OFERWSMTNZKFMN-IBGZPJMESA-N 0 0 475.427 4.778 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@H](C)CC)cc1OCC ZINC000223129198 569900376 /nfs/dbraw/zinc/90/03/76/569900376.db2.gz VHNRKWUXUIAAMN-UXHICEINSA-N 0 0 472.601 4.888 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2Cl)cc1OC ZINC000223132403 569900549 /nfs/dbraw/zinc/90/05/49/569900549.db2.gz IBUSMYWZIKQJRD-PGMHBOJBSA-N 0 0 485.005 4.939 40 0 JJABRN COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223142334 569900872 /nfs/dbraw/zinc/90/08/72/569900872.db2.gz DVQYNLGWFBSYSH-VWLOTQADSA-N 0 0 499.438 4.939 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1NC(C)=O ZINC000223153680 569901268 /nfs/dbraw/zinc/90/12/68/569901268.db2.gz DTJNYFRZNWQALS-UHFFFAOYSA-N 0 0 479.476 4.885 40 0 JJABRN CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223153141 569901287 /nfs/dbraw/zinc/90/12/87/569901287.db2.gz CXORQXNSTGDUAC-QGZVFWFLSA-N 0 0 462.921 4.528 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000223154700 569901345 /nfs/dbraw/zinc/90/13/45/569901345.db2.gz GVXQJRLWGUHNTK-LJQANCHMSA-N 0 0 483.859 4.889 40 0 JJABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)o1 ZINC000223159882 569901534 /nfs/dbraw/zinc/90/15/34/569901534.db2.gz NOTZMCBOMXCVGU-BJKOFHAPSA-N 0 0 483.037 4.608 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223161542 569901583 /nfs/dbraw/zinc/90/15/83/569901583.db2.gz ZYSUHCKOABOGRP-UHFFFAOYSA-N 0 0 480.483 4.665 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223162545 569901589 /nfs/dbraw/zinc/90/15/89/569901589.db2.gz MSTOZXUKKMJJIU-MHZLTWQESA-N 0 0 458.602 4.767 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCOc1ccc(OC)cc1 ZINC000223163236 569901610 /nfs/dbraw/zinc/90/16/10/569901610.db2.gz NEQGLGBSTHCOJI-NDEPHWFRSA-N 0 0 488.628 4.939 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223165465 569901682 /nfs/dbraw/zinc/90/16/82/569901682.db2.gz VRJXFUSXMPUPTN-OAQYLSRUSA-N 0 0 475.427 4.858 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 ZINC000223178200 569902186 /nfs/dbraw/zinc/90/21/86/569902186.db2.gz GEYCTRXHGIMHDE-RBUKOAKNSA-N 0 0 475.427 4.940 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 ZINC000223178307 569902204 /nfs/dbraw/zinc/90/22/04/569902204.db2.gz GEYCTRXHGIMHDE-OALUTQOASA-N 0 0 475.427 4.940 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223177828 569902228 /nfs/dbraw/zinc/90/22/28/569902228.db2.gz DREDXINIZJKYPX-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000223185661 569902682 /nfs/dbraw/zinc/90/26/82/569902682.db2.gz ITKHVNSANGBRGU-GOSISDBHSA-N 0 0 468.575 4.612 40 0 JJABRN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)CCC2 ZINC000223188828 569902691 /nfs/dbraw/zinc/90/26/91/569902691.db2.gz VOBCDAAHLURXSH-KRWDZBQOSA-N 0 0 461.027 4.884 40 0 JJABRN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc2c(c1)CCC2 ZINC000223194936 569902912 /nfs/dbraw/zinc/90/29/12/569902912.db2.gz ADZLEWIAZULCQS-KRWDZBQOSA-N 0 0 461.027 4.884 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(Cl)c1 ZINC000223196589 569903068 /nfs/dbraw/zinc/90/30/68/569903068.db2.gz PRAVPEYSHHZRIS-HOTGVXAUSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223199064 569903202 /nfs/dbraw/zinc/90/32/02/569903202.db2.gz WGCSAGCBZBKLHH-HOTGVXAUSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223199004 569903212 /nfs/dbraw/zinc/90/32/12/569903212.db2.gz WGCSAGCBZBKLHH-CVEARBPZSA-N 0 0 465.819 4.977 40 0 JJABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)o1 ZINC000223202824 569903325 /nfs/dbraw/zinc/90/33/25/569903325.db2.gz CQHKMYZYHWEPAG-DQEYMECFSA-N 0 0 497.064 4.998 40 0 JJABRN COc1ccccc1CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204314 569903350 /nfs/dbraw/zinc/90/33/50/569903350.db2.gz AINDJRNMDZVNMI-VWLOTQADSA-N 0 0 462.565 4.747 40 0 JJABRN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1Cl ZINC000223204420 569903354 /nfs/dbraw/zinc/90/33/54/569903354.db2.gz PHPZOVLHXAOCGP-JWQCQUIFSA-N 0 0 497.064 4.998 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223207611 569903528 /nfs/dbraw/zinc/90/35/28/569903528.db2.gz GTBRDSBMOGRTKO-MUUNZHRXSA-N 0 0 481.571 4.720 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223211023 569903620 /nfs/dbraw/zinc/90/36/20/569903620.db2.gz JONQKOLSXCIILD-VSGBNLITSA-N 0 0 488.603 4.694 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223227481 569904174 /nfs/dbraw/zinc/90/41/74/569904174.db2.gz ZAVRESSOSBGFOR-FQEVSTJZSA-N 0 0 493.417 4.818 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223227550 569904199 /nfs/dbraw/zinc/90/41/99/569904199.db2.gz ZAVRESSOSBGFOR-HXUWFJFHSA-N 0 0 493.417 4.818 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1Cl ZINC000223237781 569904526 /nfs/dbraw/zinc/90/45/26/569904526.db2.gz AQGWOSHDRYBUNS-HOTGVXAUSA-N 0 0 481.818 4.813 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223241580 569904658 /nfs/dbraw/zinc/90/46/58/569904658.db2.gz FJZVLGINSVMHDE-VWLOTQADSA-N 0 0 495.019 4.894 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl ZINC000223241380 569904659 /nfs/dbraw/zinc/90/46/59/569904659.db2.gz RHOLMUHACYXLKN-XMMPIXPASA-N 0 0 480.992 4.504 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223244774 569904747 /nfs/dbraw/zinc/90/47/47/569904747.db2.gz UKYIDZJMZBDRCR-RTBURBONSA-N 0 0 459.428 4.940 40 0 JJABRN C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000223246282 569904819 /nfs/dbraw/zinc/90/48/19/569904819.db2.gz JJTQORWRAGYHFB-FGZHOGPDSA-N 0 0 485.009 4.617 40 0 JJABRN C[NH+](C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000223246112 569904838 /nfs/dbraw/zinc/90/48/38/569904838.db2.gz JJTQORWRAGYHFB-VXKWHMMOSA-N 0 0 485.009 4.617 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223253218 569904979 /nfs/dbraw/zinc/90/49/79/569904979.db2.gz YCCZXRFIURDOLQ-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C ZINC000223254458 569905003 /nfs/dbraw/zinc/90/50/03/569905003.db2.gz MFNDJWFEHWRYSC-PKOBYXMFSA-N 0 0 475.427 4.777 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223255047 569905064 /nfs/dbraw/zinc/90/50/64/569905064.db2.gz QTEGFRUVJNCFHW-MHZLTWQESA-N 0 0 458.602 4.767 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C ZINC000223258962 569905185 /nfs/dbraw/zinc/90/51/85/569905185.db2.gz YZXUTNDHLYAGEE-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000223259367 569905210 /nfs/dbraw/zinc/90/52/10/569905210.db2.gz TWMFHGUEUAJHOJ-RDGATRHJSA-N 0 0 474.601 4.629 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 ZINC000223259168 569905213 /nfs/dbraw/zinc/90/52/13/569905213.db2.gz PJCGTHSNMWIITG-CUNXSJBXSA-N 0 0 474.601 4.629 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223269191 569905513 /nfs/dbraw/zinc/90/55/13/569905513.db2.gz JVFLVXPKYWNHSK-OAQYLSRUSA-N 0 0 467.393 4.714 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C ZINC000223268591 569905531 /nfs/dbraw/zinc/90/55/31/569905531.db2.gz USLGPUSMGVBXAL-SANMLTNESA-N 0 0 458.602 4.767 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223272850 569905694 /nfs/dbraw/zinc/90/56/94/569905694.db2.gz DETRQAJRYXSZPA-FQEVSTJZSA-N 0 0 451.394 4.851 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223272641 569905725 /nfs/dbraw/zinc/90/57/25/569905725.db2.gz KMWSFABIOOWKGG-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223277509 569905902 /nfs/dbraw/zinc/90/59/02/569905902.db2.gz ZJCKYCABXYVFDX-NDEPHWFRSA-N 0 0 482.580 4.787 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223277562 569905925 /nfs/dbraw/zinc/90/59/25/569905925.db2.gz ZJCKYCABXYVFDX-MUUNZHRXSA-N 0 0 482.580 4.787 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223279594 569905932 /nfs/dbraw/zinc/90/59/32/569905932.db2.gz LTHAPHCMEYJRDL-MHZLTWQESA-N 0 0 458.602 4.794 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223284399 569906112 /nfs/dbraw/zinc/90/61/12/569906112.db2.gz KXADVJVXOVGPAB-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223285964 569906191 /nfs/dbraw/zinc/90/61/91/569906191.db2.gz HDMDZNWQUAPPGC-MRXNPFEDSA-N 0 0 497.455 4.533 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223287614 569906267 /nfs/dbraw/zinc/90/62/67/569906267.db2.gz BBTRRYPQNGUGCP-QGZVFWFLSA-N 0 0 467.031 4.732 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C(C)C ZINC000223287944 569906314 /nfs/dbraw/zinc/90/63/14/569906314.db2.gz WJKKGHBFBRZSBB-KRWDZBQOSA-N 0 0 467.031 4.732 40 0 JJABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1Cl ZINC000223301156 569906613 /nfs/dbraw/zinc/90/66/13/569906613.db2.gz USCUIGKFPHAIGR-WQTXXOFMSA-N 0 0 456.974 4.816 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000223305695 569906720 /nfs/dbraw/zinc/90/67/20/569906720.db2.gz DUGKMDHUKKIZRV-JOCHJYFZSA-N 0 0 451.032 4.634 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Br ZINC000223305041 569906735 /nfs/dbraw/zinc/90/67/35/569906735.db2.gz IJOLWPAHHFSIHS-AWEZNQCLSA-N 0 0 456.402 4.938 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223305917 569906762 /nfs/dbraw/zinc/90/67/62/569906762.db2.gz NQFTVIXQVLTGAJ-JOCHJYFZSA-N 0 0 454.611 4.667 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000223310557 569906924 /nfs/dbraw/zinc/90/69/24/569906924.db2.gz ALEWLHQJCZMTPF-LVXARBLLSA-N 0 0 462.565 4.759 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223314879 569907124 /nfs/dbraw/zinc/90/71/24/569907124.db2.gz LATLJNZUFXZJQB-DEOSSOPVSA-N 0 0 468.956 4.634 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC ZINC000223316344 569907235 /nfs/dbraw/zinc/90/72/35/569907235.db2.gz QSWCYTIVZCDILJ-JYFHCDHNSA-N 0 0 488.628 4.937 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223317327 569907254 /nfs/dbraw/zinc/90/72/54/569907254.db2.gz BUJJSVFGKAWEID-FQEVSTJZSA-N 0 0 451.394 4.851 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C(=O)NCC(C)C)c2ccccc2)cc1OC ZINC000223320837 569907402 /nfs/dbraw/zinc/90/74/02/569907402.db2.gz GLSSDDDBGDNORG-NDEPHWFRSA-N 0 0 474.601 4.789 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223331068 569907793 /nfs/dbraw/zinc/90/77/93/569907793.db2.gz IHMUWLMBJKQAAH-UHFFFAOYSA-N 0 0 471.022 4.981 40 0 JJABRN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000223345734 569908094 /nfs/dbraw/zinc/90/80/94/569908094.db2.gz QANDJUHRQZVUGJ-UHFFFAOYSA-N 0 0 466.559 4.824 40 0 JJABRN CC(C)CSc1nnc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)s1 ZINC000223344705 569908096 /nfs/dbraw/zinc/90/80/96/569908096.db2.gz OOTQRQFHVDJQPL-UHFFFAOYSA-N 0 0 476.649 4.505 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1OC ZINC000223348734 569908195 /nfs/dbraw/zinc/90/81/95/569908195.db2.gz KLRONSWOZMLERE-HHHXNRCGSA-N 0 0 474.601 4.789 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C ZINC000223355062 569908390 /nfs/dbraw/zinc/90/83/90/569908390.db2.gz RJKUGPSPZYWNOK-VGSWGCGISA-N 0 0 479.042 4.811 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000223358978 569908591 /nfs/dbraw/zinc/90/85/91/569908591.db2.gz FFVCBMSYIXMCKE-UHFFFAOYSA-N 0 0 454.548 4.672 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223359084 569908649 /nfs/dbraw/zinc/90/86/49/569908649.db2.gz YQRRESUUFRQUTM-LJQANCHMSA-N 0 0 476.639 4.558 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223360600 569908663 /nfs/dbraw/zinc/90/86/63/569908663.db2.gz NASLGTNIRNWJMT-XMMPIXPASA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1F ZINC000223360517 569908686 /nfs/dbraw/zinc/90/86/86/569908686.db2.gz OVCSBKXIFSKMMC-QHCPKHFHSA-N 0 0 468.956 4.634 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223361520 569908702 /nfs/dbraw/zinc/90/87/02/569908702.db2.gz IZEVQMJJACDTSC-FQEVSTJZSA-N 0 0 451.394 4.851 40 0 JJABRN COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223361294 569908731 /nfs/dbraw/zinc/90/87/31/569908731.db2.gz QARWYWIFAACFCB-SANMLTNESA-N 0 0 464.993 4.805 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223367669 569909105 /nfs/dbraw/zinc/90/91/05/569909105.db2.gz CUGAPQZVICUEMP-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223362009 569908760 /nfs/dbraw/zinc/90/87/60/569908760.db2.gz OQMWKAJYTYLSGF-MBSDFSHPSA-N 0 0 476.639 4.558 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C ZINC000223363237 569908833 /nfs/dbraw/zinc/90/88/33/569908833.db2.gz JVMSVHCHYVYAMV-XMMPIXPASA-N 0 0 464.993 4.803 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223367334 569909023 /nfs/dbraw/zinc/90/90/23/569909023.db2.gz SJJOTQFQBXBZAN-NDEPHWFRSA-N 0 0 465.553 4.547 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccccc1F ZINC000223368309 569909062 /nfs/dbraw/zinc/90/90/62/569909062.db2.gz YUDHOAPDRQXXMB-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1I ZINC000223372161 569909206 /nfs/dbraw/zinc/90/92/06/569909206.db2.gz LOZPELYQRBUMSN-PMACEKPBSA-N 0 0 488.398 4.804 40 0 JJABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1C(C)C ZINC000223384487 569909461 /nfs/dbraw/zinc/90/94/61/569909461.db2.gz JMXIVQKJLWIFFB-OAHLLOKOSA-N 0 0 450.626 4.847 40 0 JJABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2O1 ZINC000223384751 569909474 /nfs/dbraw/zinc/90/94/74/569909474.db2.gz QBEHVVNAQLUJAN-DENIHFKCSA-N 0 0 458.624 4.657 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)s2)cc1 ZINC000223387536 569909515 /nfs/dbraw/zinc/90/95/15/569909515.db2.gz KUIVJBKICYANCY-UHFFFAOYSA-N 0 0 470.620 4.639 40 0 JJABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223392011 569909697 /nfs/dbraw/zinc/90/96/97/569909697.db2.gz OYGXIOUFVBCUAF-AREMUKBSSA-N 0 0 480.992 4.806 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223399093 569909885 /nfs/dbraw/zinc/90/98/85/569909885.db2.gz QYPPGLHAGFCWRQ-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223404389 569910079 /nfs/dbraw/zinc/91/00/79/569910079.db2.gz QMBJLPQXMHVGEI-OAQYLSRUSA-N 0 0 491.426 4.513 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1 ZINC000223405433 569910106 /nfs/dbraw/zinc/91/01/06/569910106.db2.gz XPPHRRQINROXIR-VWLOTQADSA-N 0 0 450.966 4.797 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1C ZINC000223406686 569910162 /nfs/dbraw/zinc/91/01/62/569910162.db2.gz OTKZSDULBUAECQ-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223407366 569910245 /nfs/dbraw/zinc/91/02/45/569910245.db2.gz GAJKSSAXEWCWGS-JOCHJYFZSA-N 0 0 460.615 4.790 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000223408128 569910280 /nfs/dbraw/zinc/91/02/80/569910280.db2.gz YHKQTVQLYCOOSZ-XMMPIXPASA-N 0 0 468.956 4.634 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223415400 569910557 /nfs/dbraw/zinc/91/05/57/569910557.db2.gz QFUQCFNCLWBXSJ-RPBOFIJWSA-N 0 0 455.587 4.508 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223419686 569910649 /nfs/dbraw/zinc/91/06/49/569910649.db2.gz GYDRSYUFXSEEGN-HXUWFJFHSA-N 0 0 469.434 4.789 40 0 JJABRN COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223421622 569910718 /nfs/dbraw/zinc/91/07/18/569910718.db2.gz FLYICTROPAXPFX-SANMLTNESA-N 0 0 464.993 4.805 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c2ccccc2OC)cc1 ZINC000223420935 569910739 /nfs/dbraw/zinc/91/07/39/569910739.db2.gz UYMINWLASNCLPN-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000223427872 569910978 /nfs/dbraw/zinc/91/09/78/569910978.db2.gz AIAOJOZGDUEYEX-HOFKKMOUSA-N 0 0 458.602 4.929 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C ZINC000223431952 569911210 /nfs/dbraw/zinc/91/12/10/569911210.db2.gz NFHWNMWROPHEKQ-JKSUJKDBSA-N 0 0 457.423 4.951 40 0 JJABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000223438625 569911443 /nfs/dbraw/zinc/91/14/43/569911443.db2.gz MXNKXTYDMRESGS-UHFFFAOYSA-N 0 0 474.692 4.884 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCCOc1ccccc1 ZINC000223438321 569911467 /nfs/dbraw/zinc/91/14/67/569911467.db2.gz KQAHJBRQTHMSCU-AREMUKBSSA-N 0 0 462.565 4.761 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1Cl ZINC000223440480 569911515 /nfs/dbraw/zinc/91/15/15/569911515.db2.gz KTBHJZVOLGWIEA-HSZRJFAPSA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223441858 569911537 /nfs/dbraw/zinc/91/15/37/569911537.db2.gz UFCNKHYKLLODRZ-RUZDIDTESA-N 0 0 482.983 4.943 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000223446035 569911605 /nfs/dbraw/zinc/91/16/05/569911605.db2.gz YVYJDDWDJVYVCP-MOSHPQCFSA-N 0 0 494.960 4.547 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223447484 569911665 /nfs/dbraw/zinc/91/16/65/569911665.db2.gz GXHYFEFNHPICEF-OAQYLSRUSA-N 0 0 491.426 4.513 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1cccnc1 ZINC000223450972 569911743 /nfs/dbraw/zinc/91/17/43/569911743.db2.gz MVSBGOMXGIGNLE-DQEYMECFSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1ccncc1 ZINC000223451122 569911748 /nfs/dbraw/zinc/91/17/48/569911748.db2.gz GMCMFGYGNISTIS-LOSJGSFVSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1cccnc1 ZINC000223450921 569911777 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ZINC000223751903 569922123 /nfs/dbraw/zinc/92/21/23/569922123.db2.gz WMYINCIIAIXCJK-UHFFFAOYSA-N 0 0 486.593 4.891 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccccc2F)cc1 ZINC000223754736 569922218 /nfs/dbraw/zinc/92/22/18/569922218.db2.gz PSYYEMAHDRQBGT-UHFFFAOYSA-N 0 0 484.593 4.648 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1C ZINC000223762327 569922488 /nfs/dbraw/zinc/92/24/88/569922488.db2.gz MZVMMFAYPBHINH-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1)S(C)(=O)=O ZINC000223763479 569922531 /nfs/dbraw/zinc/92/25/31/569922531.db2.gz VGFXWMKEVGWBOB-UHFFFAOYSA-N 0 0 480.630 4.893 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223766569 569922674 /nfs/dbraw/zinc/92/26/74/569922674.db2.gz UXWNKXXTVRLFSY-MUUNZHRXSA-N 0 0 488.628 4.974 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000223771029 569922749 /nfs/dbraw/zinc/92/27/49/569922749.db2.gz 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CSc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1C(=O)N1CCC(C)CC1 ZINC000223785974 569923294 /nfs/dbraw/zinc/92/32/94/569923294.db2.gz LMGLOKQXFUVJKF-UHFFFAOYSA-N 0 0 490.691 4.761 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCOC)c2C)cc1 ZINC000223794556 569923602 /nfs/dbraw/zinc/92/36/02/569923602.db2.gz IYJVAJHEOOBTPJ-RPWUZVMVSA-N 0 0 450.608 4.722 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCOC)c2C)cc1 ZINC000223794616 569923618 /nfs/dbraw/zinc/92/36/18/569923618.db2.gz IYJVAJHEOOBTPJ-BJKOFHAPSA-N 0 0 450.608 4.722 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000223797782 569923698 /nfs/dbraw/zinc/92/36/98/569923698.db2.gz OYAJEEQIVOXGFF-UHFFFAOYSA-N 0 0 480.630 4.759 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811931 569924041 /nfs/dbraw/zinc/92/40/41/569924041.db2.gz WNOHBKGLKYXXCX-IBGZPJMESA-N 0 0 487.438 4.921 40 0 JJABRN Cc1ccc(CN(C(=O)CN2c3cccc4cccc(c34)C2=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223810791 569924061 /nfs/dbraw/zinc/92/40/61/569924061.db2.gz UNMYCEPPCQJRIG-FQEVSTJZSA-N 0 0 469.585 4.585 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223821321 569924264 /nfs/dbraw/zinc/92/42/64/569924264.db2.gz TUYBLQSIQLGFQS-INIZCTEOSA-N 0 0 479.390 4.644 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223822306 569924310 /nfs/dbraw/zinc/92/43/10/569924310.db2.gz OLOPPJJZEMMCNJ-HXUWFJFHSA-N 0 0 467.031 4.512 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000223824702 569924388 /nfs/dbraw/zinc/92/43/88/569924388.db2.gz QCXIJIWSGNKKIX-UHFFFAOYSA-N 0 0 497.067 4.669 40 0 JJABRN Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000223832970 569924680 /nfs/dbraw/zinc/92/46/80/569924680.db2.gz PFHCGWPWVFFIHH-UHFFFAOYSA-N 0 0 474.985 4.650 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223846539 569924970 /nfs/dbraw/zinc/92/49/70/569924970.db2.gz YJWCUGPJOFNTDP-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccncc1 ZINC000223847135 569924988 /nfs/dbraw/zinc/92/49/88/569924988.db2.gz BWAZOLGSVIISIN-DQEYMECFSA-N 0 0 455.587 4.826 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223854310 569925208 /nfs/dbraw/zinc/92/52/08/569925208.db2.gz YSBMCFRAJPOJNS-MRXNPFEDSA-N 0 0 493.829 4.957 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223862466 569925457 /nfs/dbraw/zinc/92/54/57/569925457.db2.gz JHWAWNGDBBFSKJ-SFHVURJKSA-N 0 0 470.997 4.520 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223866358 569925602 /nfs/dbraw/zinc/92/56/02/569925602.db2.gz NLJZLCGRAAZJQS-CQSZACIVSA-N 0 0 457.785 4.887 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223869133 569925747 /nfs/dbraw/zinc/92/57/47/569925747.db2.gz FGZBKIIATVYSQF-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223880592 569926116 /nfs/dbraw/zinc/92/61/16/569926116.db2.gz NFMNGNGGXGRWJJ-DNQXCXABSA-N 0 0 470.554 4.542 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000223881235 569926119 /nfs/dbraw/zinc/92/61/19/569926119.db2.gz RXHNCLARRWSYGH-XDHUDOTRSA-N 0 0 485.005 4.736 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223880405 569926126 /nfs/dbraw/zinc/92/61/26/569926126.db2.gz MRELJOJDFDHKKB-RPWUZVMVSA-N 0 0 470.554 4.542 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(C)cc1 ZINC000223889227 569926367 /nfs/dbraw/zinc/92/63/67/569926367.db2.gz WBYJWOCVHQPFET-KRWDZBQOSA-N 0 0 463.441 4.793 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223889708 569926386 /nfs/dbraw/zinc/92/63/86/569926386.db2.gz XRQQKFQPFAKMGN-GOSISDBHSA-N 0 0 477.468 4.934 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223890163 569926424 /nfs/dbraw/zinc/92/64/24/569926424.db2.gz PSRBTWGZUAXSAS-LOSJGSFVSA-N 0 0 454.603 4.570 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1Br ZINC000223890374 569926431 /nfs/dbraw/zinc/92/64/31/569926431.db2.gz VJTHRTDAQIKSGI-QGZVFWFLSA-N 0 0 491.401 4.752 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000223900450 569926668 /nfs/dbraw/zinc/92/66/68/569926668.db2.gz RSRDTGDTNPVMBH-UHFFFAOYSA-N 0 0 475.545 4.646 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000223902905 569926750 /nfs/dbraw/zinc/92/67/50/569926750.db2.gz YWEYSQLSUCWAFO-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223910470 569926958 /nfs/dbraw/zinc/92/69/58/569926958.db2.gz IURFBKJOOASMPH-LJQANCHMSA-N 0 0 464.603 4.752 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223915528 569927144 /nfs/dbraw/zinc/92/71/44/569927144.db2.gz AAXZOBHCKUIGAI-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223916909 569927166 /nfs/dbraw/zinc/92/71/66/569927166.db2.gz ZTQSOFMOKCSYCO-LJQANCHMSA-N 0 0 456.995 4.764 40 0 JJABRN CN(c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223918260 569927234 /nfs/dbraw/zinc/92/72/34/569927234.db2.gz RCBDRSCDSHPFGT-UHFFFAOYSA-N 0 0 479.385 4.627 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 ZINC000223917590 569927247 /nfs/dbraw/zinc/92/72/47/569927247.db2.gz HROWPWQNDFYLDS-CLJLJLNGSA-N 0 0 497.624 4.902 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C ZINC000223919632 569927307 /nfs/dbraw/zinc/92/73/07/569927307.db2.gz KEZSSFJKIXZLOP-UHFFFAOYSA-N 0 0 472.994 4.591 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223921571 569927399 /nfs/dbraw/zinc/92/73/99/569927399.db2.gz YMQPLVOFOSWQPJ-IBGZPJMESA-N 0 0 475.427 4.697 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000223922477 569927410 /nfs/dbraw/zinc/92/74/10/569927410.db2.gz MPMCUYIPEDRCSW-UHFFFAOYSA-N 0 0 496.629 4.627 40 0 JJABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)nc1 ZINC000223923416 569927476 /nfs/dbraw/zinc/92/74/76/569927476.db2.gz SNWIKTJSDVLVOP-RRPNLBNLSA-N 0 0 496.640 4.589 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 ZINC000223924833 569927498 /nfs/dbraw/zinc/92/74/98/569927498.db2.gz YSLFRALMRFTEFL-FTJBHMTQSA-N 0 0 473.646 4.849 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1C1CC1 ZINC000223924942 569927523 /nfs/dbraw/zinc/92/75/23/569927523.db2.gz YSLFRALMRFTEFL-UIOOFZCWSA-N 0 0 473.646 4.849 40 0 JJABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1cccnc1 ZINC000223927252 569927535 /nfs/dbraw/zinc/92/75/35/569927535.db2.gz GIHASXRZZLEAID-KAYWLYCHSA-N 0 0 496.640 4.589 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3cccc(C)c3C)c2C)cc1 ZINC000223928487 569927545 /nfs/dbraw/zinc/92/75/45/569927545.db2.gz NKFWVVSBDHCVKD-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccc(N2CCOCC2)cc1 ZINC000223927998 569927585 /nfs/dbraw/zinc/92/75/85/569927585.db2.gz CUGAIMMZEOTPDQ-CLJLJLNGSA-N 0 0 485.613 4.538 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)cc1 ZINC000223928739 569927633 /nfs/dbraw/zinc/92/76/33/569927633.db2.gz UOGQEPNNTGDRIP-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223931696 569927647 /nfs/dbraw/zinc/92/76/47/569927647.db2.gz GNILQCZYYNVMNB-AWEZNQCLSA-N 0 0 469.782 4.728 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223931639 569927659 /nfs/dbraw/zinc/92/76/59/569927659.db2.gz GNILQCZYYNVMNB-CQSZACIVSA-N 0 0 469.782 4.728 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1Cl ZINC000223931115 569927685 /nfs/dbraw/zinc/92/76/85/569927685.db2.gz HXIXCNIAEMNWMQ-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223935048 569927792 /nfs/dbraw/zinc/92/77/92/569927792.db2.gz WODICOHNUZGRQW-QGZVFWFLSA-N 0 0 493.467 4.634 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000223939739 569927831 /nfs/dbraw/zinc/92/78/31/569927831.db2.gz WRQXDZMCWAKDLF-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)c1 ZINC000223942068 569927877 /nfs/dbraw/zinc/92/78/77/569927877.db2.gz RPTLXSOACNGTBE-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1c1ccc(N2CCOCC2)cc1 ZINC000223942428 569927972 /nfs/dbraw/zinc/92/79/72/569927972.db2.gz MSFAJPBAKBNWLG-KAYWLYCHSA-N 0 0 481.625 4.886 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000223946619 569928076 /nfs/dbraw/zinc/92/80/76/569928076.db2.gz BQCOLTHYEBIDNJ-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 ZINC000223950152 569928140 /nfs/dbraw/zinc/92/81/40/569928140.db2.gz OLOHKMXZWVHWAN-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)c1 ZINC000223949876 569928164 /nfs/dbraw/zinc/92/81/64/569928164.db2.gz YWIJIYLQPUOBES-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000223948459 569928188 /nfs/dbraw/zinc/92/81/88/569928188.db2.gz QKEZOMZFLBSGIK-UHFFFAOYSA-N 0 0 488.993 4.850 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223952364 569928207 /nfs/dbraw/zinc/92/82/07/569928207.db2.gz YMGRTGWUCHSVPY-ZDUSSCGKSA-N 0 0 488.209 4.688 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1c1ccc(N2CCOCC2)cc1 ZINC000223954831 569928301 /nfs/dbraw/zinc/92/83/01/569928301.db2.gz IXFPPCAMTIPZIX-SXOMAYOGSA-N 0 0 481.625 4.886 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000223955761 569928334 /nfs/dbraw/zinc/92/83/34/569928334.db2.gz PJVPPVJDQOMRTI-IBGZPJMESA-N 0 0 452.576 4.685 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223962412 569928566 /nfs/dbraw/zinc/92/85/66/569928566.db2.gz PHMHYLMCRZYGOE-LJQANCHMSA-N 0 0 475.427 4.860 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000223963765 569928624 /nfs/dbraw/zinc/92/86/24/569928624.db2.gz PANWFRZNFBUDPX-YIXXDRMTSA-N 0 0 488.628 4.937 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223963637 569928653 /nfs/dbraw/zinc/92/86/53/569928653.db2.gz OQLRDXXMHFNBSM-DQEYMECFSA-N 0 0 468.586 4.711 40 0 JJABRN CSc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000223965234 569928673 /nfs/dbraw/zinc/92/86/73/569928673.db2.gz DHKQQROHRRMEOF-UHFFFAOYSA-N 0 0 460.665 4.724 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000223968857 569928860 /nfs/dbraw/zinc/92/88/60/569928860.db2.gz GWQDRFSKFPMZOQ-BJKOFHAPSA-N 0 0 457.559 4.660 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000223977510 569929194 /nfs/dbraw/zinc/92/91/94/569929194.db2.gz NKECXLAYSVHHTG-VWLOTQADSA-N 0 0 462.590 4.951 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223977851 569929197 /nfs/dbraw/zinc/92/91/97/569929197.db2.gz PBHXAWCIZIWAAR-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223985057 569929448 /nfs/dbraw/zinc/92/94/48/569929448.db2.gz PZYFAXUCNVGTCB-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000223987111 569929540 /nfs/dbraw/zinc/92/95/40/569929540.db2.gz GLEQSVOPBXYLPP-XMMPIXPASA-N 0 0 454.611 4.921 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000223987162 569929546 /nfs/dbraw/zinc/92/95/46/569929546.db2.gz GLEQSVOPBXYLPP-DEOSSOPVSA-N 0 0 454.611 4.921 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000223994720 569929755 /nfs/dbraw/zinc/92/97/55/569929755.db2.gz KBMBSQHXWAFSTJ-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000224000457 569929948 /nfs/dbraw/zinc/92/99/48/569929948.db2.gz BHOWHOKIELUWQH-QZTJIDSGSA-N 0 0 460.378 4.811 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1c1ccc2c(c1)OCO2 ZINC000224000751 569930028 /nfs/dbraw/zinc/93/00/28/569930028.db2.gz HZMHJKYMPWJXHQ-ROUUACIJSA-N 0 0 460.378 4.811 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl ZINC000224007578 569930227 /nfs/dbraw/zinc/93/02/27/569930227.db2.gz XAKYDMPHQJIELN-UHFFFAOYSA-N 0 0 491.809 4.570 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000224012243 569930420 /nfs/dbraw/zinc/93/04/20/569930420.db2.gz MKPGCJMZNTXYJP-NEKDWFFYSA-N 0 0 488.628 4.937 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 ZINC000224012191 569930430 /nfs/dbraw/zinc/93/04/30/569930430.db2.gz MKPGCJMZNTXYJP-QDPGVEIFSA-N 0 0 488.628 4.937 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 ZINC000224012051 569930444 /nfs/dbraw/zinc/93/04/44/569930444.db2.gz QNAHSTRZTMGFCJ-LXFBAYGMSA-N 0 0 488.628 4.937 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000224014162 569930472 /nfs/dbraw/zinc/93/04/72/569930472.db2.gz JGYJHHUDSDEXER-SANMLTNESA-N 0 0 488.628 4.803 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224015521 569930529 /nfs/dbraw/zinc/93/05/29/569930529.db2.gz IFBVENCFMHCKQT-FQEVSTJZSA-N 0 0 454.636 4.713 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224015446 569930535 /nfs/dbraw/zinc/93/05/35/569930535.db2.gz HBJHFRQQZKNHFS-HXUWFJFHSA-N 0 0 454.636 4.713 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 ZINC000224014635 569930536 /nfs/dbraw/zinc/93/05/36/569930536.db2.gz RUPHFAFLBSEGHZ-ZBLYBZFDSA-N 0 0 476.592 4.932 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224015577 569930585 /nfs/dbraw/zinc/93/05/85/569930585.db2.gz IFBVENCFMHCKQT-HXUWFJFHSA-N 0 0 454.636 4.713 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000224018104 569930707 /nfs/dbraw/zinc/93/07/07/569930707.db2.gz PPTHQUFNDAVITF-VWLOTQADSA-N 0 0 470.610 4.587 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000224020932 569930803 /nfs/dbraw/zinc/93/08/03/569930803.db2.gz HQJDVPIMODGPDM-QHCPKHFHSA-N 0 0 461.002 4.760 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224023108 569930904 /nfs/dbraw/zinc/93/09/04/569930904.db2.gz BVMPRAIIXRRVMF-IZZNHLLZSA-N 0 0 483.597 4.844 40 0 JJABRN COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224024663 569930964 /nfs/dbraw/zinc/93/09/64/569930964.db2.gz BEEUSEDHKTYIEJ-RPBOFIJWSA-N 0 0 470.554 4.787 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccc2c(c1)OCO2 ZINC000224026963 569931037 /nfs/dbraw/zinc/93/10/37/569931037.db2.gz SLYMKRVXQRPOSO-XZOQPEGZSA-N 0 0 475.961 4.827 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccc2c(c1)OCO2 ZINC000224027128 569931075 /nfs/dbraw/zinc/93/10/75/569931075.db2.gz SLYMKRVXQRPOSO-PKTZIBPZSA-N 0 0 475.961 4.827 40 0 JJABRN C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)cn2)C1 ZINC000224027947 569931111 /nfs/dbraw/zinc/93/11/11/569931111.db2.gz DRGIPEBLQPVTOU-OALUTQOASA-N 0 0 456.631 4.738 40 0 JJABRN C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)cn2)C1 ZINC000224027828 569931137 /nfs/dbraw/zinc/93/11/37/569931137.db2.gz DRGIPEBLQPVTOU-RTBURBONSA-N 0 0 456.631 4.738 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224036740 569931396 /nfs/dbraw/zinc/93/13/96/569931396.db2.gz XFWWPQJZRBWQGO-LOSJGSFVSA-N 0 0 498.564 4.565 40 0 JJABRN COc1cccc(CN(C(=O)COc2cccc3ccccc32)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224035922 569931399 /nfs/dbraw/zinc/93/13/99/569931399.db2.gz VOAILBDIWVTNRB-HXUWFJFHSA-N 0 0 460.574 4.703 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224036154 569931403 /nfs/dbraw/zinc/93/14/03/569931403.db2.gz LEKHBQRDUJCAPP-JWQCQUIFSA-N 0 0 498.564 4.565 40 0 JJABRN COCCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1Cl ZINC000224046663 569931664 /nfs/dbraw/zinc/93/16/64/569931664.db2.gz AXBYRCAHCVIADV-FGZHOGPDSA-N 0 0 456.999 4.584 40 0 JJABRN COc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224046879 569931679 /nfs/dbraw/zinc/93/16/79/569931679.db2.gz SGXIKOIQVAZEQQ-QGZVFWFLSA-N 0 0 461.027 4.917 40 0 JJABRN Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224053613 569931852 /nfs/dbraw/zinc/93/18/52/569931852.db2.gz AMTHHBFJNIMSJR-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCOc2ccccc2)cc1 ZINC000224064162 569932119 /nfs/dbraw/zinc/93/21/19/569932119.db2.gz RNUGVBKIXUWNTI-UHFFFAOYSA-N 0 0 493.412 4.768 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F ZINC000224063945 569932121 /nfs/dbraw/zinc/93/21/21/569932121.db2.gz OFKJZPYPMKACMM-RUZDIDTESA-N 0 0 462.565 4.679 40 0 JJABRN COc1ccc(CN(C(=O)CCCOc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224064859 569932143 /nfs/dbraw/zinc/93/21/43/569932143.db2.gz YPPZCSUWKHMTJG-NRFANRHFSA-N 0 0 452.595 4.639 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224067527 569932231 /nfs/dbraw/zinc/93/22/31/569932231.db2.gz RZPSTUCUHCOINC-SFHVURJKSA-N 0 0 458.986 4.512 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224069702 569932371 /nfs/dbraw/zinc/93/23/71/569932371.db2.gz NPEFYUBAGQDVDX-GOSISDBHSA-N 0 0 458.599 4.544 40 0 JJABRN COc1ccc(CN(C(=O)CSCc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224073959 569932448 /nfs/dbraw/zinc/93/24/48/569932448.db2.gz HPAASKAZPZZCTH-HXUWFJFHSA-N 0 0 454.636 4.713 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000224075686 569932511 /nfs/dbraw/zinc/93/25/11/569932511.db2.gz VYKUXPIEFCUOHA-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000224077209 569932538 /nfs/dbraw/zinc/93/25/38/569932538.db2.gz YVUJGOHDQOHTKC-QGZVFWFLSA-N 0 0 463.405 4.891 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(C)cc3C)c2C)cc1 ZINC000224081454 569932707 /nfs/dbraw/zinc/93/27/07/569932707.db2.gz QZYMEUMOKOUZGX-UHFFFAOYSA-N 0 0 452.576 4.530 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2C)cc1 ZINC000224090715 569933042 /nfs/dbraw/zinc/93/30/42/569933042.db2.gz RJPWFBVKCIAIFW-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224102072 569933239 /nfs/dbraw/zinc/93/32/39/569933239.db2.gz OGYBPSGPAJTHNF-HHHXNRCGSA-N 0 0 458.602 4.712 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224103039 569933257 /nfs/dbraw/zinc/93/32/57/569933257.db2.gz RVMWLWXPHOBXGV-UHFFFAOYSA-N 0 0 472.651 4.522 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224106781 569933383 /nfs/dbraw/zinc/93/33/83/569933383.db2.gz LXUIKUXZQSNVPO-AREMUKBSSA-N 0 0 486.612 4.823 40 0 JJABRN Cc1cc(C)cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224109053 569933452 /nfs/dbraw/zinc/93/34/52/569933452.db2.gz NZOJRZYQMDFPTH-SFHVURJKSA-N 0 0 475.427 4.777 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl ZINC000224111011 569933543 /nfs/dbraw/zinc/93/35/43/569933543.db2.gz PJJQHCQAZSURIH-HNNXBMFYSA-N 0 0 481.818 4.813 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000224111283 569933575 /nfs/dbraw/zinc/93/35/75/569933575.db2.gz YXPXEWJKGUMQDP-RUZDIDTESA-N 0 0 474.601 4.549 40 0 JJABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 ZINC000224116778 569933715 /nfs/dbraw/zinc/93/37/15/569933715.db2.gz BHNBXYWDZGSPEM-UHFFFAOYSA-N 0 0 465.502 4.639 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000224120716 569933802 /nfs/dbraw/zinc/93/38/02/569933802.db2.gz UUDPXKXSKRWFSM-GOSISDBHSA-N 0 0 475.427 4.777 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000224121338 569933842 /nfs/dbraw/zinc/93/38/42/569933842.db2.gz OOJQFABRSOADJE-HNNXBMFYSA-N 0 0 465.819 4.977 40 0 JJABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000224128405 569934058 /nfs/dbraw/zinc/93/40/58/569934058.db2.gz QFHQDZUJXWISSS-QHCPKHFHSA-N 0 0 457.574 4.524 40 0 JJABRN Cc1ccccc1CN(C(=O)COc1ccc(Cl)cc1Br)[C@H](C)C(=O)NCC(C)C ZINC000224132610 569934147 /nfs/dbraw/zinc/93/41/47/569934147.db2.gz PIHLCKDTMICPBX-QGZVFWFLSA-N 0 0 495.845 4.979 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000224136617 569934201 /nfs/dbraw/zinc/93/42/01/569934201.db2.gz CTPXIQKPXDTGKR-UHFFFAOYSA-N 0 0 490.931 4.723 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000224138145 569934281 /nfs/dbraw/zinc/93/42/81/569934281.db2.gz HLAXHYAHCZFIJV-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224143128 569934293 /nfs/dbraw/zinc/93/42/93/569934293.db2.gz PDWKWLBOQBPQPF-HNNXBMFYSA-N 0 0 465.819 4.977 40 0 JJABRN Cc1ccc(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000224145898 569934450 /nfs/dbraw/zinc/93/44/50/569934450.db2.gz ANQHBZXEEHOLQT-GOSISDBHSA-N 0 0 459.428 4.940 40 0 JJABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000224147303 569934469 /nfs/dbraw/zinc/93/44/69/569934469.db2.gz MMNBKBOSWNQDIK-QHCPKHFHSA-N 0 0 452.595 4.503 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1Cl ZINC000224147035 569934475 /nfs/dbraw/zinc/93/44/75/569934475.db2.gz BVMBKLNCJISOGR-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 ZINC000224152620 569934619 /nfs/dbraw/zinc/93/46/19/569934619.db2.gz HIKFMWHQTYSQNC-SANMLTNESA-N 0 0 462.565 4.679 40 0 JJABRN Cc1cc(C)cc(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224157389 569934832 /nfs/dbraw/zinc/93/48/32/569934832.db2.gz ASKDKKATHLZGAE-SFHVURJKSA-N 0 0 459.428 4.940 40 0 JJABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1Cl ZINC000224169319 569935198 /nfs/dbraw/zinc/93/51/98/569935198.db2.gz MUHSLWVVSIKFLS-IBGZPJMESA-N 0 0 481.818 4.733 40 0 JJABRN CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000224210021 569936632 /nfs/dbraw/zinc/93/66/32/569936632.db2.gz MPRSIOIVIWXBLV-DLBZAZTESA-N 0 0 463.471 4.868 40 0 JJABRN CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)CC1 ZINC000224173383 569935343 /nfs/dbraw/zinc/93/53/43/569935343.db2.gz CPYMZZIDNYOSAB-UHFFFAOYSA-N 0 0 453.579 4.987 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224188644 569935772 /nfs/dbraw/zinc/93/57/72/569935772.db2.gz DJRNEKXEEJNXNX-DNQXCXABSA-N 0 0 454.555 4.836 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 ZINC000224188749 569935785 /nfs/dbraw/zinc/93/57/85/569935785.db2.gz DJRNEKXEEJNXNX-BJKOFHAPSA-N 0 0 454.555 4.836 40 0 JJABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000224190477 569935797 /nfs/dbraw/zinc/93/57/97/569935797.db2.gz QHNLSPWJOIVLHD-DEOSSOPVSA-N 0 0 466.622 4.811 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 ZINC000224188401 569935816 /nfs/dbraw/zinc/93/58/16/569935816.db2.gz HSIZJPYSXUEXCE-DNQXCXABSA-N 0 0 454.555 4.836 40 0 JJABRN 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ZINC000408623250 569979227 /nfs/dbraw/zinc/97/92/27/569979227.db2.gz DYDRSJLVUOMLST-UHFFFAOYSA-N 0 0 468.575 4.707 40 0 JJABRN CC(C)OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000408623147 569979244 /nfs/dbraw/zinc/97/92/44/569979244.db2.gz RALOSRYXRMYIMP-UDXLVXBTSA-N 0 0 451.522 4.823 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000408623380 569979261 /nfs/dbraw/zinc/97/92/61/569979261.db2.gz QJROYVCAZSFLEI-UHFFFAOYSA-N 0 0 495.439 4.728 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000225162519 569979374 /nfs/dbraw/zinc/97/93/74/569979374.db2.gz AQSBSQZFDJCUEW-SFHVURJKSA-N 0 0 461.002 4.623 40 0 JJABRN COc1cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl ZINC000408624184 569979633 /nfs/dbraw/zinc/97/96/33/569979633.db2.gz FXHHWKLKDZDHJA-UHFFFAOYSA-N 0 0 492.956 4.639 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1 ZINC000225167618 569979653 /nfs/dbraw/zinc/97/96/53/569979653.db2.gz NCKJTFGQQAQZNR-QGZVFWFLSA-N 0 0 491.401 4.833 40 0 JJABRN CC(C)OC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 ZINC000408624720 569979868 /nfs/dbraw/zinc/97/98/68/569979868.db2.gz VUXQUCOVKNYMPC-WLJAODTFSA-N 0 0 465.549 4.997 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000225170864 569979880 /nfs/dbraw/zinc/97/98/80/569979880.db2.gz WEEGAZISPGAUMQ-LJQANCHMSA-N 0 0 470.585 4.642 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)C2CCCCC2)cc1 ZINC000408625099 569979948 /nfs/dbraw/zinc/97/99/48/569979948.db2.gz VKTOHQWXNUJQQS-UHFFFAOYSA-N 0 0 450.988 4.701 40 0 JJABRN CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000225172216 569980001 /nfs/dbraw/zinc/98/00/01/569980001.db2.gz RFDGYETVFGAMLE-GOSISDBHSA-N 0 0 496.054 4.789 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1 ZINC000225174930 569980212 /nfs/dbraw/zinc/98/02/12/569980212.db2.gz IKTITERDEPLFDQ-UHFFFAOYSA-N 0 0 474.529 4.729 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 ZINC000225175916 569980373 /nfs/dbraw/zinc/98/03/73/569980373.db2.gz SZBXMAKEKYOYQX-SFHVURJKSA-N 0 0 473.411 4.694 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Cc1ccc(Br)cc1 ZINC000408626023 569980468 /nfs/dbraw/zinc/98/04/68/569980468.db2.gz XZVPWCRVUQWWFT-UHFFFAOYSA-N 0 0 489.391 4.642 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000408626280 569980551 /nfs/dbraw/zinc/98/05/51/569980551.db2.gz WAKMJJVNKUEPQD-UHFFFAOYSA-N 0 0 480.586 4.786 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(=O)(=O)c1ccccc1 ZINC000408626413 569980712 /nfs/dbraw/zinc/98/07/12/569980712.db2.gz XBXBAYRGHZILQS-UHFFFAOYSA-N 0 0 468.575 4.707 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000408626729 569980790 /nfs/dbraw/zinc/98/07/90/569980790.db2.gz WEWQWRJNRJJWBQ-UHFFFAOYSA-N 0 0 487.021 4.703 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1OC ZINC000225183634 569980926 /nfs/dbraw/zinc/98/09/26/569980926.db2.gz MXKMNRACMOYMDZ-RPWUZVMVSA-N 0 0 463.607 4.571 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408627250 569981048 /nfs/dbraw/zinc/98/10/48/569981048.db2.gz YUIFJRFGYCWITH-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ccccc43)C2)cc1Cl ZINC000408627184 569981066 /nfs/dbraw/zinc/98/10/66/569981066.db2.gz YHCUMXYRFJUJNX-SFHVURJKSA-N 0 0 472.994 4.931 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225188419 569981234 /nfs/dbraw/zinc/98/12/34/569981234.db2.gz UGMFDPWKWWQUSR-MSOLQXFVSA-N 0 0 477.992 4.785 40 0 JJABRN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000408627697 569981295 /nfs/dbraw/zinc/98/12/95/569981295.db2.gz OVJRJHINEYEBSZ-UHFFFAOYSA-N 0 0 463.386 4.665 40 0 JJABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Br)c1 ZINC000408628269 569981399 /nfs/dbraw/zinc/98/13/99/569981399.db2.gz 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YGBHDPQKHYWNLQ-UHFFFAOYSA-N 0 0 476.520 4.910 40 0 JJABRN C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000408640365 569988924 /nfs/dbraw/zinc/98/89/24/569988924.db2.gz AUXRYAQKSUHVMF-QKAVXHIFSA-N 0 0 489.330 4.570 40 0 JJABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408640424 569988928 /nfs/dbraw/zinc/98/89/28/569988928.db2.gz AZEMWOOLDDNNMG-OLMNPRSZSA-N 0 0 473.356 4.797 40 0 JJABRN CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000408640679 569988995 /nfs/dbraw/zinc/98/89/95/569988995.db2.gz BLWAFBHVJYKEIF-HBMCJLEFSA-N 0 0 452.938 4.534 40 0 JJABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1 ZINC000225301431 569989016 /nfs/dbraw/zinc/98/90/16/569989016.db2.gz IZYRJLAIAASCJE-XMMPIXPASA-N 0 0 473.013 4.984 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000225303419 569989111 /nfs/dbraw/zinc/98/91/11/569989111.db2.gz 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LVFLOLOEWYGFRI-UHFFFAOYSA-N 0 0 488.949 4.578 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl ZINC000408551912 570195390 /nfs/dbraw/zinc/19/53/90/570195390.db2.gz JOMMPRRGTXWCIM-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 ZINC000408552766 570195642 /nfs/dbraw/zinc/19/56/42/570195642.db2.gz NPOZYFQDZCHOCA-UHFFFAOYSA-N 0 0 495.782 4.921 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)Cc2ccccc2)cc1C ZINC000408553451 570195746 /nfs/dbraw/zinc/19/57/46/570195746.db2.gz WNLDODQYRWLXIO-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000408554434 570196184 /nfs/dbraw/zinc/19/61/84/570196184.db2.gz RYABVBBCVCJYNK-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408555212 570196670 /nfs/dbraw/zinc/19/66/70/570196670.db2.gz FJCNRDFEMRLYKK-GOSISDBHSA-N 0 0 462.493 4.898 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 ZINC000408555915 570197051 /nfs/dbraw/zinc/19/70/51/570197051.db2.gz BGKGYCARGOUPPL-UHFFFAOYSA-N 0 0 457.379 4.576 40 0 JJABRN CCC[C@H](C)NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409305334 570197917 /nfs/dbraw/zinc/19/79/17/570197917.db2.gz VQTAGQVTAZWPAR-INIZCTEOSA-N 0 0 457.423 4.798 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3Cl)C2)cc1C ZINC000408557098 570197986 /nfs/dbraw/zinc/19/79/86/570197986.db2.gz KZMUQTRFIWBYBF-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1C ZINC000408557142 570198042 /nfs/dbraw/zinc/19/80/42/570198042.db2.gz LIEWICFKZZKPLM-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408557383 570198132 /nfs/dbraw/zinc/19/81/32/570198132.db2.gz MKZOBDSAEAZJLS-GOSISDBHSA-N 0 0 458.967 4.541 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408557720 570198460 /nfs/dbraw/zinc/19/84/60/570198460.db2.gz HNBGRETWNYOSMJ-OAHLLOKOSA-N 0 0 475.364 4.547 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408558160 570198811 /nfs/dbraw/zinc/19/88/11/570198811.db2.gz IQNZFJAIAPPUMQ-GFCCVEGCSA-N 0 0 456.873 4.818 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409310532 570199067 /nfs/dbraw/zinc/19/90/67/570199067.db2.gz ASAYQMLUGIXIHR-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(Cl)cccc3Cl)C2)cc1C ZINC000408559120 570199511 /nfs/dbraw/zinc/19/95/11/570199511.db2.gz VOEYCQDBMNGRHK-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559456 570199812 /nfs/dbraw/zinc/19/98/12/570199812.db2.gz XFDWKQXNRPLMST-UHFFFAOYSA-N 0 0 458.967 4.812 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409314529 570199827 /nfs/dbraw/zinc/19/98/27/570199827.db2.gz LBRVHWDHDVSLPB-UHFFFAOYSA-N 0 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ZINC000408561253 570200907 /nfs/dbraw/zinc/20/09/07/570200907.db2.gz RNCODTSFMKFGHD-UHFFFAOYSA-N 0 0 490.965 4.809 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(=O)c1ccccc1F ZINC000408561197 570200917 /nfs/dbraw/zinc/20/09/17/570200917.db2.gz RFPAITPAEGBIIR-UHFFFAOYSA-N 0 0 460.552 4.999 40 0 JJABRN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408561269 570200921 /nfs/dbraw/zinc/20/09/21/570200921.db2.gz RPYGXVKNJPPJQS-HXUWFJFHSA-N 0 0 467.349 4.661 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1F ZINC000408561600 570201159 /nfs/dbraw/zinc/20/11/59/570201159.db2.gz TZCXGCFKAORMQS-UHFFFAOYSA-N 0 0 468.428 4.663 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000409322149 570201366 /nfs/dbraw/zinc/20/13/66/570201366.db2.gz IZOOGFPGHSXTKL-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000408562082 570201536 /nfs/dbraw/zinc/20/15/36/570201536.db2.gz MQTADGJWKLEWBD-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408562740 570201961 /nfs/dbraw/zinc/20/19/61/570201961.db2.gz RWWDZFHCXNPXAA-UHFFFAOYSA-N 0 0 470.978 4.807 40 0 JJABRN Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)c(Cl)c1 ZINC000408563138 570202100 /nfs/dbraw/zinc/20/21/00/570202100.db2.gz IUAMWRFBBVXDPH-QGZVFWFLSA-N 0 0 461.665 4.912 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000409327910 570202734 /nfs/dbraw/zinc/20/27/34/570202734.db2.gz XXRIXCXRERGLCE-UHFFFAOYSA-N 0 0 493.629 4.586 40 0 JJABRN CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000409328379 570203015 /nfs/dbraw/zinc/20/30/15/570203015.db2.gz TZNRCHYCJQUDMH-UHFFFAOYSA-N 0 0 459.575 4.672 40 0 JJABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408573552 570205233 /nfs/dbraw/zinc/20/52/33/570205233.db2.gz BTKJBKKLBXECPV-UHFFFAOYSA-N 0 0 497.338 4.918 40 0 JJABRN O=C(NCCc1ccccc1)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408574872 570205525 /nfs/dbraw/zinc/20/55/25/570205525.db2.gz DODFFVIJHDVOTC-UHFFFAOYSA-N 0 0 495.366 4.629 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408575677 570205711 /nfs/dbraw/zinc/20/57/11/570205711.db2.gz PEUMEALZQZCWGQ-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408575673 570205727 /nfs/dbraw/zinc/20/57/27/570205727.db2.gz FGNUZTWHUFWIAS-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000408576233 570205870 /nfs/dbraw/zinc/20/58/70/570205870.db2.gz FYJHVZDDYJUJKE-LJQANCHMSA-N 0 0 495.501 4.935 40 0 JJABRN O=C(Nc1ccccc1)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 ZINC000408576813 570206032 /nfs/dbraw/zinc/20/60/32/570206032.db2.gz NIIBNDFPPQTKGC-UHFFFAOYSA-N 0 0 495.308 4.504 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Sc2ccccc2)cc1OC ZINC000408577195 570206109 /nfs/dbraw/zinc/20/61/09/570206109.db2.gz XESZYVUPVLFZHB-GOSISDBHSA-N 0 0 464.587 4.796 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000408577484 570206111 /nfs/dbraw/zinc/20/61/11/570206111.db2.gz IJECDJINHVTBLM-LJQANCHMSA-N 0 0 491.975 4.660 40 0 JJABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408580140 570206562 /nfs/dbraw/zinc/20/65/62/570206562.db2.gz QFGSQUWTPDHBPX-LJQANCHMSA-N 0 0 495.501 4.670 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000408580759 570206671 /nfs/dbraw/zinc/20/66/71/570206671.db2.gz DUCSGCUWRPMFFF-UHFFFAOYSA-N 0 0 461.971 4.708 40 0 JJABRN Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1C ZINC000408582179 570206875 /nfs/dbraw/zinc/20/68/75/570206875.db2.gz BURZRBBBRWLBFE-JOCHJYFZSA-N 0 0 487.419 4.594 40 0 JJABRN O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000408582121 570206894 /nfs/dbraw/zinc/20/68/94/570206894.db2.gz VNLBLIQJLDIMTE-GOSISDBHSA-N 0 0 496.394 4.958 40 0 JJABRN COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000408582106 570206900 /nfs/dbraw/zinc/20/69/00/570206900.db2.gz VMSLUSWUYBSNEX-LJQANCHMSA-N 0 0 491.975 4.579 40 0 JJABRN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3cccc(C)c3)CC2=O)cc1 ZINC000408583079 570207163 /nfs/dbraw/zinc/20/71/63/570207163.db2.gz YQUBQOZDMNNRMC-QFIPXVFZSA-N 0 0 485.584 4.705 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 ZINC000408582894 570207179 /nfs/dbraw/zinc/20/71/79/570207179.db2.gz FSNDZDPFRQSXEN-NRFANRHFSA-N 0 0 466.603 4.621 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000408583549 570207330 /nfs/dbraw/zinc/20/73/30/570207330.db2.gz IGFPZISZISHKBG-OAQYLSRUSA-N 0 0 499.032 4.655 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408583569 570207345 /nfs/dbraw/zinc/20/73/45/570207345.db2.gz ILXWNQMOOYNVSX-MHZLTWQESA-N 0 0 484.621 4.790 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1Cl ZINC000408584236 570207552 /nfs/dbraw/zinc/20/75/52/570207552.db2.gz NGUIWIPXMMEELQ-UHFFFAOYSA-N 0 0 465.015 4.703 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000408584363 570207619 /nfs/dbraw/zinc/20/76/19/570207619.db2.gz OQYQUMSGOIHYPI-OAQYLSRUSA-N 0 0 450.604 4.866 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NC1CCCCCCC1 ZINC000408584943 570207752 /nfs/dbraw/zinc/20/77/52/570207752.db2.gz WXXXUGIIAWIGNV-UHFFFAOYSA-N 0 0 468.978 4.888 40 0 JJABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000408586263 570208154 /nfs/dbraw/zinc/20/81/54/570208154.db2.gz MWSAWWYJEKHZPZ-UHFFFAOYSA-N 0 0 452.838 4.737 40 0 JJABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408587538 570208379 /nfs/dbraw/zinc/20/83/79/570208379.db2.gz DSRXWKHURAUCRA-MRXNPFEDSA-N 0 0 450.988 4.665 40 0 JJABRN 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521491603 /nfs/dbraw/zinc/49/16/03/521491603.db2.gz KRUWFLWDZHVYCE-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937968 521492199 /nfs/dbraw/zinc/49/21/99/521492199.db2.gz UGWYJMPAHSTACG-LJQANCHMSA-N 0 0 484.643 4.880 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000044900699 521500260 /nfs/dbraw/zinc/50/02/60/521500260.db2.gz JQHWGZLCIUGXQE-UHFFFAOYSA-N 0 0 484.643 4.952 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000044900848 521543392 /nfs/dbraw/zinc/54/33/92/521543392.db2.gz HYTISKQSMLBMRS-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000013668537 521544248 /nfs/dbraw/zinc/54/42/48/521544248.db2.gz FVQQOLADTNUXPT-AREMUKBSSA-N 0 0 474.582 4.932 40 0 JJABRN COC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)COc1ccc(Cl)cc1C ZINC000008926620 521751537 /nfs/dbraw/zinc/75/15/37/521751537.db2.gz CFMBJLLSIIXAKL-UHFFFAOYSA-N 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CCn1c2ccccc2c2cc(NC(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 ZINC000016162930 523274797 /nfs/dbraw/zinc/27/47/97/523274797.db2.gz AEBSWAWRQCKLEO-UHFFFAOYSA-N 0 0 477.586 4.616 40 0 JJABRN CCn1c2nnc(CSc3nccn3-c3cccc(Cl)c3C)n2c2ccccc2c1=O ZINC000029442215 523299844 /nfs/dbraw/zinc/29/98/44/523299844.db2.gz ASARKTVOGIONAV-UHFFFAOYSA-N 0 0 450.955 4.504 40 0 JJABRN COC(=O)[C@@H](CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O ZINC000004758106 523561604 /nfs/dbraw/zinc/56/16/04/523561604.db2.gz KUKPNGPOZNZSKC-PEUICCOISA-N 0 0 488.621 4.561 40 0 JJABRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291833 523615474 /nfs/dbraw/zinc/61/54/74/523615474.db2.gz UFIKVRUUDBFTKZ-UHFFFAOYSA-N 0 0 478.614 4.712 40 0 JJABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@@H]([C@H](C)C(=O)N4CCC(C)CC4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000020466226 523739460 /nfs/dbraw/zinc/73/94/60/523739460.db2.gz KBMOCQZCBIHWQM-DQZWIMGWSA-N 0 0 484.681 4.512 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NCc4cccs4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000020466253 523739562 /nfs/dbraw/zinc/73/95/62/523739562.db2.gz OKVYVQHCLCSBBT-DNFKRXILSA-N 0 0 498.689 4.631 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 ZINC000020024790 523742753 /nfs/dbraw/zinc/74/27/53/523742753.db2.gz YTWZHLVDUFTWQE-UHFFFAOYSA-N 0 0 496.429 4.770 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(F)cc4)n3)cn2)cc1 ZINC000049155206 523746997 /nfs/dbraw/zinc/74/69/97/523746997.db2.gz JEOQRPWKSTWWDV-QFIPXVFZSA-N 0 0 473.508 4.869 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Br ZINC000022531386 523756764 /nfs/dbraw/zinc/75/67/64/523756764.db2.gz JUIRSVMHNPADPW-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(=O)(=O)NC(C)C ZINC000016575486 523760074 /nfs/dbraw/zinc/76/00/74/523760074.db2.gz METIHTTUJYDWHF-UHFFFAOYSA-N 0 0 456.589 4.785 40 0 JJABRN CCc1cc(C(=O)c2cccc(F)c2)c(NC(=O)CN2CCN(c3ccccc3F)CC2)s1 ZINC000035288778 523778664 /nfs/dbraw/zinc/77/86/64/523778664.db2.gz ODXNHBNPIJEQSB-UHFFFAOYSA-N 0 0 469.557 4.580 40 0 JJABRN CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 ZINC000016161306 523788759 /nfs/dbraw/zinc/78/87/59/523788759.db2.gz SYSSIVHIKDLMQU-UHFFFAOYSA-N 0 0 468.360 4.768 40 0 JJABRN CCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000045890359 523789282 /nfs/dbraw/zinc/78/92/82/523789282.db2.gz SDPBBALFHJGZOT-UHFFFAOYSA-N 0 0 456.178 4.991 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686531 523804670 /nfs/dbraw/zinc/80/46/70/523804670.db2.gz YZGYNRXJBDGJPW-XMMPIXPASA-N 0 0 485.650 4.549 40 0 JJABRN CN(C(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000022428968 523815312 /nfs/dbraw/zinc/81/53/12/523815312.db2.gz GVBMVYPZPJFROP-UHFFFAOYSA-N 0 0 454.514 4.692 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000020014320 523847257 /nfs/dbraw/zinc/84/72/57/523847257.db2.gz GFFPUHHYYHOWQS-UHFFFAOYSA-N 0 0 498.910 4.908 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020007100 523850080 /nfs/dbraw/zinc/85/00/80/523850080.db2.gz DCONTKDFMZCGBW-FQEVSTJZSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020495070 523909516 /nfs/dbraw/zinc/90/95/16/523909516.db2.gz UFXSGBFJEGYIGI-UHFFFAOYSA-N 0 0 465.358 4.984 40 0 JJABRN COc1ccc(CCN2C(=O)c3c(oc4ccccc4c3=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000041105015 523946642 /nfs/dbraw/zinc/94/66/42/523946642.db2.gz MXFOMMDPIRIAOR-DEOSSOPVSA-N 0 0 459.473 4.737 40 0 JJABRN CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013677118 523989506 /nfs/dbraw/zinc/98/95/06/523989506.db2.gz QLNKNUVTBXPCLK-QGZVFWFLSA-N 0 0 455.407 4.736 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCCc4ccccc43)cc2c1 ZINC000006135281 524058527 /nfs/dbraw/zinc/05/85/27/524058527.db2.gz NKKGNBFDIUAFBW-XMMPIXPASA-N 0 0 456.594 4.764 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1 ZINC000022511010 524160539 /nfs/dbraw/zinc/16/05/39/524160539.db2.gz PSJHKACRBPTFLJ-UHFFFAOYSA-N 0 0 477.586 4.792 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431704 524214639 /nfs/dbraw/zinc/21/46/39/524214639.db2.gz ATXNWYXGVWEIBK-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN Cc1ccc(C2=N/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)O2)cc1Cl ZINC000017086191 524230775 /nfs/dbraw/zinc/23/07/75/524230775.db2.gz AUWCEPYWUSDKHA-FYJGNVAPSA-N 0 0 453.903 4.761 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016362262 524232430 /nfs/dbraw/zinc/23/24/30/524232430.db2.gz XPTTZJPKLKVYOK-UHFFFAOYSA-N 0 0 450.604 4.991 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449611 524242489 /nfs/dbraw/zinc/24/24/89/524242489.db2.gz VDMZOXMENKSMMF-AWEZNQCLSA-N 0 0 474.941 4.880 40 0 JJABRN COc1ccccc1-c1nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(=S)n1-n1cccc1 ZINC000016778025 524283841 /nfs/dbraw/zinc/28/38/41/524283841.db2.gz BOYBOCNJBIHPTD-UHFFFAOYSA-N 0 0 453.955 4.803 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c(Br)c1 ZINC000022715707 524310313 /nfs/dbraw/zinc/31/03/13/524310313.db2.gz HAWXJYXYYLCVRY-UHFFFAOYSA-N 0 0 479.330 4.884 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000022539584 524321532 /nfs/dbraw/zinc/32/15/32/524321532.db2.gz JVHJWCOXPSIIBP-HYBUGGRVSA-N 0 0 468.594 4.518 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000020004960 524323076 /nfs/dbraw/zinc/32/30/76/524323076.db2.gz UGRBNMHNQLLLEK-CLJLJLNGSA-N 0 0 476.642 4.695 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1C ZINC000022536828 524329046 /nfs/dbraw/zinc/32/90/46/524329046.db2.gz SFGWQMKEOOPOGC-JOCHJYFZSA-N 0 0 480.630 4.689 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1C ZINC000022537485 524329784 /nfs/dbraw/zinc/32/97/84/524329784.db2.gz STWHDXFCRBVBRX-GOSISDBHSA-N 0 0 479.042 4.742 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000022535619 524331838 /nfs/dbraw/zinc/33/18/38/524331838.db2.gz PVKWHZMQAAXPTI-FQEVSTJZSA-N 0 0 460.615 4.952 40 0 JJABRN COc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020457866 524357403 /nfs/dbraw/zinc/35/74/03/524357403.db2.gz CHGWXRHCTPWMCS-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428317 524362690 /nfs/dbraw/zinc/36/26/90/524362690.db2.gz LYQGNPWLIXWCOG-UHFFFAOYSA-N 0 0 450.604 4.972 40 0 JJABRN Cc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000020493307 524381012 /nfs/dbraw/zinc/38/10/12/524381012.db2.gz FXIJDKCKEJIFOJ-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013631870 524415359 /nfs/dbraw/zinc/41/53/59/524415359.db2.gz MFEZJQXFICAIGV-UHFFFAOYSA-N 0 0 462.493 4.526 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)c1 ZINC000033255002 524421628 /nfs/dbraw/zinc/42/16/28/524421628.db2.gz LWDHINKTXOFYTC-UHFFFAOYSA-N 0 0 487.560 4.579 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000022429427 524426850 /nfs/dbraw/zinc/42/68/50/524426850.db2.gz IIHNMMKJSPXZSM-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020455736 524435339 /nfs/dbraw/zinc/43/53/39/524435339.db2.gz XQLBOQFRPLABDV-HHHXNRCGSA-N 0 0 460.599 4.784 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 ZINC000013506182 524508700 /nfs/dbraw/zinc/50/87/00/524508700.db2.gz ZZLPUCROJZWACN-VWLOTQADSA-N 0 0 475.614 4.620 40 0 JJABRN Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)c1C ZINC000013676993 524648904 /nfs/dbraw/zinc/64/89/04/524648904.db2.gz JWVGGZVDBICJJY-QGZVFWFLSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Br ZINC000016323236 524665958 /nfs/dbraw/zinc/66/59/58/524665958.db2.gz DTPMITBQIQDNEC-UHFFFAOYSA-N 0 0 451.386 4.647 40 0 JJABRN COc1ccc(NCc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000006136725 524681031 /nfs/dbraw/zinc/68/10/31/524681031.db2.gz JVJRJZGNMCWSPR-UHFFFAOYSA-N 0 0 453.549 4.545 40 0 JJABRN C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NCc5cccs5)nnc4c23)C1 ZINC000013502602 524726762 /nfs/dbraw/zinc/72/67/62/524726762.db2.gz LMJGDTUGRPPMAK-GFCCVEGCSA-N 0 0 469.661 4.811 40 0 JJABRN Cc1ccc(Cl)cc1N1CCN([C@@H](c2nnnn2Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000013505269 524738160 /nfs/dbraw/zinc/73/81/60/524738160.db2.gz HGKQEWOKKFNRES-HSZRJFAPSA-N 0 0 483.016 4.795 40 0 JJABRN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-n3cccc3)c2=S)c1 ZINC000016807143 524854999 /nfs/dbraw/zinc/85/49/99/524854999.db2.gz NFQYMCMBMQXOJO-UHFFFAOYSA-N 0 0 469.954 4.503 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429308 524887586 /nfs/dbraw/zinc/88/75/86/524887586.db2.gz USHAAZRTZGTDRA-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000022535571 524947865 /nfs/dbraw/zinc/94/78/65/524947865.db2.gz QYRCRXKNEBALCT-INIZCTEOSA-N 0 0 497.430 4.789 40 0 JJABRN C[C@H]1Cc2cc(C(=O)N(C)Cc3ccccc3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448662 524980390 /nfs/dbraw/zinc/98/03/90/524980390.db2.gz SCJVXCHJVSCROA-KRWDZBQOSA-N 0 0 454.979 4.752 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NCC(C)C)cc3c2)cc1Cl ZINC000020448104 525005808 /nfs/dbraw/zinc/00/58/08/525005808.db2.gz ZWLNHVUGUZPWGD-UHFFFAOYSA-N 0 0 467.012 4.774 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000022539968 525030727 /nfs/dbraw/zinc/03/07/27/525030727.db2.gz RQBQKLWOURFJLZ-OALUTQOASA-N 0 0 479.042 4.552 40 0 JJABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000022751394 525051340 /nfs/dbraw/zinc/05/13/40/525051340.db2.gz ACJCBQMFUMBHBD-UHFFFAOYSA-N 0 0 493.032 4.738 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000044903054 525073837 /nfs/dbraw/zinc/07/38/37/525073837.db2.gz QDXSMWMRGNTYQM-HSZRJFAPSA-N 0 0 458.624 4.633 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000016128233 525087353 /nfs/dbraw/zinc/08/73/53/525087353.db2.gz HCPZRVRCVIEETP-UHFFFAOYSA-N 0 0 450.438 4.767 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535832 525099384 /nfs/dbraw/zinc/09/93/84/525099384.db2.gz RSUVPYPOMSTRFD-MRXNPFEDSA-N 0 0 478.948 4.687 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000022428948 525099494 /nfs/dbraw/zinc/09/94/94/525099494.db2.gz PSMNXUPZTOEVIF-MRXNPFEDSA-N 0 0 480.483 4.917 40 0 JJABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000022535564 525100216 /nfs/dbraw/zinc/10/02/16/525100216.db2.gz QYRCRXKNEBALCT-MRXNPFEDSA-N 0 0 497.430 4.789 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000044901810 525103712 /nfs/dbraw/zinc/10/37/12/525103712.db2.gz FEVFEWSHOUPNBG-UHFFFAOYSA-N 0 0 456.589 4.844 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1OC ZINC000020023809 525133421 /nfs/dbraw/zinc/13/34/21/525133421.db2.gz IURVYCUNHLXMQL-WOJBJXKFSA-N 0 0 496.629 4.553 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000020457495 525141727 /nfs/dbraw/zinc/14/17/27/525141727.db2.gz WITSGSUGTXVGJS-HXUWFJFHSA-N 0 0 466.603 4.769 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000044883202 525174924 /nfs/dbraw/zinc/17/49/24/525174924.db2.gz IIYFTDLEKKIPEP-JOCHJYFZSA-N 0 0 465.015 4.650 40 0 JJABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000020482625 525218874 /nfs/dbraw/zinc/21/88/74/525218874.db2.gz QGOKQUJAFWIFQL-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1C ZINC000040399444 525219849 /nfs/dbraw/zinc/21/98/49/525219849.db2.gz ZLQANGHBWQDXLS-INIZCTEOSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c(C)c1 ZINC000040399448 525220118 /nfs/dbraw/zinc/22/01/18/525220118.db2.gz QYLDTPSNVOAKKG-HNNXBMFYSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536881 525271360 /nfs/dbraw/zinc/27/13/60/525271360.db2.gz CTDGIUCYGUIPAA-NRFANRHFSA-N 0 0 466.603 4.977 40 0 JJABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000022534991 525279745 /nfs/dbraw/zinc/27/97/45/525279745.db2.gz SGEAVFKVNXGUBX-MSOLQXFVSA-N 0 0 456.539 4.650 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)c(OC)c1 ZINC000012475624 525286705 /nfs/dbraw/zinc/28/67/05/525286705.db2.gz KTCHQWZIBZYCQL-MUUNZHRXSA-N 0 0 489.616 4.909 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022534481 525305892 /nfs/dbraw/zinc/30/58/92/525305892.db2.gz AITDGZFZMODUDC-INIZCTEOSA-N 0 0 476.957 4.560 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000022531166 525305912 /nfs/dbraw/zinc/30/59/12/525305912.db2.gz FVOVIOZZGVDWRK-ZBBKGZSWSA-N 0 0 496.673 4.806 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000020482577 525314398 /nfs/dbraw/zinc/31/43/98/525314398.db2.gz HACTZTARPKGYIZ-INIZCTEOSA-N 0 0 488.993 4.957 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020454535 525347444 /nfs/dbraw/zinc/34/74/44/525347444.db2.gz KYPMYZWPCFITRR-SANMLTNESA-N 0 0 496.629 4.803 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429157 525348310 /nfs/dbraw/zinc/34/83/10/525348310.db2.gz FTDUNZJHHQDXOI-VWLOTQADSA-N 0 0 484.593 4.933 40 0 JJABRN Cc1ccc(OCC(=O)Nn2c(COc3ccccc3)nc3ccccc3c2=O)c(C(C)C)c1 ZINC000033586262 525397045 /nfs/dbraw/zinc/39/70/45/525397045.db2.gz BIOGWJFENFRWGN-UHFFFAOYSA-N 0 0 457.530 4.556 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1C ZINC000013506219 525397942 /nfs/dbraw/zinc/39/79/42/525397942.db2.gz NHBAWZFYRCQFQB-AREMUKBSSA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccc(OCCNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020456412 525423283 /nfs/dbraw/zinc/42/32/83/525423283.db2.gz UZFAKXKLKCLWSP-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000022526272 525425278 /nfs/dbraw/zinc/42/52/78/525425278.db2.gz ZITYWIGTJHJOJV-AREMUKBSSA-N 0 0 450.604 4.790 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000017959300 525501819 /nfs/dbraw/zinc/50/18/19/525501819.db2.gz NHKQCXVHTLQXLD-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccc(Cl)c2C)cc1 ZINC000020454948 525504557 /nfs/dbraw/zinc/50/45/57/525504557.db2.gz NHOYMRMWAVVPDV-UHFFFAOYSA-N 0 0 460.958 4.608 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cc(Cl)ccc2C)cc1 ZINC000020488608 525505774 /nfs/dbraw/zinc/50/57/74/525505774.db2.gz RWKFSZRBPRUTMV-UHFFFAOYSA-N 0 0 460.958 4.608 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cc(C)cc(C)c2)cc1 ZINC000022430492 525506192 /nfs/dbraw/zinc/50/61/92/525506192.db2.gz OZPMHKOMAKPLHH-UHFFFAOYSA-N 0 0 480.630 4.911 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cc(C)cc(C)c2)cc1 ZINC000022430511 525506763 /nfs/dbraw/zinc/50/67/63/525506763.db2.gz LBYHUOYLQBGABJ-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(C)cc2C)cc1 ZINC000022430366 525507972 /nfs/dbraw/zinc/50/79/72/525507972.db2.gz WZWMGGWTOFCBTI-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2cccc(Cl)c2)cc1 ZINC000020012469 525508885 /nfs/dbraw/zinc/50/88/85/525508885.db2.gz XCLDAUQTWIDTDK-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3C[C@@H]2C)cc1 ZINC000022606130 525559022 /nfs/dbraw/zinc/55/90/22/525559022.db2.gz DNWFBARZFYNYED-ZWKOTPCHSA-N 0 0 452.551 4.765 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022539516 525590086 /nfs/dbraw/zinc/59/00/86/525590086.db2.gz SNBIXIOBFZYXQK-BKMJKUGQSA-N 0 0 464.631 4.687 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCc4ccccc43)c(Cl)c2)cc1 ZINC000020108389 525596848 /nfs/dbraw/zinc/59/68/48/525596848.db2.gz ZUYOQIDYVXBGNV-UHFFFAOYSA-N 0 0 484.021 4.632 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSc3ccccc3)c(Cl)c2)cc1 ZINC000038773007 525600638 /nfs/dbraw/zinc/60/06/38/525600638.db2.gz IINMVAAXYCLGFT-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cc2cccs2)cc1 ZINC000012476133 525678344 /nfs/dbraw/zinc/67/83/44/525678344.db2.gz WHSNAMWOBYXGAQ-DHLKQENFSA-N 0 0 454.636 4.797 40 0 JJABRN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O ZINC000016778795 525692233 /nfs/dbraw/zinc/69/22/33/525692233.db2.gz HQCHHBMXIBZMJE-DEOSSOPVSA-N 0 0 475.928 4.871 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428543 525694945 /nfs/dbraw/zinc/69/49/45/525694945.db2.gz JHXVHXNQCXGGGP-GOSISDBHSA-N 0 0 487.419 4.830 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430358 525695225 /nfs/dbraw/zinc/69/52/25/525695225.db2.gz JCSOOQUOWJEMCT-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429450 525759194 /nfs/dbraw/zinc/75/91/94/525759194.db2.gz HKZHIFOQFZHWDV-QGZVFWFLSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1 ZINC000009489972 525842879 /nfs/dbraw/zinc/84/28/79/525842879.db2.gz CVUFURIXCAINAK-JRQSSSKMSA-N 0 0 488.466 4.886 40 0 JJABRN COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000038756907 525890281 /nfs/dbraw/zinc/89/02/81/525890281.db2.gz LFBLLTPJWVDLOK-UHFFFAOYSA-N 0 0 472.994 4.820 40 0 JJABRN C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467351 525962559 /nfs/dbraw/zinc/96/25/59/525962559.db2.gz IXXDMIVXAUMCAE-WVGCIGGVSA-N 0 0 473.633 4.788 40 0 biogenic,in-vitro JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000044884480 525963593 /nfs/dbraw/zinc/96/35/93/525963593.db2.gz LCNIVUWOJCUMFO-MUUNZHRXSA-N 0 0 490.669 4.875 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020455372 525964232 /nfs/dbraw/zinc/96/42/32/525964232.db2.gz FDFVOZFTVPUPPS-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036107358 525965776 /nfs/dbraw/zinc/96/57/76/525965776.db2.gz PPKXEIHIMSSBAE-FDDCHVKYSA-N 0 0 456.995 4.709 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000020018291 526055920 /nfs/dbraw/zinc/05/59/20/526055920.db2.gz QQHRIIAYJYBFDG-GOSISDBHSA-N 0 0 468.644 4.840 40 0 JJABRN C[C@H](C(=O)NCc1ccccc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466261 526084275 /nfs/dbraw/zinc/08/42/75/526084275.db2.gz CJSQVPUJKLPVDP-AZCBIJCDSA-N 0 0 462.634 4.561 40 0 biogenic,in-vitro JJABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3Br)cc2c1 ZINC000006408454 526096763 /nfs/dbraw/zinc/09/67/63/526096763.db2.gz WYXQKGWTLFTKJL-UHFFFAOYSA-N 0 0 487.375 4.583 40 0 JJABRN COc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000020488036 526133901 /nfs/dbraw/zinc/13/39/01/526133901.db2.gz ISXYFOQLSDOFFJ-RUZDIDTESA-N 0 0 466.603 4.794 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1C ZINC000022744660 526143273 /nfs/dbraw/zinc/14/32/73/526143273.db2.gz SUFCZGDSLXDTCG-UHFFFAOYSA-N 0 0 486.641 4.701 40 0 JJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)c(C)c1 ZINC000022757447 526143658 /nfs/dbraw/zinc/14/36/58/526143658.db2.gz GFVVLMJXTZKPHD-UHFFFAOYSA-N 0 0 497.020 4.639 40 0 JJABRN COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448584 526202457 /nfs/dbraw/zinc/20/24/57/526202457.db2.gz MEIFMYDPZUQRJT-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000022713698 526216450 /nfs/dbraw/zinc/21/64/50/526216450.db2.gz BNKCIKAHQYZMDU-UHFFFAOYSA-N 0 0 477.542 4.961 40 0 JJABRN Cc1ccc(C(=O)OCC(=O)c2ccccc2)cc1N1C(=O)c2c(c3ccccc3nc2C)C1=O ZINC000016347134 526236623 /nfs/dbraw/zinc/23/66/23/526236623.db2.gz KATHNNYXMZNBRG-UHFFFAOYSA-N 0 0 464.477 4.692 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000044846854 526239099 /nfs/dbraw/zinc/23/90/99/526239099.db2.gz BHKFSQNQYQUIFI-OAHLLOKOSA-N 0 0 460.939 4.555 40 0 JJABRN 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CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccccc1 ZINC000019931738 555549228 /nfs/dbraw/zinc/54/92/28/555549228.db2.gz VRALWDACRFWJMP-NFBKMPQASA-N 0 0 470.978 4.564 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c(Cl)c1 ZINC000019931968 555549370 /nfs/dbraw/zinc/54/93/70/555549370.db2.gz UHGKPZRVLUEHRZ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000019933221 555550580 /nfs/dbraw/zinc/55/05/80/555550580.db2.gz LWZZYYCEADMBEO-GOSISDBHSA-N 0 0 468.575 4.612 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019933704 555550932 /nfs/dbraw/zinc/55/09/32/555550932.db2.gz RABJSJWOXLWVTH-QGZVFWFLSA-N 0 0 490.984 4.869 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)c1C ZINC000013647127 555551335 /nfs/dbraw/zinc/55/13/35/555551335.db2.gz FTRMRJGAIZSTQB-UHFFFAOYSA-N 0 0 498.626 4.971 40 0 JJABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000019934606 555551979 /nfs/dbraw/zinc/55/19/79/555551979.db2.gz BFIHUQZAFXGLIC-UHFFFAOYSA-N 0 0 465.527 4.683 40 0 JJABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000019935390 555552596 /nfs/dbraw/zinc/55/25/96/555552596.db2.gz QRFZVMIQUSYSKG-UHFFFAOYSA-N 0 0 499.032 4.732 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2cc(C)cc(C)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935907 555553136 /nfs/dbraw/zinc/55/31/36/555553136.db2.gz XRTBZAPQHIFLGG-DEOSSOPVSA-N 0 0 452.576 4.703 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cccc(Cl)c2C)cc1 ZINC000013648758 555553249 /nfs/dbraw/zinc/55/32/49/555553249.db2.gz OUQMTXSCVWJJCN-UHFFFAOYSA-N 0 0 454.979 4.741 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 ZINC000013649377 555553584 /nfs/dbraw/zinc/55/35/84/555553584.db2.gz HQRZPOKGTNZMAV-MHZLTWQESA-N 0 0 460.599 4.832 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)c(C)c1 ZINC000013648992 555553614 /nfs/dbraw/zinc/55/36/14/555553614.db2.gz DUMKHIMHTJWGFT-UHFFFAOYSA-N 0 0 498.626 4.971 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2cccc(SC)c2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936085 555553691 /nfs/dbraw/zinc/55/36/91/555553691.db2.gz HSKZAXDVFMQVJI-HSZRJFAPSA-N 0 0 470.616 4.808 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 ZINC000013669466 555559400 /nfs/dbraw/zinc/55/94/00/555559400.db2.gz VVZHPXFSNSSWFB-UHFFFAOYSA-N 0 0 494.701 4.978 40 0 JJABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940941 555559466 /nfs/dbraw/zinc/55/94/66/555559466.db2.gz FARFBGPMILNJSH-MHZLTWQESA-N 0 0 497.647 4.548 40 0 JJABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000013670881 555562105 /nfs/dbraw/zinc/56/21/05/555562105.db2.gz FXTBSAHCYXRRJF-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000013671093 555562505 /nfs/dbraw/zinc/56/25/05/555562505.db2.gz NWSLKGWGDHENPD-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C ZINC000013671258 555562902 /nfs/dbraw/zinc/56/29/02/555562902.db2.gz IXSZMMKTCFDOFR-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccccc2)c1 ZINC000019946623 555563458 /nfs/dbraw/zinc/56/34/58/555563458.db2.gz VZZGPSOPKSWRBH-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013672365 555563833 /nfs/dbraw/zinc/56/38/33/555563833.db2.gz UTLZKMFWHDDTPH-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013673914 555565400 /nfs/dbraw/zinc/56/54/00/555565400.db2.gz MIYJXDPXWRUWCA-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN Cc1ccc(CN(c2ccc(C(=O)NCCCc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000013674661 555565969 /nfs/dbraw/zinc/56/59/69/555565969.db2.gz GNCHOISMWLNGEC-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000013675107 555566417 /nfs/dbraw/zinc/56/64/17/555566417.db2.gz SKYOUUWVPQGOTE-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013677120 555567959 /nfs/dbraw/zinc/56/79/59/555567959.db2.gz QLNKNUVTBXPCLK-KRWDZBQOSA-N 0 0 455.407 4.736 40 0 JJABRN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000013677392 555568347 /nfs/dbraw/zinc/56/83/47/555568347.db2.gz RCDKLMBYESXMSB-INIZCTEOSA-N 0 0 471.406 4.573 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013677548 555568650 /nfs/dbraw/zinc/56/86/50/555568650.db2.gz LGUARIIPDWJJQC-KRWDZBQOSA-N 0 0 483.461 4.673 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013680043 555572282 /nfs/dbraw/zinc/57/22/82/555572282.db2.gz UJXBWGQQDSUNHQ-CQSZACIVSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013680068 555572328 /nfs/dbraw/zinc/57/23/28/555572328.db2.gz KCLJVTCZCWJDGL-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680453 555572894 /nfs/dbraw/zinc/57/28/94/555572894.db2.gz BYONEQIAOIXLTA-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C)cc1 ZINC000013680983 555573767 /nfs/dbraw/zinc/57/37/67/555573767.db2.gz FRDLRYDWFATIII-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009973719 555574913 /nfs/dbraw/zinc/57/49/13/555574913.db2.gz WAJFHAIODSGHGN-QGZVFWFLSA-N 0 0 473.392 4.642 40 0 JJABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)Oc2ccccc21 ZINC000013682577 555575924 /nfs/dbraw/zinc/57/59/24/555575924.db2.gz ILJXMKHWSAAXDG-GUMMOOENSA-N 0 0 480.630 4.710 40 0 JJABRN CCOc1ccc(NC(SCc2ccc(Cl)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009974161 555577421 /nfs/dbraw/zinc/57/74/21/555577421.db2.gz ZJOGRMBZEXYHCD-UHFFFAOYSA-N 0 0 494.400 4.999 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974420 555578814 /nfs/dbraw/zinc/57/88/14/555578814.db2.gz WQOMZURJFHQCKQ-ZDUSSCGKSA-N 0 0 491.329 4.507 40 0 JJABRN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974417 555578838 /nfs/dbraw/zinc/57/88/38/555578838.db2.gz DTYYMISNNPFKQQ-CYBMUJFWSA-N 0 0 491.329 4.507 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OC ZINC000013685747 555579249 /nfs/dbraw/zinc/57/92/49/555579249.db2.gz BVLPUTKDHXHDDM-HXUWFJFHSA-N 0 0 476.573 4.699 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687794 555581091 /nfs/dbraw/zinc/58/10/91/555581091.db2.gz NEHIINZMLOFESS-UHFFFAOYSA-N 0 0 450.922 4.644 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl ZINC000020007054 555581570 /nfs/dbraw/zinc/58/15/70/555581570.db2.gz MTERTLSVEUGNSP-LJQANCHMSA-N 0 0 493.412 4.839 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007878 555582519 /nfs/dbraw/zinc/58/25/19/555582519.db2.gz SVNJYLXZZUSCQT-HXUWFJFHSA-N 0 0 467.349 4.661 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000020008721 555583341 /nfs/dbraw/zinc/58/33/41/555583341.db2.gz CUDFOCDCWBKZLY-XMMPIXPASA-N 0 0 466.603 4.655 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000020008877 555583663 /nfs/dbraw/zinc/58/36/63/555583663.db2.gz CVBRDKRCUBHBIX-NRFANRHFSA-N 0 0 492.519 4.551 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C ZINC000020009634 555585178 /nfs/dbraw/zinc/58/51/78/555585178.db2.gz UXTBRZLJDUUJEL-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000020010089 555585934 /nfs/dbraw/zinc/58/59/34/555585934.db2.gz NHMSNIRLXFEJDO-GOSISDBHSA-N 0 0 487.419 4.517 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010529 555586499 /nfs/dbraw/zinc/58/64/99/555586499.db2.gz XBMDLWQDZFZPNV-IBGZPJMESA-N 0 0 460.665 4.918 40 0 JJABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020010752 555586753 /nfs/dbraw/zinc/58/67/53/555586753.db2.gz FIMDWPGFDLKDOS-RUZDIDTESA-N 0 0 483.033 4.767 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020011043 555587023 /nfs/dbraw/zinc/58/70/23/555587023.db2.gz HISGPVNZLYJNAX-KRWDZBQOSA-N 0 0 464.628 4.748 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000020011174 555587305 /nfs/dbraw/zinc/58/73/05/555587305.db2.gz GJSXCTVBVNHWLB-FQEVSTJZSA-N 0 0 498.670 4.528 40 0 JJABRN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000020011649 555587503 /nfs/dbraw/zinc/58/75/03/555587503.db2.gz FIJREXMDJKXDMT-UHFFFAOYSA-N 0 0 495.345 4.557 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020011793 555587884 /nfs/dbraw/zinc/58/78/84/555587884.db2.gz FOPJKYJKTYPTTR-XMMPIXPASA-N 0 0 486.996 4.864 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000020011796 555587892 /nfs/dbraw/zinc/58/78/92/555587892.db2.gz FOPJKYJKTYPTTR-DEOSSOPVSA-N 0 0 486.996 4.864 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccc(F)cc2)cc1 ZINC000020012349 555588689 /nfs/dbraw/zinc/58/86/89/555588689.db2.gz PRPGZETYKQGUTF-RUZDIDTESA-N 0 0 466.578 4.519 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712149 555589373 /nfs/dbraw/zinc/58/93/73/555589373.db2.gz SZIFJGHFKHZZBH-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013338 555589370 /nfs/dbraw/zinc/58/93/70/555589370.db2.gz AAIVMTAFRUUBFX-HSZRJFAPSA-N 0 0 494.657 4.731 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010001588 555590298 /nfs/dbraw/zinc/59/02/98/555590298.db2.gz VMTMPOWPOXHTSF-RCCKNPSSSA-N 0 0 457.482 4.966 40 0 JJABRN CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713020 555590559 /nfs/dbraw/zinc/59/05/59/555590559.db2.gz SKAOIIYSUYEPLH-VWLOTQADSA-N 0 0 450.604 4.769 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000020014480 555590584 /nfs/dbraw/zinc/59/05/84/555590584.db2.gz CMKQPHXZHPRKFW-UHFFFAOYSA-N 0 0 490.984 4.668 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccccc2)cc1Cl ZINC000020014355 555590621 /nfs/dbraw/zinc/59/06/21/555590621.db2.gz WZXIQCMLOOVFSB-DEOSSOPVSA-N 0 0 499.032 4.733 40 0 JJABRN CCN(CC(=O)N[C@H](C)c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014720 555590908 /nfs/dbraw/zinc/59/09/08/555590908.db2.gz IPDRCTFOTWNLCL-GFCCVEGCSA-N 0 0 494.238 4.644 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000010003682 555590922 /nfs/dbraw/zinc/59/09/22/555590922.db2.gz IFKKDWXXRJAXCZ-UHFFFAOYSA-N 0 0 498.366 4.937 40 0 JJABRN CCOc1cc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc(OCC)c1OCC ZINC000010004059 555591180 /nfs/dbraw/zinc/59/11/80/555591180.db2.gz SKKYMYLKRICNII-UHFFFAOYSA-N 0 0 471.579 4.581 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000020015467 555591416 /nfs/dbraw/zinc/59/14/16/555591416.db2.gz UNBAIFZTEVUBOW-SFHVURJKSA-N 0 0 479.042 4.940 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccccc2)cc1C ZINC000020015247 555591469 /nfs/dbraw/zinc/59/14/69/555591469.db2.gz SSWHKFIQHTVQSO-UHFFFAOYSA-N 0 0 470.566 4.671 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccccc2)cc1C ZINC000020015237 555591506 /nfs/dbraw/zinc/59/15/06/555591506.db2.gz GCTZVYLLEWTNSX-UHFFFAOYSA-N 0 0 492.519 4.641 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(O[C@H](C)CC)cc4)c3)nn12 ZINC000010010325 555592463 /nfs/dbraw/zinc/59/24/63/555592463.db2.gz GIERHTIZCOQUEC-CQSZACIVSA-N 0 0 451.552 4.853 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nn12 ZINC000010010336 555592490 /nfs/dbraw/zinc/59/24/90/555592490.db2.gz PNEDAPCYNXVJIL-UHFFFAOYSA-N 0 0 471.970 4.873 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)cc1Cl ZINC000020016672 555592591 /nfs/dbraw/zinc/59/25/91/555592591.db2.gz YCKDYMLSHHKGOO-UHFFFAOYSA-N 0 0 494.894 4.546 40 0 JJABRN CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715651 555593005 /nfs/dbraw/zinc/59/30/05/555593005.db2.gz OJPGCBIYVXAKNP-INIZCTEOSA-N 0 0 452.857 4.681 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716275 555593634 /nfs/dbraw/zinc/59/36/34/555593634.db2.gz JMQVVIWLNNNHER-NRFANRHFSA-N 0 0 469.072 4.551 40 0 JJABRN CC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715940 555593669 /nfs/dbraw/zinc/59/36/69/555593669.db2.gz QZAHQWMYPIRLBH-MRXNPFEDSA-N 0 0 453.750 4.969 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716485 555593944 /nfs/dbraw/zinc/59/39/44/555593944.db2.gz NEMYGBFXQIVKSK-OAQYLSRUSA-N 0 0 487.062 4.690 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000020018440 555594495 /nfs/dbraw/zinc/59/44/95/555594495.db2.gz ZRZYJUXPVOXCRZ-MRXNPFEDSA-N 0 0 497.082 4.739 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000020019865 555595865 /nfs/dbraw/zinc/59/58/65/555595865.db2.gz UOQVWIPXUJLJKB-SFHVURJKSA-N 0 0 470.616 4.774 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 ZINC000020019931 555596229 /nfs/dbraw/zinc/59/62/29/555596229.db2.gz BAYCHHFVDLIWRV-INIZCTEOSA-N 0 0 489.391 4.506 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020187 555596636 /nfs/dbraw/zinc/59/66/36/555596636.db2.gz AWARUKFNGGITFD-QGZVFWFLSA-N 0 0 458.967 4.705 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020020465 555597261 /nfs/dbraw/zinc/59/72/61/555597261.db2.gz KVIGRIYRWRCJKY-KRWDZBQOSA-N 0 0 488.993 4.796 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020020432 555597268 /nfs/dbraw/zinc/59/72/68/555597268.db2.gz MXURRHVLQNQOEP-HSZRJFAPSA-N 0 0 470.978 4.713 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000020020560 555597619 /nfs/dbraw/zinc/59/76/19/555597619.db2.gz UWWJJJSWIWOVJD-LJQANCHMSA-N 0 0 496.654 4.806 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 ZINC000020021686 555599096 /nfs/dbraw/zinc/59/90/96/555599096.db2.gz JJNINOSJRNCMED-SFHVURJKSA-N 0 0 476.664 4.584 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020021954 555599397 /nfs/dbraw/zinc/59/93/97/555599397.db2.gz NGKFYNNWKIZVRI-SFHVURJKSA-N 0 0 485.005 4.656 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OCC)c1OCC ZINC000010042545 555606698 /nfs/dbraw/zinc/60/66/98/555606698.db2.gz OMHNALPQQZSDKX-UHFFFAOYSA-N 0 0 474.513 4.936 40 0 JJABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020035893 555610686 /nfs/dbraw/zinc/61/06/86/555610686.db2.gz DPTWUJCQUNYOKR-JOCHJYFZSA-N 0 0 481.445 4.729 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020038399 555612466 /nfs/dbraw/zinc/61/24/66/555612466.db2.gz PDJXCTBBDMTYKE-MRXNPFEDSA-N 0 0 491.382 4.661 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 ZINC000020039879 555612978 /nfs/dbraw/zinc/61/29/78/555612978.db2.gz DNFCGFAEBOXOQU-QFIPXVFZSA-N 0 0 467.006 4.597 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020039680 555613052 /nfs/dbraw/zinc/61/30/52/555613052.db2.gz VBUWSGUEVVOZCU-UHFFFAOYSA-N 0 0 461.436 4.896 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020045447 555616294 /nfs/dbraw/zinc/61/62/94/555616294.db2.gz SRHZMSYPOKIPEG-UHFFFAOYSA-N 0 0 466.603 4.550 40 0 JJABRN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000010093730 555617275 /nfs/dbraw/zinc/61/72/75/555617275.db2.gz MYBGPHZKYJXMJB-UHFFFAOYSA-N 0 0 451.379 4.553 40 0 JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000020050390 555619657 /nfs/dbraw/zinc/61/96/57/555619657.db2.gz HYGHWEBGNNTBQP-AREMUKBSSA-N 0 0 480.605 4.582 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000010110245 555619909 /nfs/dbraw/zinc/61/99/09/555619909.db2.gz QDCFPQJHVUJZGR-UHFFFAOYSA-N 0 0 468.644 4.661 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013788403 555620145 /nfs/dbraw/zinc/62/01/45/555620145.db2.gz UTTIYVMBGMVKKT-VABKMULXSA-N 0 0 493.357 4.504 40 0 JJABRN Cc1ccc(CCCNC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 ZINC000010110484 555620224 /nfs/dbraw/zinc/62/02/24/555620224.db2.gz ISSUSBKDVARFKO-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110426 555620233 /nfs/dbraw/zinc/62/02/33/555620233.db2.gz XIVHJMDOMRONHN-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010110499 555620245 /nfs/dbraw/zinc/62/02/45/555620245.db2.gz UICIKDRGDHRTIH-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010110500 555620613 /nfs/dbraw/zinc/62/06/13/555620613.db2.gz UPAHKLPDHCAEHS-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110973 555621585 /nfs/dbraw/zinc/62/15/85/555621585.db2.gz OADPJMYOKUMYDY-UHFFFAOYSA-N 0 0 466.603 4.581 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000010112254 555624954 /nfs/dbraw/zinc/62/49/54/555624954.db2.gz OMORMGXGIWQIBK-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1C ZINC000010112287 555625366 /nfs/dbraw/zinc/62/53/66/555625366.db2.gz RYPLBONBTMZKHN-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN O=C1[C@@H]2[C@H](c3cccc(C(F)(F)F)c3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013810713 555626169 /nfs/dbraw/zinc/62/61/69/555626169.db2.gz IQBCKQICGVMOMB-FSSWDIPSSA-N 0 0 452.432 4.752 40 0 JJABRN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000013810950 555626513 /nfs/dbraw/zinc/62/65/13/555626513.db2.gz GFEWWBQMXDPGOC-CIAFKFPVSA-N 0 0 489.963 4.542 40 0 JJABRN CCc1ccc(C(=O)[C@@]2(C)[C@@H]3c4cc(Br)ccc4OC(=O)[C@@]32C(=O)N2CCCCC2)cc1 ZINC000013814085 555629080 /nfs/dbraw/zinc/62/90/80/555629080.db2.gz AVOZMDVRFMJZOA-BYXVTNLJSA-N 0 0 496.401 4.916 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000020080439 555629364 /nfs/dbraw/zinc/62/93/64/555629364.db2.gz RLPSLKFDEBSJPY-RUZDIDTESA-N 0 0 472.593 4.640 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000020080442 555629549 /nfs/dbraw/zinc/62/95/49/555629549.db2.gz RLPSLKFDEBSJPY-VWLOTQADSA-N 0 0 472.593 4.640 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2CC)cc1 ZINC000013842721 555632099 /nfs/dbraw/zinc/63/20/99/555632099.db2.gz PVGKIJHAKHRRMU-UHFFFAOYSA-N 0 0 482.606 4.908 40 0 JJABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000013845267 555633662 /nfs/dbraw/zinc/63/36/62/555633662.db2.gz NFSLJMJYWHAUGW-UHFFFAOYSA-N 0 0 467.378 4.923 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000010128333 555633924 /nfs/dbraw/zinc/63/39/24/555633924.db2.gz ZWYNGCMBAOFIQU-FQEVSTJZSA-N 0 0 463.386 4.830 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010128396 555633939 /nfs/dbraw/zinc/63/39/39/555633939.db2.gz GSHRBNXFUHPVFB-RUZDIDTESA-N 0 0 450.604 4.866 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128773 555634606 /nfs/dbraw/zinc/63/46/06/555634606.db2.gz COZSUOGUASOBRY-QHCPKHFHSA-N 0 0 471.022 4.993 40 0 JJABRN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010146571 555636990 /nfs/dbraw/zinc/63/69/90/555636990.db2.gz TVUFBSLCJKYPCR-OAQYLSRUSA-N 0 0 461.008 4.590 40 0 JJABRN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000010146570 555636997 /nfs/dbraw/zinc/63/69/97/555636997.db2.gz ILJRLPVAOWQHRR-FQEVSTJZSA-N 0 0 479.385 4.530 40 0 JJABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000013871352 555637610 /nfs/dbraw/zinc/63/76/10/555637610.db2.gz GCTUNOBIOPPTKZ-AWEZNQCLSA-N 0 0 460.987 4.910 40 0 JJABRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 ZINC000013871372 555637623 /nfs/dbraw/zinc/63/76/23/555637623.db2.gz FPQYRIMOSPHWEB-AWEZNQCLSA-N 0 0 453.593 4.858 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020105507 555639036 /nfs/dbraw/zinc/63/90/36/555639036.db2.gz WNMUUNQEQDLTAX-INIZCTEOSA-N 0 0 489.852 4.847 40 0 JJABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl)c1ccc(OC)cc1 ZINC000020106079 555639655 /nfs/dbraw/zinc/63/96/55/555639655.db2.gz NESBRBXAXQLIMR-JOCHJYFZSA-N 0 0 465.015 4.650 40 0 JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c2ccccc2)cc1 ZINC000020106810 555640249 /nfs/dbraw/zinc/64/02/49/555640249.db2.gz ZJDWCSLFGAKTLO-AREMUKBSSA-N 0 0 480.605 4.582 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000020107444 555641230 /nfs/dbraw/zinc/64/12/30/555641230.db2.gz BILRCQZOIMITTL-DYESRHJHSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000020107450 555641262 /nfs/dbraw/zinc/64/12/62/555641262.db2.gz BILRCQZOIMITTL-UWJYYQICSA-N 0 0 469.434 4.803 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)cc3)cc2)cc1 ZINC000020107698 555641931 /nfs/dbraw/zinc/64/19/31/555641931.db2.gz ZVDGKXRHZPXMQP-UHFFFAOYSA-N 0 0 472.588 4.626 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020108036 555642563 /nfs/dbraw/zinc/64/25/63/555642563.db2.gz JOKUNUUXHXPJHH-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000020110728 555646880 /nfs/dbraw/zinc/64/68/80/555646880.db2.gz USDHVJWTZGGPEO-UHFFFAOYSA-N 0 0 452.576 4.693 40 0 JJABRN CCc1ccccc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020111457 555648120 /nfs/dbraw/zinc/64/81/20/555648120.db2.gz IJZBSXLTIUWBCM-UHFFFAOYSA-N 0 0 450.604 4.720 40 0 JJABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000020111878 555648995 /nfs/dbraw/zinc/64/89/95/555648995.db2.gz OWTOSWGUQFETLF-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000020112335 555649638 /nfs/dbraw/zinc/64/96/38/555649638.db2.gz PRJUKQFJXAWAAX-IBGZPJMESA-N 0 0 452.576 4.994 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020112513 555649981 /nfs/dbraw/zinc/64/99/81/555649981.db2.gz OKDKZUJHRAFVBE-UHFFFAOYSA-N 0 0 457.939 4.660 40 0 JJABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1I ZINC000020137899 555661347 /nfs/dbraw/zinc/66/13/47/555661347.db2.gz RXXJQEHYTRXHKQ-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN COc1cc(NC(=O)c2cc(I)ccc2Cl)ccc1-c1ccc(CO)o1 ZINC000020138589 555661723 /nfs/dbraw/zinc/66/17/23/555661723.db2.gz OBJABOVWSCLCJI-UHFFFAOYSA-N 0 0 483.689 4.958 40 0 JJABRN C[C@H](Sc1nnc(-c2ccoc2)c(-c2ccoc2)n1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000013992060 555667976 /nfs/dbraw/zinc/66/79/76/555667976.db2.gz QSDHSECRHYGFBQ-HNNXBMFYSA-N 0 0 460.515 4.882 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006999 555668539 /nfs/dbraw/zinc/66/85/39/555668539.db2.gz DLJVASSDYGWXQL-INIZCTEOSA-N 0 0 474.966 4.946 40 0 JJABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000014013196 555670212 /nfs/dbraw/zinc/67/02/12/555670212.db2.gz FFRBWNPTHHIRCY-QHCPKHFHSA-N 0 0 454.548 4.601 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000010276001 555670693 /nfs/dbraw/zinc/67/06/93/555670693.db2.gz YTHOSPWMCYANJD-DLBZAZTESA-N 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CCc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300580 555677533 /nfs/dbraw/zinc/67/75/33/555677533.db2.gz VSMODCILFSCTMI-UHFFFAOYSA-N 0 0 456.539 4.539 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CC)cc1 ZINC000014071312 555679184 /nfs/dbraw/zinc/67/91/84/555679184.db2.gz RBZPXEBWWNRJOL-UHFFFAOYSA-N 0 0 489.395 4.635 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000020168862 555679514 /nfs/dbraw/zinc/67/95/14/555679514.db2.gz XDAOLQMJXBFTED-QFIPXVFZSA-N 0 0 481.524 4.501 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314444 555680115 /nfs/dbraw/zinc/68/01/15/555680115.db2.gz HSVZSZYTLTVARN-UHFFFAOYSA-N 0 0 479.602 4.839 40 0 JJABRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010315060 555681583 /nfs/dbraw/zinc/68/15/83/555681583.db2.gz ZMXMRHPZYRNAKX-UHFFFAOYSA-N 0 0 465.575 4.530 40 0 JJABRN CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2C)cc1 ZINC000020176780 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/nfs/dbraw/zinc/76/64/03/555766403.db2.gz MBJUZWSUMKTMCE-UHFFFAOYSA-N 0 0 470.583 4.955 40 0 JJABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 ZINC000014271581 555766771 /nfs/dbraw/zinc/76/67/71/555766771.db2.gz QIMPSWYCJQCXGS-BLMSOEDDSA-N 0 0 471.648 4.533 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000014273488 555773299 /nfs/dbraw/zinc/77/32/99/555773299.db2.gz MEYOYVVVTGWCJA-UHFFFAOYSA-N 0 0 466.379 4.913 40 0 JJABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)c(Cl)c4)c(C)c3)nn12 ZINC000014273868 555774821 /nfs/dbraw/zinc/77/48/21/555774821.db2.gz LSSYECIGHLIGFD-UHFFFAOYSA-N 0 0 487.010 4.512 40 0 JJABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020331565 555777017 /nfs/dbraw/zinc/77/70/17/555777017.db2.gz LIWTUNCXKADZMI-DEOSSOPVSA-N 0 0 452.576 4.811 40 0 JJABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000014274692 555777537 /nfs/dbraw/zinc/77/75/37/555777537.db2.gz BTRLWINEPRPCTC-UHFFFAOYSA-N 0 0 479.343 4.959 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c(OC)c4)ccc3O)nc2c1 ZINC000014275172 555779817 /nfs/dbraw/zinc/77/98/17/555779817.db2.gz ZTXVOCUMVNBJSU-UHFFFAOYSA-N 0 0 477.542 4.907 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(I)cc1F ZINC000014275922 555782363 /nfs/dbraw/zinc/78/23/63/555782363.db2.gz YMASLPGHGGSEKS-UHFFFAOYSA-N 0 0 499.132 4.873 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1 ZINC000014276028 555782577 /nfs/dbraw/zinc/78/25/77/555782577.db2.gz RRCMHVWGAKKSJQ-UHFFFAOYSA-N 0 0 490.404 4.898 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1OC ZINC000014276164 555783042 /nfs/dbraw/zinc/78/30/42/555783042.db2.gz WJJPSYRTCOBPLF-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN O=C(Cc1ccccc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000014277088 555785129 /nfs/dbraw/zinc/78/51/29/555785129.db2.gz SIYVDAVCXKTXLM-UHFFFAOYSA-N 0 0 479.049 4.718 40 0 JJABRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1 ZINC000014277306 555785764 /nfs/dbraw/zinc/78/57/64/555785764.db2.gz CCDOHRAYIYEGHC-CQSZACIVSA-N 0 0 479.387 4.797 40 0 JJABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(I)cc3)C2=O)c(C)c1 ZINC000020357015 555787536 /nfs/dbraw/zinc/78/75/36/555787536.db2.gz KWWHQMPFWSLAJH-YVLHZVERSA-N 0 0 492.338 4.583 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(I)cn1 ZINC000014278109 555787708 /nfs/dbraw/zinc/78/77/08/555787708.db2.gz GOEWIKRRQJYPEO-UHFFFAOYSA-N 0 0 483.103 4.863 40 0 JJABRN O=C(Nc1nc2ccc(NC(=O)c3ccc(I)cc3)cc2s1)c1ccco1 ZINC000020411001 555788126 /nfs/dbraw/zinc/78/81/26/555788126.db2.gz PNYXIFNTMOZTQG-UHFFFAOYSA-N 0 0 489.294 4.999 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000011582453 555788575 /nfs/dbraw/zinc/78/85/75/555788575.db2.gz NCVJUURNGMHNGL-HJOGWXRNSA-N 0 0 460.555 4.858 40 0 JJABRN CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccccc3Br)sc2c1 ZINC000020411868 555789525 /nfs/dbraw/zinc/78/95/25/555789525.db2.gz UEAIUCNBSNGGTJ-UHFFFAOYSA-N 0 0 478.393 4.751 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4OC)ccc3o2)cc1OC ZINC000020412067 555789888 /nfs/dbraw/zinc/78/98/88/555789888.db2.gz DWMJLUYQTFXMGI-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000020412525 555790471 /nfs/dbraw/zinc/79/04/71/555790471.db2.gz KZJBVEIVJGDOPI-UHFFFAOYSA-N 0 0 464.393 4.949 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1Br ZINC000014279131 555790506 /nfs/dbraw/zinc/79/05/06/555790506.db2.gz FBXZULXZPAAUJP-UHFFFAOYSA-N 0 0 494.389 4.672 40 0 JJABRN COc1c(Br)cc(Br)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000014279120 555790549 /nfs/dbraw/zinc/79/05/49/555790549.db2.gz OIELUNHCKLEFCY-UHFFFAOYSA-N 0 0 488.201 4.512 40 0 JJABRN CC(=O)N1CCN(c2ccccc2NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)CC1 ZINC000014279330 555791052 /nfs/dbraw/zinc/79/10/52/555791052.db2.gz AVNYQFFRAXCVQC-UHFFFAOYSA-N 0 0 484.811 4.950 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1 ZINC000014279333 555791056 /nfs/dbraw/zinc/79/10/56/555791056.db2.gz LZAOMXNIWNPMSV-UHFFFAOYSA-N 0 0 481.552 4.771 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1OC ZINC000014279403 555791069 /nfs/dbraw/zinc/79/10/69/555791069.db2.gz TZPOAEJZAFNQQD-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1Br ZINC000014291149 555792483 /nfs/dbraw/zinc/79/24/83/555792483.db2.gz SYSQQDFJDARKCL-UHFFFAOYSA-N 0 0 494.817 4.668 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291220 555792869 /nfs/dbraw/zinc/79/28/69/555792869.db2.gz MNNQCIPHYBMBHZ-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c1 ZINC000020528670 555792970 /nfs/dbraw/zinc/79/29/70/555792970.db2.gz YOKLDGFKOVPLOA-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)CC2)cc1 ZINC000020528890 555793586 /nfs/dbraw/zinc/79/35/86/555793586.db2.gz NTWMHDNSSOYFCN-UHFFFAOYSA-N 0 0 471.601 4.846 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4cccc(C)c4C)cc3)CC2)cc1 ZINC000020529011 555793664 /nfs/dbraw/zinc/79/36/64/555793664.db2.gz LZZLFPFRIAZPMM-UHFFFAOYSA-N 0 0 471.601 4.846 40 0 JJABRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4C)cc3)CC2)cc1 ZINC000020528963 555793787 /nfs/dbraw/zinc/79/37/87/555793787.db2.gz BLRHVSHITRQEAD-UHFFFAOYSA-N 0 0 457.574 4.537 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000014374992 555800990 /nfs/dbraw/zinc/80/09/90/555800990.db2.gz KIWVPHYRRULZRP-UHFFFAOYSA-N 0 0 487.803 4.538 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccc(Cl)cc1 ZINC000014388164 555801241 /nfs/dbraw/zinc/80/12/41/555801241.db2.gz NEIXIJZXMVMJRT-QGZVFWFLSA-N 0 0 456.995 4.771 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000014397354 555803332 /nfs/dbraw/zinc/80/33/32/555803332.db2.gz GHGCZLVJJQNJBL-UHFFFAOYSA-N 0 0 454.548 4.602 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000014410843 555809743 /nfs/dbraw/zinc/80/97/43/555809743.db2.gz RQHUOVYTDMSXTL-NCELDCMTSA-N 0 0 464.587 4.905 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000014410802 555809801 /nfs/dbraw/zinc/80/98/01/555809801.db2.gz KNZDTCXDYXBLQC-UHFFFAOYSA-N 0 0 493.629 4.586 40 0 JJABRN O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014411560 555810579 /nfs/dbraw/zinc/81/05/79/555810579.db2.gz MLALHRSDQDZWEX-UHFFFAOYSA-N 0 0 453.029 4.777 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1Cl ZINC000014411738 555810926 /nfs/dbraw/zinc/81/09/26/555810926.db2.gz BHOPBTMJUIXIJP-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2cccc(Cl)c2)cc1 ZINC000014413119 555812293 /nfs/dbraw/zinc/81/22/93/555812293.db2.gz IKOQEZUVBOLRDX-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2Cl)cc1 ZINC000014413278 555812610 /nfs/dbraw/zinc/81/26/10/555812610.db2.gz SZNGGWLJDLMETL-UHFFFAOYSA-N 0 0 450.894 4.761 40 0 JJABRN CCCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414676 555813531 /nfs/dbraw/zinc/81/35/31/555813531.db2.gz WNRQWUILUCFNGF-UHFFFAOYSA-N 0 0 451.032 4.763 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccc(Cl)cc2)c(C)c1 ZINC000014414679 555813575 /nfs/dbraw/zinc/81/35/75/555813575.db2.gz UWVGMGZYHLLWQP-UHFFFAOYSA-N 0 0 451.032 4.618 40 0 JJABRN CCN(CC)C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000014414888 555813921 /nfs/dbraw/zinc/81/39/21/555813921.db2.gz DRUZYZABLOAVAP-UHFFFAOYSA-N 0 0 471.450 4.978 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000014491855 555815185 /nfs/dbraw/zinc/81/51/85/555815185.db2.gz CPZPIFWMJNLASN-UHFFFAOYSA-N 0 0 465.575 4.602 40 0 JJABRN Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc2)cc1 ZINC000014576920 555835368 /nfs/dbraw/zinc/83/53/68/555835368.db2.gz SXSNRLNLDCRTOJ-SANMLTNESA-N 0 0 462.615 4.610 40 0 JJABRN COc1ccccc1C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C ZINC000014607307 555836127 /nfs/dbraw/zinc/83/61/27/555836127.db2.gz BMXVYGKAWXDPKU-JPYJTQIMSA-N 0 0 450.560 4.642 40 0 JJABRN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccccc1 ZINC000011866958 555843053 /nfs/dbraw/zinc/84/30/53/555843053.db2.gz VEJWQAPWOXRRCB-PUFWETDBSA-N 0 0 487.596 4.946 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1 ZINC000021577676 555851552 /nfs/dbraw/zinc/85/15/52/555851552.db2.gz PBAANEYFCOYQCB-UHFFFAOYSA-N 0 0 483.568 4.975 40 0 JJABRN COc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1 ZINC000021579732 555852189 /nfs/dbraw/zinc/85/21/89/555852189.db2.gz DPSKCSCERMYOCO-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c(OC)c1 ZINC000021595609 555853337 /nfs/dbraw/zinc/85/33/37/555853337.db2.gz JMQAQDDXXIERBL-UHFFFAOYSA-N 0 0 483.933 4.998 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)c3)nn12 ZINC000021595750 555853900 /nfs/dbraw/zinc/85/39/00/555853900.db2.gz BLXVDUVGLJOQJU-UHFFFAOYSA-N 0 0 472.368 4.720 40 0 JJABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3c(C)cccc3C)CC2=O)cc1 ZINC000015014174 555855462 /nfs/dbraw/zinc/85/54/62/555855462.db2.gz XYSOXXLROIXGSO-FQEVSTJZSA-N 0 0 471.557 4.946 40 0 JJABRN CCOc1c(Br)cc(Br)cc1CNn1c(=S)[nH]nc1-c1ccncc1 ZINC000022111273 555878668 /nfs/dbraw/zinc/87/86/68/555878668.db2.gz NSXQIYIAUJAFGC-UHFFFAOYSA-N 0 0 485.205 4.670 40 0 JJABRN CCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000022111630 555878943 /nfs/dbraw/zinc/87/89/43/555878943.db2.gz NKTYNWWKZVEKCD-UHFFFAOYSA-N 0 0 466.767 4.699 40 0 JJABRN Cc1ccc(C2=N/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)O2)cc1Cl ZINC000015229324 555888685 /nfs/dbraw/zinc/88/86/85/555888685.db2.gz AUWCEPYWUSDKHA-BKUYFWCQSA-N 0 0 453.903 4.761 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022231098 555889347 /nfs/dbraw/zinc/88/93/47/555889347.db2.gz WDHXLXHFSVJMNJ-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000022231637 555890297 /nfs/dbraw/zinc/89/02/97/555890297.db2.gz RINKWVOHFMCNIF-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231622 555890300 /nfs/dbraw/zinc/89/03/00/555890300.db2.gz AFPJVCRZJWLWSF-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000022232100 555891435 /nfs/dbraw/zinc/89/14/35/555891435.db2.gz IGQOSXVYBWDIMY-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232221 555891590 /nfs/dbraw/zinc/89/15/90/555891590.db2.gz YSWLOLXPURNDNY-UHFFFAOYSA-N 0 0 488.993 4.641 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233500 555893582 /nfs/dbraw/zinc/89/35/82/555893582.db2.gz MAFULUGGCZBTNX-UHFFFAOYSA-N 0 0 470.566 4.680 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233759 555894184 /nfs/dbraw/zinc/89/41/84/555894184.db2.gz XTTPSYAZVYCEHA-UHFFFAOYSA-N 0 0 484.593 4.934 40 0 JJABRN CCn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000022235003 555894204 /nfs/dbraw/zinc/89/42/04/555894204.db2.gz QLFLGFACSAKXOD-UHFFFAOYSA-N 0 0 463.887 4.656 40 0 JJABRN O=C(Nc1ccc(F)cc1)c1cc(=O)n(CCc2ccccc2)/c(=N/CCc2ccccc2)s1 ZINC000015307571 555895731 /nfs/dbraw/zinc/89/57/31/555895731.db2.gz KTVNEEAVHCWGEE-OHYPFYFLSA-N 0 0 473.573 4.687 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000022247881 555898091 /nfs/dbraw/zinc/89/80/91/555898091.db2.gz QJYCSBVDONMJMX-HOYKHHGWSA-N 0 0 487.021 4.506 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 ZINC000022247954 555898406 /nfs/dbraw/zinc/89/84/06/555898406.db2.gz OIDCLGIGSAVWIP-UQBPGWFLSA-N 0 0 498.670 4.574 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000022249155 555899565 /nfs/dbraw/zinc/89/95/65/555899565.db2.gz OJMLZCIFOOJMSF-UHFFFAOYSA-N 0 0 482.883 4.546 40 0 JJABRN CCc1cccc(C)c1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253376 555901469 /nfs/dbraw/zinc/90/14/69/555901469.db2.gz NLDLRGNGVQMZCL-UHFFFAOYSA-N 0 0 482.602 4.793 40 0 JJABRN COc1cc(C(=O)NC2CCCCCCC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254702 555903185 /nfs/dbraw/zinc/90/31/85/555903185.db2.gz KILCOLPJTBCXGI-UHFFFAOYSA-N 0 0 492.613 4.652 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000022256635 555904671 /nfs/dbraw/zinc/90/46/71/555904671.db2.gz SSWSGALZROTXHP-UHFFFAOYSA-N 0 0 456.351 4.651 40 0 JJABRN COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 ZINC000022256711 555904679 /nfs/dbraw/zinc/90/46/79/555904679.db2.gz UMSPRTQSLWJJQH-UHFFFAOYSA-N 0 0 491.997 4.931 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1C ZINC000022268279 555906970 /nfs/dbraw/zinc/90/69/70/555906970.db2.gz RGKCNQMJPQGKNY-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2C)cc1C ZINC000022268357 555907295 /nfs/dbraw/zinc/90/72/95/555907295.db2.gz GAQWIVRIMCGGPD-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C)cc1Cl ZINC000022269436 555908077 /nfs/dbraw/zinc/90/80/77/555908077.db2.gz LWQVECVPVHGHPB-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2CC)cc1Cl ZINC000022269497 555908322 /nfs/dbraw/zinc/90/83/22/555908322.db2.gz RFEGBHKFFDANCD-QHCPKHFHSA-N 0 0 487.021 4.829 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 ZINC000015439253 555909211 /nfs/dbraw/zinc/90/92/11/555909211.db2.gz YZPZZAOOTYZJOZ-UHFFFAOYSA-N 0 0 456.589 4.925 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000022274487 555911292 /nfs/dbraw/zinc/91/12/92/555911292.db2.gz VDGKRWSCELATLL-UHFFFAOYSA-N 0 0 468.575 4.661 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000022274781 555911650 /nfs/dbraw/zinc/91/16/50/555911650.db2.gz FEEQKIOYEJVYJH-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275548 555912386 /nfs/dbraw/zinc/91/23/86/555912386.db2.gz LXJLMDXERGKULK-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276000 555913049 /nfs/dbraw/zinc/91/30/49/555913049.db2.gz LOQGSFMXJKJQQI-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275795 555913130 /nfs/dbraw/zinc/91/31/30/555913130.db2.gz ZIIOBRTYWMPVBF-UHFFFAOYSA-N 0 0 480.586 4.739 40 0 JJABRN Cc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276260 555913340 /nfs/dbraw/zinc/91/33/40/555913340.db2.gz QUDYDGHGVKJSRS-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276144 555913343 /nfs/dbraw/zinc/91/33/43/555913343.db2.gz FBFPPMMEPVZJFR-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(Br)cc2)cc1 ZINC000022276388 555913680 /nfs/dbraw/zinc/91/36/80/555913680.db2.gz KMXLIMFCDANUNO-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CC(C)c1ccc(O[C@H](C)C(=O)N[C@@H](C)CNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000012137068 555914167 /nfs/dbraw/zinc/91/41/67/555914167.db2.gz XJTKVCLBNOLLMT-PCCBWWKXSA-N 0 0 454.611 4.789 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278161 555916057 /nfs/dbraw/zinc/91/60/57/555916057.db2.gz CORGUNBGPKBNQR-UHFFFAOYSA-N 0 0 474.932 4.921 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022309719 555919656 /nfs/dbraw/zinc/91/96/56/555919656.db2.gz ARXYVFSGDXMVSB-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022309722 555920054 /nfs/dbraw/zinc/92/00/54/555920054.db2.gz ARXYVFSGDXMVSB-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015624410 555920462 /nfs/dbraw/zinc/92/04/62/555920462.db2.gz DWEDGNJMBNYXPS-UHFFFAOYSA-N 0 0 462.493 4.898 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022339169 555923188 /nfs/dbraw/zinc/92/31/88/555923188.db2.gz PYSCUOLESSKYPW-DEOSSOPVSA-N 0 0 468.575 4.521 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022339164 555923230 /nfs/dbraw/zinc/92/32/30/555923230.db2.gz PYSCUOLESSKYPW-XMMPIXPASA-N 0 0 468.575 4.521 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)c2ccc(C)cc2)cc1 ZINC000022344997 555923520 /nfs/dbraw/zinc/92/35/20/555923520.db2.gz FBAOYEVWRHACCE-SANMLTNESA-N 0 0 496.629 4.865 40 0 JJABRN CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022347165 555923847 /nfs/dbraw/zinc/92/38/47/555923847.db2.gz KZFLPANRPWNNFJ-VWLOTQADSA-N 0 0 466.603 4.720 40 0 JJABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022362515 555925951 /nfs/dbraw/zinc/92/59/51/555925951.db2.gz CZLQZNLLXIDAKN-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022369385 555926577 /nfs/dbraw/zinc/92/65/77/555926577.db2.gz AACQSRTVTFPUJE-FQEVSTJZSA-N 0 0 484.593 4.914 40 0 JJABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Br)c2)c(C)c1 ZINC000022529336 555931277 /nfs/dbraw/zinc/93/12/77/555931277.db2.gz KYGWJAPBUBEZJR-UHFFFAOYSA-N 0 0 450.402 4.739 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2ccccc21 ZINC000022532052 555932108 /nfs/dbraw/zinc/93/21/08/555932108.db2.gz VVLNYLHGRSUGLT-UHFFFAOYSA-N 0 0 451.507 4.767 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000022535840 555933307 /nfs/dbraw/zinc/93/33/07/555933307.db2.gz XXDULSIQCBXSCO-UHFFFAOYSA-N 0 0 453.951 4.633 40 0 JJABRN Cc1cc(Br)cc(Br)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022563778 555934900 /nfs/dbraw/zinc/93/49/00/555934900.db2.gz AJWMSSQSZKRFNP-UHFFFAOYSA-N 0 0 457.206 4.984 40 0 JJABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 ZINC000022564024 555935343 /nfs/dbraw/zinc/93/53/43/555935343.db2.gz CPSRWWTWLVCRRY-UHFFFAOYSA-N 0 0 457.397 4.517 40 0 JJABRN COc1cc(CN(C(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)ccc1OCC(N)=O ZINC000022575154 555938689 /nfs/dbraw/zinc/93/86/89/555938689.db2.gz YSDOUUZOFXGGEV-UHFFFAOYSA-N 0 0 465.377 4.841 40 0 JJABRN CC1=C(C(=O)N2CCN(c3ccccc3)CC2)[C@H](c2ccc(F)cc2)n2c3ccccc3nc2N1 ZINC000022579341 555939255 /nfs/dbraw/zinc/93/92/55/555939255.db2.gz UKQXEHGLXKOCAP-SANMLTNESA-N 0 0 467.548 4.813 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(F)c4)cc3n2)cc1 ZINC000022712833 555946553 /nfs/dbraw/zinc/94/65/53/555946553.db2.gz LGIQWQDJPBBOGY-UHFFFAOYSA-N 0 0 476.581 4.841 40 0 JJABRN CCSc1ccccc1C(=O)Nc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3 ZINC000022713057 555946572 /nfs/dbraw/zinc/94/65/72/555946572.db2.gz UCRDEKRDHOXBPU-UHFFFAOYSA-N 0 0 476.627 4.907 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022713863 555946839 /nfs/dbraw/zinc/94/68/39/555946839.db2.gz IMLRTIVJPVTAOW-UHFFFAOYSA-N 0 0 477.586 4.769 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl ZINC000022716648 555947736 /nfs/dbraw/zinc/94/77/36/555947736.db2.gz YZPGHPDSAPALBM-UHFFFAOYSA-N 0 0 479.945 4.666 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000022744846 555950524 /nfs/dbraw/zinc/95/05/24/555950524.db2.gz FWIGBMFOZYEAMR-UHFFFAOYSA-N 0 0 487.006 4.950 40 0 JJABRN O=C(c1ccc(C2CCCCC2)cc1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000022861970 555962473 /nfs/dbraw/zinc/96/24/73/555962473.db2.gz QRVZEWYSECPOLM-IZLXSDGUSA-N 0 0 462.634 4.691 40 0 JJABRN c1ccc(C(c2ccccc2)N2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccn3)CC2)cc1 ZINC000022921153 555975206 /nfs/dbraw/zinc/97/52/06/555975206.db2.gz SIWYSFHQVUAXRH-MUUNZHRXSA-N 0 0 479.632 4.680 40 0 JJABRN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 ZINC000022925054 555977450 /nfs/dbraw/zinc/97/74/50/555977450.db2.gz ZJBSGWWCDXYIKK-UHFFFAOYSA-N 0 0 473.642 4.614 40 0 JJABRN CCCCOc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023436161 556058239 /nfs/dbraw/zinc/05/82/39/556058239.db2.gz CJDZMXYDKUBRON-UHFFFAOYSA-N 0 0 464.631 4.961 40 0 JJABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1c(F)cccc1F ZINC000023657931 556082309 /nfs/dbraw/zinc/08/23/09/556082309.db2.gz SHPZTIWKNDZVEO-UHFFFAOYSA-N 0 0 468.884 4.587 40 0 JJABRN O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(Br)cc1 ZINC000012676571 556101625 /nfs/dbraw/zinc/10/16/25/556101625.db2.gz JEXFBTGUOWVGQQ-UHFFFAOYSA-N 0 0 454.733 4.795 40 0 JJABRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000016025517 556116402 /nfs/dbraw/zinc/11/64/02/556116402.db2.gz PVFQWJZVCWUUPY-UHFFFAOYSA-N 0 0 469.006 4.967 40 0 JJABRN O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000016040239 556121552 /nfs/dbraw/zinc/12/15/52/556121552.db2.gz VYUUKHXHVFEMGC-QWHCGFSZSA-N 0 0 491.416 4.987 40 0 JJABRN CCOC(=O)N1CCN(C(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1 ZINC000016212384 556128877 /nfs/dbraw/zinc/12/88/77/556128877.db2.gz QJRHJHOXIRULPU-UHFFFAOYSA-N 0 0 477.546 4.621 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)sc2c1 ZINC000016321457 556135148 /nfs/dbraw/zinc/13/51/48/556135148.db2.gz QTCSSBYRESQKHJ-UHFFFAOYSA-N 0 0 483.800 4.797 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(I)cc1 ZINC000016400927 556138103 /nfs/dbraw/zinc/13/81/03/556138103.db2.gz BJCYFATYUDCHCI-UHFFFAOYSA-N 0 0 473.748 4.681 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013024378 556214236 /nfs/dbraw/zinc/21/42/36/556214236.db2.gz XJUJNGVPRLFGHY-HHHXNRCGSA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013024539 556214523 /nfs/dbraw/zinc/21/45/23/556214523.db2.gz MVFUMXHMZWIICH-MHZLTWQESA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 ZINC000013024839 556214823 /nfs/dbraw/zinc/21/48/23/556214823.db2.gz RXPYRTSCYOEMKZ-AREMUKBSSA-N 0 0 487.579 4.645 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013024853 556214847 /nfs/dbraw/zinc/21/48/47/556214847.db2.gz CKXSIYUILMYDJC-MHZLTWQESA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000013024690 556214865 /nfs/dbraw/zinc/21/48/65/556214865.db2.gz AEFFDPXPJAWSLN-XMMPIXPASA-N 0 0 493.608 4.707 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013024851 556214873 /nfs/dbraw/zinc/21/48/73/556214873.db2.gz JZXRRIRUJVTAPX-HHHXNRCGSA-N 0 0 499.615 4.515 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cccc(Br)c2)C1=O ZINC000017083388 556215117 /nfs/dbraw/zinc/21/51/17/556215117.db2.gz ALFOOZNEBGYLDY-HXUWFJFHSA-N 0 0 481.184 4.819 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1 ZINC000013024893 556215139 /nfs/dbraw/zinc/21/51/39/556215139.db2.gz RYXNMYSZWRWYGO-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013024859 556215143 /nfs/dbraw/zinc/21/51/43/556215143.db2.gz XJSYQBTWJAXVBI-HHHXNRCGSA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013024855 556215160 /nfs/dbraw/zinc/21/51/60/556215160.db2.gz CKXSIYUILMYDJC-HHHXNRCGSA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024861 556215181 /nfs/dbraw/zinc/21/51/81/556215181.db2.gz LCEBCNNVRPPXAZ-VWLOTQADSA-N 0 0 473.552 4.650 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(OC)c1 ZINC000013024901 556215206 /nfs/dbraw/zinc/21/52/06/556215206.db2.gz CUBOTFNYYXEJBW-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013025591 556216309 /nfs/dbraw/zinc/21/63/09/556216309.db2.gz DHXBMCVAHUHFNW-NRFANRHFSA-N 0 0 452.532 4.575 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013025866 556216969 /nfs/dbraw/zinc/21/69/69/556216969.db2.gz HJVJKULLMXNXRM-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1OC ZINC000013025998 556217526 /nfs/dbraw/zinc/21/75/26/556217526.db2.gz ZGKXMHUUABOIBW-RUZDIDTESA-N 0 0 490.556 4.946 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1OC ZINC000013026304 556218217 /nfs/dbraw/zinc/21/82/17/556218217.db2.gz UEEQOTUHNIKJCK-VWLOTQADSA-N 0 0 480.536 4.878 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)cc1 ZINC000013026508 556218634 /nfs/dbraw/zinc/21/86/34/556218634.db2.gz KPRIASWNTAJFTE-VWLOTQADSA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)cc1 ZINC000013026595 556218992 /nfs/dbraw/zinc/21/89/92/556218992.db2.gz FQCZMNDDDPBQTH-VWLOTQADSA-N 0 0 476.529 4.506 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000013029002 556223374 /nfs/dbraw/zinc/22/33/74/556223374.db2.gz ABZVRRONQZEIGK-MHZLTWQESA-N 0 0 499.615 4.692 40 0 JJABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013029565 556223883 /nfs/dbraw/zinc/22/38/83/556223883.db2.gz VPFFMSKIEVDISN-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030108 556224732 /nfs/dbraw/zinc/22/47/32/556224732.db2.gz OXBSQAKXCHLMTF-SANMLTNESA-N 0 0 489.526 4.543 40 0 JJABRN O=C(Cn1nnc2ccccc21)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030101 556224832 /nfs/dbraw/zinc/22/48/32/556224832.db2.gz QOSAFDNGOWZZBW-SANMLTNESA-N 0 0 489.526 4.543 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013030934 556226322 /nfs/dbraw/zinc/22/63/22/556226322.db2.gz COOZACQNPMVVOP-MUUNZHRXSA-N 0 0 498.631 4.887 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013031367 556227689 /nfs/dbraw/zinc/22/76/89/556227689.db2.gz MZEHFKPJWSTWEI-DEOSSOPVSA-N 0 0 479.968 4.615 40 0 JJABRN Cc1cccc(C)c1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccco1 ZINC000013031493 556228057 /nfs/dbraw/zinc/22/80/57/556228057.db2.gz UMJNSMDLAJWUAB-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2)o1 ZINC000013031581 556228312 /nfs/dbraw/zinc/22/83/12/556228312.db2.gz RMUNDWLXVFBURQ-AREMUKBSSA-N 0 0 473.577 4.578 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)o1 ZINC000013031589 556228589 /nfs/dbraw/zinc/22/85/89/556228589.db2.gz DQRHCWJLHXPEJJ-MHZLTWQESA-N 0 0 487.604 4.886 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013031677 556228922 /nfs/dbraw/zinc/22/89/22/556228922.db2.gz AZGZZZACWXAHJD-DEOSSOPVSA-N 0 0 479.581 4.569 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013032365 556230859 /nfs/dbraw/zinc/23/08/59/556230859.db2.gz JVFFHICRKQUVHY-HHHXNRCGSA-N 0 0 499.615 4.833 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(C)c1 ZINC000013032374 556231183 /nfs/dbraw/zinc/23/11/83/556231183.db2.gz GVQYYGMIEJZIJM-HHHXNRCGSA-N 0 0 499.615 4.833 40 0 JJABRN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000025868303 556237664 /nfs/dbraw/zinc/23/76/64/556237664.db2.gz JEELQQBXOTXEOY-UHFFFAOYSA-N 0 0 466.173 4.703 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 ZINC000026115967 556246009 /nfs/dbraw/zinc/24/60/09/556246009.db2.gz HEMWBIALNVLLBM-UHFFFAOYSA-N 0 0 499.123 4.900 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118246 556247636 /nfs/dbraw/zinc/24/76/36/556247636.db2.gz PFIWABVXINEQDV-UHFFFAOYSA-N 0 0 483.453 4.844 40 0 JJABRN CSc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026118793 556247942 /nfs/dbraw/zinc/24/79/42/556247942.db2.gz XEYUXAKCBNKIGS-UHFFFAOYSA-N 0 0 450.651 4.803 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCC(C)CC1 ZINC000026118818 556247955 /nfs/dbraw/zinc/24/79/55/556247955.db2.gz HKYOQRWENUBKNT-UHFFFAOYSA-N 0 0 456.992 4.874 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)N1CCCCCC1 ZINC000026119752 556248478 /nfs/dbraw/zinc/24/84/78/556248478.db2.gz LEBIFYBYDIBDFE-UHFFFAOYSA-N 0 0 483.453 4.988 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064050 556261400 /nfs/dbraw/zinc/26/14/00/556261400.db2.gz PWGDAPQOCRIFNF-SANMLTNESA-N 0 0 486.620 4.834 40 0 JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064072 556261536 /nfs/dbraw/zinc/26/15/36/556261536.db2.gz VFEAVQPFTJIGQK-XMMPIXPASA-N 0 0 464.614 4.924 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064352 556261806 /nfs/dbraw/zinc/26/18/06/556261806.db2.gz JJKPKSHGIFMUDW-SANMLTNESA-N 0 0 486.620 4.662 40 0 JJABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccccc1 ZINC000017835625 556268012 /nfs/dbraw/zinc/26/80/12/556268012.db2.gz AFNZTVBMNIRERZ-VSKRKVRLSA-N 0 0 468.431 4.632 40 0 JJABRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)C(C)C)cc1 ZINC000027117309 556274034 /nfs/dbraw/zinc/27/40/34/556274034.db2.gz OGCSWHCGPHRQEN-OAQYLSRUSA-N 0 0 465.623 4.598 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@@H](c4ccccc4)CC[C@@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000017988700 556274339 /nfs/dbraw/zinc/27/43/39/556274339.db2.gz JJTIUHAMEHYLBL-GVXSCFBNSA-N 0 0 485.511 4.939 40 0 JJABRN COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)cc2)cc1 ZINC000017988704 556274370 /nfs/dbraw/zinc/27/43/70/556274370.db2.gz SPTCEMVTNMUJIN-RZFJZAQRSA-N 0 0 497.547 4.808 40 0 JJABRN COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](c5ccccc5)C[C@@H]4C3=O)cc2)c1 ZINC000017988721 556274402 /nfs/dbraw/zinc/27/44/02/556274402.db2.gz ZKGNOPUNUTYQPB-NYMACZPPSA-N 0 0 497.547 4.808 40 0 JJABRN CC(C)(C)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CCCCC4)C2)[nH]c3=O)cc1 ZINC000013083446 556279972 /nfs/dbraw/zinc/27/99/72/556279972.db2.gz AGWCOHDXHWZCHY-HXUWFJFHSA-N 0 0 476.625 4.559 40 0 JJABRN O=C(CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12)c1ccc2c(c1)OCCO2 ZINC000013084052 556281468 /nfs/dbraw/zinc/28/14/68/556281468.db2.gz YIOMIXWFYXRIAQ-UHFFFAOYSA-N 0 0 474.517 4.618 40 0 JJABRN Cc1ccc(Cn2c3ccccc3n3c(SCC(=O)N4CCc5ccccc54)nnc23)cc1 ZINC000013084123 556281768 /nfs/dbraw/zinc/28/17/68/556281768.db2.gz IYUOHJWFGBWXTR-UHFFFAOYSA-N 0 0 453.571 4.722 40 0 JJABRN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)/N=c1\sccn1Cc1ccc(Cl)cc1Cl ZINC000013096931 556292378 /nfs/dbraw/zinc/29/23/78/556292378.db2.gz XHKTYBKSKQSYJV-NMWGTECJSA-N 0 0 489.833 4.849 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000018141846 556293300 /nfs/dbraw/zinc/29/33/00/556293300.db2.gz UCAUEEWOGIPRCQ-GSDHBNRESA-N 0 0 488.540 4.544 40 0 JJABRN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2-n2cccc2)c1 ZINC000027753737 556306090 /nfs/dbraw/zinc/30/60/90/556306090.db2.gz OVRADVKVQCJCQZ-UHFFFAOYSA-N 0 0 489.479 4.696 40 0 JJABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc3ccccc3nc2Cl)C(=O)N1Cc1ccccc1 ZINC000018207193 556310148 /nfs/dbraw/zinc/31/01/48/556310148.db2.gz BUDLDBOWZFYTJE-SMIHKQSGSA-N 0 0 469.928 4.935 40 0 JJABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(C)cc(-c2ccccc2)n1 ZINC000028031148 556312707 /nfs/dbraw/zinc/31/27/07/556312707.db2.gz XMDLDMIAUJCSMX-UHFFFAOYSA-N 0 0 469.588 4.932 40 0 JJABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000028207552 556317853 /nfs/dbraw/zinc/31/78/53/556317853.db2.gz MVBVIGRRVRSZTI-UHFFFAOYSA-N 0 0 474.966 4.709 40 0 JJABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000028207048 556317869 /nfs/dbraw/zinc/31/78/69/556317869.db2.gz OEBRBGGAUYSEPE-OAQYLSRUSA-N 0 0 474.626 4.921 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000028208178 556318549 /nfs/dbraw/zinc/31/85/49/556318549.db2.gz SPNSJKUZVGQYSJ-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000028208523 556318904 /nfs/dbraw/zinc/31/89/04/556318904.db2.gz UUILMMFBSRTYOV-UHFFFAOYSA-N 0 0 462.615 4.633 40 0 JJABRN O=C(COC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(OC(F)F)cc1 ZINC000018284529 556318953 /nfs/dbraw/zinc/31/89/53/556318953.db2.gz GESXWNZNBLRBKG-ZXPDZVFASA-N 0 0 472.326 4.894 40 0 JJABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cc(F)ccc2F)C1)Nc1cc(F)ccc1F ZINC000019075172 556327510 /nfs/dbraw/zinc/32/75/10/556327510.db2.gz PEVBNGHHAQITFR-KBPBESRZSA-N 0 0 452.452 4.993 40 0 JJABRN COc1ccc([C@H]2C3SC(=S)N=C3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1OC ZINC000028294885 556329802 /nfs/dbraw/zinc/32/98/02/556329802.db2.gz UUWIJCAKRPTJOW-AOIWGVFYSA-N 0 0 484.624 4.553 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2C)cc1 ZINC000028493342 556334627 /nfs/dbraw/zinc/33/46/27/556334627.db2.gz BNLBHEOSVUJELM-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000028534886 556335324 /nfs/dbraw/zinc/33/53/24/556335324.db2.gz ONOYFLUHLLHVPS-UHFFFAOYSA-N 0 0 457.481 4.867 40 0 JJABRN FC(F)(F)c1ccc(Cl)c(N2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000028616641 556336886 /nfs/dbraw/zinc/33/68/86/556336886.db2.gz FAFVAYMJLYJAOV-UHFFFAOYSA-N 0 0 462.299 4.891 40 0 JJABRN CC(C)c1ccc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(C(C)C)c1 ZINC000019366190 556345671 /nfs/dbraw/zinc/34/56/71/556345671.db2.gz COLOGUIDTBCFOM-IZLXSDGUSA-N 0 0 464.650 4.890 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019519910 556350368 /nfs/dbraw/zinc/35/03/68/556350368.db2.gz XCMIKXKEJMDYGE-AREMUKBSSA-N 0 0 484.604 4.566 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522947 556350698 /nfs/dbraw/zinc/35/06/98/556350698.db2.gz VLGLUNYZXGHMPI-RUZDIDTESA-N 0 0 456.594 4.804 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522946 556350762 /nfs/dbraw/zinc/35/07/62/556350762.db2.gz VLGLUNYZXGHMPI-VWLOTQADSA-N 0 0 456.594 4.804 40 0 JJABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N(CC)Cc3ccccc3)cc2c1 ZINC000019522991 556351140 /nfs/dbraw/zinc/35/11/40/556351140.db2.gz QVXVVKYRUZWTNN-HHHXNRCGSA-N 0 0 478.600 4.737 40 0 JJABRN CCN(Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000019526617 556351161 /nfs/dbraw/zinc/35/11/61/556351161.db2.gz ZUJBGIYJWJFYJS-RUZDIDTESA-N 0 0 472.593 4.640 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(NC(=O)C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)ccc1C ZINC000013129254 556351448 /nfs/dbraw/zinc/35/14/48/556351448.db2.gz AKUROKYGJFDCPN-RGMRCXJASA-N 0 0 483.472 4.698 40 0 JJABRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)ccc2N2CCCC2)cc1 ZINC000013137834 556369028 /nfs/dbraw/zinc/36/90/28/556369028.db2.gz POPJYSYLCKXVGD-ZCNNSNEGSA-N 0 0 483.634 4.861 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030847713 556376183 /nfs/dbraw/zinc/37/61/83/556376183.db2.gz YQWVSIUQRRCVHB-BWKNWUBXSA-N 0 0 450.604 4.672 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccc(F)cc2)cc1OC ZINC000030858154 556380558 /nfs/dbraw/zinc/38/05/58/556380558.db2.gz DHZUDHVGPRYUFN-UHFFFAOYSA-N 0 0 482.577 4.687 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000030860029 556381268 /nfs/dbraw/zinc/38/12/68/556381268.db2.gz WXKVYETXHKKKAX-CLYVBNDRSA-N 0 0 476.598 4.969 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccccc1 ZINC000030861874 556381861 /nfs/dbraw/zinc/38/18/61/556381861.db2.gz NJMJQCLRNFGSKM-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)CC2)c1 ZINC000030866191 556383550 /nfs/dbraw/zinc/38/35/50/556383550.db2.gz OWASBKVVWYNCQT-MHZLTWQESA-N 0 0 476.642 4.751 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000030868926 556384162 /nfs/dbraw/zinc/38/41/62/556384162.db2.gz TYZNARUAJPTZMA-QGZVFWFLSA-N 0 0 489.852 4.847 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 ZINC000030869382 556384404 /nfs/dbraw/zinc/38/44/04/556384404.db2.gz CADFVWPTZKRNBE-AREMUKBSSA-N 0 0 486.678 4.573 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 ZINC000019820148 556389095 /nfs/dbraw/zinc/38/90/95/556389095.db2.gz UMYVUBSLFBPDFP-DQEYMECFSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 ZINC000019820214 556389099 /nfs/dbraw/zinc/38/90/99/556389099.db2.gz TVIOSNXCTMBXEY-JWQCQUIFSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000019820455 556389637 /nfs/dbraw/zinc/38/96/37/556389637.db2.gz LSHHHDDZPJXADU-JWQCQUIFSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1OCC ZINC000019820702 556390509 /nfs/dbraw/zinc/39/05/09/556390509.db2.gz JLZCLCKPXATOFP-UIOOFZCWSA-N 0 0 483.568 4.793 40 0 JJABRN COc1ccc([C@H]2N[C@H](c3ccc(OC)c(OC)c3)Cc3cc(OC)c(OC)cc32)cc1OC ZINC000031795262 556404778 /nfs/dbraw/zinc/40/47/78/556404778.db2.gz HJTUCLGFYSNIMK-CCLHPLFOSA-N 0 0 465.546 4.715 40 0 JJABRN COc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000031903449 556409667 /nfs/dbraw/zinc/40/96/67/556409667.db2.gz PDKZQLDWTWAZEL-JOCHJYFZSA-N 0 0 455.558 4.683 40 0 JJABRN COc1ccc(C2=NN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101054 556416631 /nfs/dbraw/zinc/41/66/31/556416631.db2.gz DDHITPRZOKQUQI-JEOXALJRSA-N 0 0 477.266 4.657 40 0 JJABRN O=C(c1ccc(Br)cc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101396 556417051 /nfs/dbraw/zinc/41/70/51/556417051.db2.gz QJWVPGPLSROKMB-INIZCTEOSA-N 0 0 492.089 4.713 40 0 JJABRN Cc1cc(C)c(OCC(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)c(C)c1 ZINC000032101465 556417062 /nfs/dbraw/zinc/41/70/62/556417062.db2.gz VVBHAEZKWSECGN-HXUWFJFHSA-N 0 0 485.300 4.641 40 0 JJABRN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(I)c1 ZINC000032124564 556427235 /nfs/dbraw/zinc/42/72/35/556427235.db2.gz QLGLXMDMIJKUIQ-UHFFFAOYSA-N 0 0 472.282 4.830 40 0 JJABRN CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1Cl ZINC000032124984 556428351 /nfs/dbraw/zinc/42/83/51/556428351.db2.gz DOFMMDRSMLVCPB-UHFFFAOYSA-N 0 0 494.931 4.955 40 0 JJABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000032125258 556429321 /nfs/dbraw/zinc/42/93/21/556429321.db2.gz UROGQLNLVDUSLW-UHFFFAOYSA-N 0 0 471.601 4.964 40 0 JJABRN O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cc(Br)ccc1Cl ZINC000032127690 556432262 /nfs/dbraw/zinc/43/22/62/556432262.db2.gz BBSOSLGUSSDJTL-UHFFFAOYSA-N 0 0 452.761 4.801 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032639666 556458874 /nfs/dbraw/zinc/45/88/74/556458874.db2.gz ZDWHDRCMRJHDPQ-DOTOQJQBSA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1Cl)N2c1cccc(Cl)c1 ZINC000032640549 556463073 /nfs/dbraw/zinc/46/30/73/556463073.db2.gz MVLBSLTWUSRELD-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640521 556463138 /nfs/dbraw/zinc/46/31/38/556463138.db2.gz UJTCGLHXCSJNIT-PKOBYXMFSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640552 556463146 /nfs/dbraw/zinc/46/31/46/556463146.db2.gz MVLBSLTWUSRELD-DLBZAZTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640803 556463720 /nfs/dbraw/zinc/46/37/20/556463720.db2.gz UOVXSYIWJICRRT-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640793 556463740 /nfs/dbraw/zinc/46/37/40/556463740.db2.gz MWAXXYKHKZAPND-RBUKOAKNSA-N 0 0 455.432 4.885 40 0 JJABRN Cc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289090 560033302 /nfs/dbraw/zinc/03/33/02/560033302.db2.gz NTWVQBREUNLXRF-WMZOPIPTSA-N 0 0 461.484 4.925 40 0 biogenic,in-vitro JJABRN O=C(Nc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896832 560050280 /nfs/dbraw/zinc/05/02/80/560050280.db2.gz CDFLOFCFMDAHDJ-ISKFKSNPSA-N 0 0 499.489 4.810 40 0 biogenic,in-vitro JJABRN COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNS(=O)(=O)c4ccccc4)C=C3C)nc2c1 ZINC000072320993 560077669 /nfs/dbraw/zinc/07/76/69/560077669.db2.gz IXSNPAMSQVJVBZ-FUDKSRODSA-N 0 0 495.645 4.725 40 0 biogenic,in-vitro JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)cc2)[C@H](C(=O)NC2CCCC2)c2cccs2)no1 ZINC000008671403 562949465 /nfs/dbraw/zinc/94/94/65/562949465.db2.gz MBARRFIRSRKYQC-VWLOTQADSA-N 0 0 494.617 4.905 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)no1 ZINC000008677059 562950564 /nfs/dbraw/zinc/95/05/64/562950564.db2.gz DVGXRQHGSXMSRK-MHZLTWQESA-N 0 0 488.588 4.843 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)no1 ZINC000008680635 562951001 /nfs/dbraw/zinc/95/10/01/562951001.db2.gz FCGUGAFYRLKCKD-SANMLTNESA-N 0 0 492.576 4.514 40 0 JJABRN C/C=C/Cn1c(-c2ccc(Br)cc2)cs/c1=N\S(=O)(=O)c1cccs1 ZINC000054138547 569589315 /nfs/dbraw/zinc/58/93/15/569589315.db2.gz ZFHBDAXLJNZEHL-JCAHRCEDSA-N 0 0 455.424 4.906 40 0 JJABRN CC1=CC(C)(C)Nc2ccc(OC(=O)[C@@H](Cc3ccccc3)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc21 ZINC000008681159 569592802 /nfs/dbraw/zinc/59/28/02/569592802.db2.gz GNEJUACCNLTVQV-WRALFONMSA-N 0 0 472.585 4.986 40 0 JJABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc2nsnc2c1 ZINC000057312892 569596491 /nfs/dbraw/zinc/59/64/91/569596491.db2.gz NIEMRHPPRIKBMZ-UHFFFAOYSA-N 0 0 479.978 4.514 40 0 JJABRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2nsnc2c1 ZINC000057314111 569596840 /nfs/dbraw/zinc/59/68/40/569596840.db2.gz DRVHVCMJXPJRBT-UHFFFAOYSA-N 0 0 461.597 4.773 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c(OC)c1 ZINC000057316161 569597511 /nfs/dbraw/zinc/59/75/11/569597511.db2.gz ZGZGZZNREPWXQG-UHFFFAOYSA-N 0 0 475.526 4.829 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc5ccccc54)c3)nn12 ZINC000057316447 569597788 /nfs/dbraw/zinc/59/77/88/569597788.db2.gz RRXMXOKBRBYANX-UHFFFAOYSA-N 0 0 458.572 4.695 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000057316446 569597804 /nfs/dbraw/zinc/59/78/04/569597804.db2.gz SKVSMHWKOFNYDP-UHFFFAOYSA-N 0 0 474.630 4.661 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4)c3)nn12 ZINC000057316482 569597919 /nfs/dbraw/zinc/59/79/19/569597919.db2.gz HRSZPISMZBUYDO-DHZHZOJOSA-N 0 0 468.995 4.595 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057316586 569597928 /nfs/dbraw/zinc/59/79/28/569597928.db2.gz FGECOIXMORVOJK-UHFFFAOYSA-N 0 0 459.365 4.831 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl ZINC000057327785 569598721 /nfs/dbraw/zinc/59/87/21/569598721.db2.gz ZDFFGLHAXABKLW-UHFFFAOYSA-N 0 0 466.950 4.746 40 0 JJABRN CC[C@H](C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000057328357 569598853 /nfs/dbraw/zinc/59/88/53/569598853.db2.gz UCMLLULFJFHYPF-INIZCTEOSA-N 0 0 460.559 4.872 40 0 JJABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000057333474 569598958 /nfs/dbraw/zinc/59/89/58/569598958.db2.gz OZSVQTCCVPLCBA-UHFFFAOYSA-N 0 0 485.334 4.585 40 0 JJABRN O=c1[nH]c2c(s1)[C@@H]1c3cc(Br)ccc3OC(=O)[C@@H]1[C@H](c1ccc(F)cc1)S2 ZINC000008735701 569602012 /nfs/dbraw/zinc/60/20/12/569602012.db2.gz LVDSYUCPEJSAIB-ILXRZTDVSA-N 0 0 464.337 4.852 40 0 JJABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Br)cc1 ZINC000059294114 569602429 /nfs/dbraw/zinc/60/24/29/569602429.db2.gz FWFDFMZXEOBORW-UHFFFAOYSA-N 0 0 458.337 4.730 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)cc1Cl ZINC000059294542 569602604 /nfs/dbraw/zinc/60/26/04/569602604.db2.gz GCULVCAQGIVNAO-UHFFFAOYSA-N 0 0 474.751 4.697 40 0 JJABRN Cc1cc(C)cc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059444095 569604002 /nfs/dbraw/zinc/60/40/02/569604002.db2.gz GQYVDHUTNMKXHO-UHFFFAOYSA-N 0 0 456.995 4.829 40 0 JJABRN O=C(CSc1ccccn1)Nc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 ZINC000059459226 569604107 /nfs/dbraw/zinc/60/41/07/569604107.db2.gz QIWFPBOJNBXPLE-UHFFFAOYSA-N 0 0 472.661 4.963 40 0 JJABRN Cc1cccc(N2C(=O)C[C@@H]([C@H]3CC(C)=C4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]4C3)C2=O)c1C ZINC000059461491 569604292 /nfs/dbraw/zinc/60/42/92/569604292.db2.gz RLHXENKQXDBNOX-BTKWVRSESA-N 0 0 470.569 4.572 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 ZINC000059475269 569604718 /nfs/dbraw/zinc/60/47/18/569604718.db2.gz LGEHHECBPLMVER-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCCCCC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)CCCCC)s2)s1 ZINC000059498719 569606100 /nfs/dbraw/zinc/60/61/00/569606100.db2.gz PJHVOXBBTCVAKU-UHFFFAOYSA-N 0 0 484.717 4.946 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000059559042 569606739 /nfs/dbraw/zinc/60/67/39/569606739.db2.gz RIJYXUJGEINUNJ-UHFFFAOYSA-N 0 0 483.012 4.928 40 0 JJABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000059678104 569607486 /nfs/dbraw/zinc/60/74/86/569607486.db2.gz ZOJSTFDVXVBKDU-RGFRMHDHSA-N 0 0 494.616 4.726 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3Cl)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032986156 569608808 /nfs/dbraw/zinc/60/88/08/569608808.db2.gz IKSAXOVDFLUZLC-UHFFFAOYSA-N 0 0 484.025 4.786 40 0 JJABRN CCCn1c2nnc(SCc3ccccc3F)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000032986148 569608831 /nfs/dbraw/zinc/60/88/31/569608831.db2.gz VKYKPVJWBUGKGO-UHFFFAOYSA-N 0 0 493.608 4.948 40 0 JJABRN CCOc1cc(/C=C/C(=O)NCCC(=O)OC)cc(Br)c1OCc1ccccc1Cl ZINC000062715610 569614389 /nfs/dbraw/zinc/61/43/89/569614389.db2.gz URWYMQNTJHRBRP-CMDGGOBGSA-N 0 0 496.785 4.773 40 0 JJABRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2C)c1 ZINC000033392908 569625623 /nfs/dbraw/zinc/62/56/23/569625623.db2.gz VDFAZRHCYWMKMD-UHFFFAOYSA-N 0 0 461.385 4.504 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000033389942 569625652 /nfs/dbraw/zinc/62/56/52/569625652.db2.gz FAEUEVWUQHFQSU-KRWDZBQOSA-N 0 0 488.993 4.796 40 0 JJABRN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000033402353 569625923 /nfs/dbraw/zinc/62/59/23/569625923.db2.gz MJCNKXPCIVSEEB-ZROIWOOFSA-N 0 0 486.390 4.555 40 0 JJABRN CCCOc1c(I)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC ZINC000033446545 569626496 /nfs/dbraw/zinc/62/64/96/569626496.db2.gz IZSASVFVKZJFIF-UHFFFAOYSA-N 0 0 488.705 4.782 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000033474507 569626789 /nfs/dbraw/zinc/62/67/89/569626789.db2.gz KXOZCNYQKPELJD-OAHLLOKOSA-N 0 0 491.539 4.847 40 0 JJABRN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NC2CCCC2)n1C ZINC000033517672 569627254 /nfs/dbraw/zinc/62/72/54/569627254.db2.gz ASSLYZJHPLYBKC-GOSISDBHSA-N 0 0 498.480 4.790 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)NC1CCCCC1 ZINC000033562295 569627898 /nfs/dbraw/zinc/62/78/98/569627898.db2.gz AFBAFBILYYJOMU-UHFFFAOYSA-N 0 0 451.386 4.621 40 0 JJABRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl ZINC000033562972 569627925 /nfs/dbraw/zinc/62/79/25/569627925.db2.gz KOOOSNVLMOBDBU-WIWNTQSISA-N 0 0 467.305 4.643 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000033619133 569628995 /nfs/dbraw/zinc/62/89/95/569628995.db2.gz GTVZUWOGIHNSHA-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000033636439 569629297 /nfs/dbraw/zinc/62/92/97/569629297.db2.gz FKQNDHNQRDQFJT-UHFFFAOYSA-N 0 0 479.945 4.666 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(I)c1OC ZINC000033661943 569630099 /nfs/dbraw/zinc/63/00/99/569630099.db2.gz PPOYYQOYCKYEPK-UHFFFAOYSA-N 0 0 452.075 4.868 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nn12 ZINC000033704847 569631193 /nfs/dbraw/zinc/63/11/93/569631193.db2.gz QNJGOZHWKPHKLX-UHFFFAOYSA-N 0 0 456.984 4.504 40 0 JJABRN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCCOc2ccccc2)n1C ZINC000033712844 569631425 /nfs/dbraw/zinc/63/14/25/569631425.db2.gz IUVOZTAIBXPIJP-ZDUSSCGKSA-N 0 0 451.379 4.784 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 ZINC000033719424 569631871 /nfs/dbraw/zinc/63/18/71/569631871.db2.gz IHOSKAYZJVDATA-UHFFFAOYSA-N 0 0 453.292 4.740 40 0 JJABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1Br ZINC000033724896 569632187 /nfs/dbraw/zinc/63/21/87/569632187.db2.gz NBHWOKKERYBYGF-PDGQHHTCSA-N 0 0 481.412 4.533 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)CC)CC2)cc1Cl ZINC000033731391 569632527 /nfs/dbraw/zinc/63/25/27/569632527.db2.gz KECKECROHOWLJY-UHFFFAOYSA-N 0 0 450.366 4.703 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1C)c1ccc(F)cc1 ZINC000033737756 569632865 /nfs/dbraw/zinc/63/28/65/569632865.db2.gz FUFZNIMYAAFAGX-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(OC)c1 ZINC000033744616 569633328 /nfs/dbraw/zinc/63/33/28/569633328.db2.gz PJEJGCXXLBPHDQ-UHFFFAOYSA-N 0 0 454.548 4.682 40 0 JJABRN CC[C@@H](C(=O)c1ccc(Br)cc1)[C@@H]1[C@H](C(=O)NCc2ccccc2)C(=O)OC1(C)C ZINC000033821690 569635645 /nfs/dbraw/zinc/63/56/45/569635645.db2.gz DGWKURPWJHZDER-VAMGGRTRSA-N 0 0 472.379 4.542 40 0 JJABRN COc1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1OC ZINC000034202319 569639672 /nfs/dbraw/zinc/63/96/72/569639672.db2.gz ZCOIDWNIZQWAIU-BMRADRMJSA-N 0 0 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HHBJMBDMRPNYGU-GSDHBNRESA-N 0 0 472.541 4.844 40 0 JJABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1CC ZINC000101188871 569786464 /nfs/dbraw/zinc/78/64/64/569786464.db2.gz VJWOAEGQILNTJZ-UHFFFAOYSA-N 0 0 454.596 4.932 40 0 JJABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 ZINC000101225708 569787525 /nfs/dbraw/zinc/78/75/25/569787525.db2.gz IQBCKQICGVMOMB-VSKRKVRLSA-N 0 0 452.432 4.752 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000101241074 569787899 /nfs/dbraw/zinc/78/78/99/569787899.db2.gz KCPNSCLXHOLDPK-FKBYEOEOSA-N 0 0 479.330 4.509 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1)c1ccc(F)cc1 ZINC000101465687 569798615 /nfs/dbraw/zinc/79/86/15/569798615.db2.gz PIZLGFNLLCQXQH-YNJKOYDBSA-N 0 0 485.511 4.939 40 0 JJABRN CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1O ZINC000038181789 569800243 /nfs/dbraw/zinc/80/02/43/569800243.db2.gz BMCBBQRLSSVXQW-FXAWDEMLSA-N 0 0 462.600 4.765 40 0 JJABRN Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc(Br)ccc1O ZINC000038186623 569800424 /nfs/dbraw/zinc/80/04/24/569800424.db2.gz CTEVMPDYNCDOOD-UHFFFAOYSA-N 0 0 487.301 4.700 40 0 JJABRN O=C1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)N2N=CNC2=N1 ZINC000038316011 569801392 /nfs/dbraw/zinc/80/13/92/569801392.db2.gz SYLKOWXVIXILKP-OAHLLOKOSA-N 0 0 468.138 4.511 40 0 JJABRN CCSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000038753720 569806725 /nfs/dbraw/zinc/80/67/25/569806725.db2.gz XNCPUCRAUDAOCJ-UHFFFAOYSA-N 0 0 486.615 4.650 40 0 JJABRN CC(C)C[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000038755590 569807145 /nfs/dbraw/zinc/80/71/45/569807145.db2.gz WHPKGRYWHAAOSG-SANMLTNESA-N 0 0 480.630 4.935 40 0 JJABRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000038756378 569807240 /nfs/dbraw/zinc/80/72/40/569807240.db2.gz LDXRICALKNQETA-UHFFFAOYSA-N 0 0 460.905 4.927 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 ZINC000038756344 569807259 /nfs/dbraw/zinc/80/72/59/569807259.db2.gz XNFABBLHCSRSKR-BWKNWUBXSA-N 0 0 450.604 4.672 40 0 JJABRN C[C@@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000038756487 569807306 /nfs/dbraw/zinc/80/73/06/569807306.db2.gz FTTJXGUJKCCISW-MRXNPFEDSA-N 0 0 460.958 4.936 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038772183 569807649 /nfs/dbraw/zinc/80/76/49/569807649.db2.gz WIQGPPSXXUACRX-DEOSSOPVSA-N 0 0 456.995 4.629 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 ZINC000038772906 569807742 /nfs/dbraw/zinc/80/77/42/569807742.db2.gz MWPKMXGCQCYWMK-QGZVFWFLSA-N 0 0 470.616 4.733 40 0 JJABRN O=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn21)N1N=CC[C@H]1c1ccccc1 ZINC000038784215 569807859 /nfs/dbraw/zinc/80/78/59/569807859.db2.gz GDPJFBRBWCKLSK-IBGZPJMESA-N 0 0 454.515 4.589 40 0 JJABRN COCc1nn2c(ncc(C(=O)Nc3ccccc3OC)c2C)c1-c1ccc(Br)cc1 ZINC000038829803 569808452 /nfs/dbraw/zinc/80/84/52/569808452.db2.gz TZAKNILMGAGEML-UHFFFAOYSA-N 0 0 481.350 4.875 40 0 JJABRN Cc1nccn1Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038858068 569808982 /nfs/dbraw/zinc/80/89/82/569808982.db2.gz FYUHZCWSLNHGNL-UHFFFAOYSA-N 0 0 450.586 4.787 40 0 JJABRN CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)NC1=S ZINC000039556277 569810273 /nfs/dbraw/zinc/81/02/73/569810273.db2.gz UQMRXVFFXKHILG-NDENLUEZSA-N 0 0 484.419 4.869 40 0 JJABRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N(CC)CC)c4ccccc34)N(C)C2=S)cc1 ZINC000039556574 569810569 /nfs/dbraw/zinc/81/05/69/569810569.db2.gz STOUAUDOJGCYGC-JLPGSUDCSA-N 0 0 490.629 4.513 40 0 JJABRN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC[C@@H]4C)c4ccccc34)NC2=S)cc1C ZINC000039556756 569810700 /nfs/dbraw/zinc/81/07/00/569810700.db2.gz RUZMEJHPTAPDFF-ORQKMDSUSA-N 0 0 486.641 4.921 40 0 JJABRN CO[C@@]1(C)O[C@]2(C)CO[C@H](c3ccccc3)O[C@@]2(C)[C@@](C)(O)[C@]1(C)O[C@]1(C)OC[C@H](C)[C@@H](C)[C@@H]1C ZINC000039945906 569812469 /nfs/dbraw/zinc/81/24/69/569812469.db2.gz BHHCZUBJUMCTLK-TXGBIQNXSA-N 0 0 492.653 4.823 40 0 JJABRN CCN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985344 569812905 /nfs/dbraw/zinc/81/29/05/569812905.db2.gz WVQJSYFEBHPLEF-UHFFFAOYSA-N 0 0 489.391 4.891 40 0 JJABRN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985338 569812913 /nfs/dbraw/zinc/81/29/13/569812913.db2.gz MQTSOZIHERQRRA-UHFFFAOYSA-N 0 0 499.736 4.771 40 0 JJABRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\C=C\c4ccccc4)c(=O)n31)c1ccccc1CC2 ZINC000040033124 569814399 /nfs/dbraw/zinc/81/43/99/569814399.db2.gz AFYKGEODGGWHCE-VQBUADSMSA-N 0 0 476.601 4.992 40 0 JJABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\C=C\c4ccccc4)c(=O)n31)c1ccccc1CC2 ZINC000040033125 569814416 /nfs/dbraw/zinc/81/44/16/569814416.db2.gz AFYKGEODGGWHCE-JMDDZKCKSA-N 0 0 476.601 4.992 40 0 JJABRN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102729548 569818001 /nfs/dbraw/zinc/81/80/01/569818001.db2.gz ICACOPHHXSRWJD-KKUQBAQOSA-N 0 0 450.494 4.900 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 ZINC000102745099 569819769 /nfs/dbraw/zinc/81/97/69/569819769.db2.gz GPZHXGOHLIVBGJ-TUFLPTIASA-N 0 0 459.937 4.533 40 0 JJABRN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccccc1)N2 ZINC000102753466 569820983 /nfs/dbraw/zinc/82/09/83/569820983.db2.gz HNDUBZLSTYITSF-DGQTTZFYSA-N 0 0 459.937 4.533 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccccc1F ZINC000102760210 569821745 /nfs/dbraw/zinc/82/17/45/569821745.db2.gz IQVSGJGTBVUQAH-HBMCJLEFSA-N 0 0 485.284 4.778 40 0 JJABRN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000102767313 569823211 /nfs/dbraw/zinc/82/32/11/569823211.db2.gz IUDQKXZNIVWKNW-UWHLTILDSA-N 0 0 459.937 4.533 40 0 JJABRN COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)nn21 ZINC000102768145 569823265 /nfs/dbraw/zinc/82/32/65/569823265.db2.gz RAZORPDCNBPKQT-JYAXBFRTSA-N 0 0 489.963 4.542 40 0 JJABRN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000102768033 569823291 /nfs/dbraw/zinc/82/32/91/569823291.db2.gz AEUJEVGHYFMSPF-KJJMTIBFSA-N 0 0 489.963 4.542 40 0 JJABRN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn21 ZINC000040385078 569824341 /nfs/dbraw/zinc/82/43/41/569824341.db2.gz NIWGRESVAHTEOF-UHFFFAOYSA-N 0 0 489.023 4.835 40 0 JJABRN CCc1nn2c(ncc3c2ccn(CCc2ccc(OC)c(OC)c2)c3=O)c1-c1ccccc1 ZINC000040387847 569824528 /nfs/dbraw/zinc/82/45/28/569824528.db2.gz ARENOSPBAADNLX-UHFFFAOYSA-N 0 0 454.530 4.534 40 0 JJABRN O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040396672 569825633 /nfs/dbraw/zinc/82/56/33/569825633.db2.gz UPUJFXRUHRUKIV-UHFFFAOYSA-N 0 0 468.275 4.541 40 0 JJABRN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397685 569825751 /nfs/dbraw/zinc/82/57/51/569825751.db2.gz GGXUCHUGCRNSPQ-UHFFFAOYSA-N 0 0 464.312 4.710 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399209 569826158 /nfs/dbraw/zinc/82/61/58/569826158.db2.gz CJXPYWWLYSABRS-LBPRGKRZSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399321 569826287 /nfs/dbraw/zinc/82/62/87/569826287.db2.gz RBDGGBULFHCQBG-LBPRGKRZSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1Cl ZINC000040400310 569827642 /nfs/dbraw/zinc/82/76/42/569827642.db2.gz DZUSNYLHRGYTHR-CQSZACIVSA-N 0 0 491.857 4.559 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c21 ZINC000040400306 569827689 /nfs/dbraw/zinc/82/76/89/569827689.db2.gz NEBADCDQRHFMJC-CQSZACIVSA-N 0 0 491.857 4.559 40 0 JJABRN CC(C)c1nn2c(nc(COc3cccc(NC(=O)CSc4ccccc4)c3)cc2=O)s1 ZINC000041076603 569835092 /nfs/dbraw/zinc/83/50/92/569835092.db2.gz WUZKVQYEIHKQCS-UHFFFAOYSA-N 0 0 466.588 4.584 40 0 JJABRN CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 ZINC000041078239 569836050 /nfs/dbraw/zinc/83/60/50/569836050.db2.gz ZIMKZLRRENNHSS-QFIPXVFZSA-N 0 0 463.921 4.723 40 0 JJABRN CC(C)N(Cc1ccccc1)C(=O)COc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O ZINC000041105106 569837797 /nfs/dbraw/zinc/83/77/97/569837797.db2.gz BETXMZBNQINDQL-UHFFFAOYSA-N 0 0 475.976 4.914 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1cc(OC)ccc1OC ZINC000103828738 569838231 /nfs/dbraw/zinc/83/82/31/569838231.db2.gz VREHIDNXIYCPJM-XMMPIXPASA-N 0 0 497.617 4.530 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@@H]1c1ccc(SC)cc1 ZINC000103828876 569838373 /nfs/dbraw/zinc/83/83/73/569838373.db2.gz VLXIAXOYCRVNFN-OAQYLSRUSA-N 0 0 455.605 4.618 40 0 JJABRN Cc1ccccc1N(CC(=O)Nc1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000044791733 569838897 /nfs/dbraw/zinc/83/88/97/569838897.db2.gz MIMGVOSLXPGSKV-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044791827 569838911 /nfs/dbraw/zinc/83/89/11/569838911.db2.gz IQPWWCLGPNRPBH-UHFFFAOYSA-N 0 0 489.062 4.893 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccccc2)c2ccccc2Cl)cc1 ZINC000044792827 569839065 /nfs/dbraw/zinc/83/90/65/569839065.db2.gz MGGSXXWIPZJZFL-UHFFFAOYSA-N 0 0 489.062 4.893 40 0 JJABRN Cc1ccc(CSCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044792650 569839136 /nfs/dbraw/zinc/83/91/36/569839136.db2.gz DVPCFEBVZNKNQQ-UHFFFAOYSA-N 0 0 482.671 4.857 40 0 JJABRN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000044871748 569839574 /nfs/dbraw/zinc/83/95/74/569839574.db2.gz WIASIVBVPLOHJZ-UHFFFAOYSA-N 0 0 484.021 4.667 40 0 JJABRN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000044871755 569839587 /nfs/dbraw/zinc/83/95/87/569839587.db2.gz ZQLPEWDZARKNPO-UHFFFAOYSA-N 0 0 498.048 4.975 40 0 JJABRN CC(=O)NC[C@@H](C)CCc1nnc2c(c1C)[C@@]1(C)CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000105364998 569852891 /nfs/dbraw/zinc/85/28/91/569852891.db2.gz INSJZTZMBXGLBZ-FXFRVWDUSA-N 0 0 465.682 4.827 40 0 JJABRN O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(Cl)cc1Cl ZINC000105932985 569853591 /nfs/dbraw/zinc/85/35/91/569853591.db2.gz NRVHRUGFMMCWTR-UHFFFAOYSA-N 0 0 474.167 4.977 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000106118681 569853807 /nfs/dbraw/zinc/85/38/07/569853807.db2.gz HCZBDNRCZNMOCR-UHFFFAOYSA-N 0 0 484.364 4.850 40 0 JJABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Br ZINC000106702941 569854858 /nfs/dbraw/zinc/85/48/58/569854858.db2.gz DYWDQSVYIZMQDX-BOPFTXTBSA-N 0 0 461.337 4.523 40 0 JJABRN CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106723924 569855133 /nfs/dbraw/zinc/85/51/33/569855133.db2.gz VAYIKYVYHOGAOC-WQRHYEAKSA-N 0 0 476.348 4.628 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OC(C)=O ZINC000106732512 569855254 /nfs/dbraw/zinc/85/52/54/569855254.db2.gz GXTCMDNPJZZKBC-ZDLGFXPLSA-N 0 0 462.321 4.620 40 0 JJABRN CCCOc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OCC ZINC000106746853 569855473 /nfs/dbraw/zinc/85/54/73/569855473.db2.gz AIMFNTQIUNXZDJ-YBEGLDIGSA-N 0 0 486.384 4.625 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Br)c1O ZINC000106783622 569855756 /nfs/dbraw/zinc/85/57/56/569855756.db2.gz FJGDMIDVYJNSBI-PDGQHHTCSA-N 0 0 478.364 4.977 40 0 JJABRN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000107301525 569856367 /nfs/dbraw/zinc/85/63/67/569856367.db2.gz XTGTYTZBINJEQO-NDEPHWFRSA-N 0 0 489.616 4.605 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000107569893 569856539 /nfs/dbraw/zinc/85/65/39/569856539.db2.gz UFUWXFUTCFQIDR-QHCPKHFHSA-N 0 0 495.649 4.781 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000107565499 569856555 /nfs/dbraw/zinc/85/65/55/569856555.db2.gz QYWPZXYVUKXDFX-QCUKBLKESA-N 0 0 466.987 4.575 40 0 JJABRN CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4Cl)c3)nn12 ZINC000107576247 569856574 /nfs/dbraw/zinc/85/65/74/569856574.db2.gz OOEKJBBKBBLTGU-UHFFFAOYSA-N 0 0 456.984 4.504 40 0 JJABRN CCOc1cc(C(=O)NCc2cccc3ccccc32)cc(I)c1OC ZINC000107584105 569856632 /nfs/dbraw/zinc/85/66/32/569856632.db2.gz SNJGCWGFJGTGLS-UHFFFAOYSA-N 0 0 461.299 4.782 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccc(Cl)cc1 ZINC000107597571 569856691 /nfs/dbraw/zinc/85/66/91/569856691.db2.gz PPHSEUVTAFEINJ-UHFFFAOYSA-N 0 0 498.910 4.855 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 ZINC000107652199 569856902 /nfs/dbraw/zinc/85/69/02/569856902.db2.gz VZBJCTDVMCCICD-UHFFFAOYSA-N 0 0 451.331 4.812 40 0 JJABRN CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1CC ZINC000107675983 569856982 /nfs/dbraw/zinc/85/69/82/569856982.db2.gz QLMSDGNHXCPKHZ-MRXNPFEDSA-N 0 0 469.586 4.530 40 0 JJABRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1C(=O)OC ZINC000107726400 569857163 /nfs/dbraw/zinc/85/71/63/569857163.db2.gz QVCWLTPEWVZIPN-UHFFFAOYSA-N 0 0 482.606 4.826 40 0 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ZINC000139026008 569866846 /nfs/dbraw/zinc/86/68/46/569866846.db2.gz GLFPVSBKUPSDGF-FQEVSTJZSA-N 0 0 458.514 4.631 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000139112679 569867218 /nfs/dbraw/zinc/86/72/18/569867218.db2.gz YCDQZVASHJGHOH-UHFFFAOYSA-N 0 0 488.165 4.965 40 0 JJABRN Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 ZINC000139112247 569867228 /nfs/dbraw/zinc/86/72/28/569867228.db2.gz HSFAKZUOYLSUSV-OAHLLOKOSA-N 0 0 493.785 4.563 40 0 JJABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000139944345 569867392 /nfs/dbraw/zinc/86/73/92/569867392.db2.gz NQOAUXJNWVBMNR-ZRZAMGCNSA-N 0 0 473.573 4.516 40 0 JJABRN O=c1/c(=C\c2ccccc2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000142845923 569867540 /nfs/dbraw/zinc/86/75/40/569867540.db2.gz QLEIXJWPJDNGNJ-ZMIGGIFCSA-N 0 0 454.982 4.972 40 0 JJABRN COc1ccccc1NC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000143068917 569867569 /nfs/dbraw/zinc/86/75/69/569867569.db2.gz IDONTCRLLBGFEI-UHFFFAOYSA-N 0 0 479.385 4.832 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 ZINC000165584925 569868055 /nfs/dbraw/zinc/86/80/55/569868055.db2.gz DJYZBQAQDUALPG-UHFFFAOYSA-N 0 0 450.894 4.837 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OC ZINC000215233551 569877288 /nfs/dbraw/zinc/87/72/88/569877288.db2.gz HGPAJUXJGQZLSI-WOJGMQOQSA-N 0 0 495.338 4.935 40 0 JJABRN CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)c1O[C@H](C)CC ZINC000197825042 569873818 /nfs/dbraw/zinc/87/38/18/569873818.db2.gz FIBCWSUWQZUOBM-CQLSMYGBSA-N 0 0 473.392 4.795 40 0 JJABRN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000205690066 569874119 /nfs/dbraw/zinc/87/41/19/569874119.db2.gz LDGYMANUBOOMNH-FYJGNVAPSA-N 0 0 455.532 4.572 40 0 JJABRN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000214582091 569876753 /nfs/dbraw/zinc/87/67/53/569876753.db2.gz HGOVRCYHFAIKBM-VCHYOVAHSA-N 0 0 476.348 4.546 40 0 JJABRN CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000214646919 569876884 /nfs/dbraw/zinc/87/68/84/569876884.db2.gz NIBYBVIQSYPZSN-GZTJUZNOSA-N 0 0 461.337 4.523 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000216273989 569878079 /nfs/dbraw/zinc/87/80/79/569878079.db2.gz HQDYKAQJYUSOJH-HSZRJFAPSA-N 0 0 458.624 4.777 40 0 JJABRN Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000216293784 569878171 /nfs/dbraw/zinc/87/81/71/569878171.db2.gz CIDMOYLFJMIGEI-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000216343173 569878433 /nfs/dbraw/zinc/87/84/33/569878433.db2.gz HLMHDDBSQIQTGY-UHFFFAOYSA-N 0 0 460.958 4.718 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000216355244 569878460 /nfs/dbraw/zinc/87/84/60/569878460.db2.gz NCWKGPCZXGMKML-QHCPKHFHSA-N 0 0 479.042 4.653 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000216404380 569878691 /nfs/dbraw/zinc/87/86/91/569878691.db2.gz RYGCIHBKYGZJSB-QHCPKHFHSA-N 0 0 476.520 4.686 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000216474772 569879050 /nfs/dbraw/zinc/87/90/50/569879050.db2.gz YNAIIEMRPQFSAS-IBGZPJMESA-N 0 0 452.576 4.994 40 0 JJABRN O=C(NCc1ccccc1-n1ccnc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000216481821 569879052 /nfs/dbraw/zinc/87/90/52/569879052.db2.gz DGKYECXLOAKALE-NDEPHWFRSA-N 0 0 482.609 4.619 40 0 JJABRN CCOc1cc(-c2nnc(N)o2)cc(I)c1OCc1ccc(F)cc1Cl ZINC000216824912 569879553 /nfs/dbraw/zinc/87/95/53/569879553.db2.gz DIZWTWXGJFWAFX-UHFFFAOYSA-N 0 0 489.672 4.694 40 0 JJABRN Cc1cc(Br)cc(Br)c1OCC(=O)n1cc(CO)c2ccccc21 ZINC000216852684 569879731 /nfs/dbraw/zinc/87/97/31/569879731.db2.gz ZOGVMZDHAXOLLJ-UHFFFAOYSA-N 0 0 453.130 4.686 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222385205 569884055 /nfs/dbraw/zinc/88/40/55/569884055.db2.gz XRPYECDXZFNBIV-QGZVFWFLSA-N 0 0 475.427 4.597 40 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ZINC000222718099 569889423 /nfs/dbraw/zinc/88/94/23/569889423.db2.gz YJZSFPCEFQKWPO-UHFFFAOYSA-N 0 0 481.058 4.731 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222725600 569889610 /nfs/dbraw/zinc/88/96/10/569889610.db2.gz BLSTZYRJSNTQJT-HXUWFJFHSA-N 0 0 480.992 4.504 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC ZINC000222729777 569889708 /nfs/dbraw/zinc/88/97/08/569889708.db2.gz OENRJUUGXAUOOR-LJQANCHMSA-N 0 0 480.992 4.633 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000222739558 569889986 /nfs/dbraw/zinc/88/99/86/569889986.db2.gz SXSDUKXZVYOXKE-QFIPXVFZSA-N 0 0 497.419 4.721 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000222739038 569889999 /nfs/dbraw/zinc/88/99/99/569889999.db2.gz NJIZHVJNQJNMOM-QFIPXVFZSA-N 0 0 489.374 4.897 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(F)cc1 ZINC000222751109 569890260 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4.764 40 0 JJABRN Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)cc1C ZINC000222788392 569891116 /nfs/dbraw/zinc/89/11/16/569891116.db2.gz ZGCQDIBNVUXYSB-UHFFFAOYSA-N 0 0 478.614 4.795 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc2ccccc21 ZINC000222794340 569891281 /nfs/dbraw/zinc/89/12/81/569891281.db2.gz WIVCWVOCFGEXGF-UHFFFAOYSA-N 0 0 452.576 4.594 40 0 JJABRN O=C(NCc1ccc2ccccc2c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000222798529 569891380 /nfs/dbraw/zinc/89/13/80/569891380.db2.gz NRQWDTHEFVZWQO-VWLOTQADSA-N 0 0 492.984 4.766 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000222798496 569891386 /nfs/dbraw/zinc/89/13/86/569891386.db2.gz DWSLKLFMKHIEJI-IBGZPJMESA-N 0 0 455.357 4.843 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222799768 569891388 /nfs/dbraw/zinc/89/13/88/569891388.db2.gz UNRHLVOGIZTTNB-QGZVFWFLSA-N 0 0 470.978 4.806 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222803732 569891511 /nfs/dbraw/zinc/89/15/11/569891511.db2.gz LHMUIGVUNQDUCV-JOCHJYFZSA-N 0 0 463.043 4.914 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222803676 569891532 /nfs/dbraw/zinc/89/15/32/569891532.db2.gz LHMUIGVUNQDUCV-QFIPXVFZSA-N 0 0 463.043 4.914 40 0 JJABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222809681 569891666 /nfs/dbraw/zinc/89/16/66/569891666.db2.gz RAZCVTDLQVBIKI-SFHVURJKSA-N 0 0 461.002 4.623 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222815769 569891784 /nfs/dbraw/zinc/89/17/84/569891784.db2.gz ZJJYZEGJJVLSIU-QGZVFWFLSA-N 0 0 461.002 4.622 40 0 JJABRN COc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1OC ZINC000222815716 569891814 /nfs/dbraw/zinc/89/18/14/569891814.db2.gz ZJJYZEGJJVLSIU-KRWDZBQOSA-N 0 0 461.002 4.622 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1cccc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000222831900 569892145 /nfs/dbraw/zinc/89/21/45/569892145.db2.gz IBYUJCOLWVPGHZ-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222839228 569892322 /nfs/dbraw/zinc/89/23/22/569892322.db2.gz RFJKRQYCLMCQTF-AREMUKBSSA-N 0 0 476.642 4.623 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840510 569892406 /nfs/dbraw/zinc/89/24/06/569892406.db2.gz BZCDGKOEGPGDFZ-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN CC(C)Sc1nnc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)s1 ZINC000222845712 569892521 /nfs/dbraw/zinc/89/25/21/569892521.db2.gz FVBRPZXBVWGXLV-UHFFFAOYSA-N 0 0 497.067 4.911 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2cccc3ccccc32)cc1 ZINC000222854177 569892796 /nfs/dbraw/zinc/89/27/96/569892796.db2.gz MVIQABVIZWEZQJ-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN O=C(NCc1cccc2ccccc21)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000222856600 569892851 /nfs/dbraw/zinc/89/28/51/569892851.db2.gz JFJMTGKNTCPPHB-UHFFFAOYSA-N 0 0 456.995 4.988 40 0 JJABRN Cc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1C ZINC000222859643 569892935 /nfs/dbraw/zinc/89/29/35/569892935.db2.gz OJUJEMPHMZOKNK-NRFANRHFSA-N 0 0 450.604 4.939 40 0 JJABRN Cc1ccc2c(c1)[C@H](NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000222865418 569893035 /nfs/dbraw/zinc/89/30/35/569893035.db2.gz BUSQHBSWNPOUSG-JOCHJYFZSA-N 0 0 458.624 4.577 40 0 JJABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222868974 569893145 /nfs/dbraw/zinc/89/31/45/569893145.db2.gz JTUIPXHQZDLIBX-QFIPXVFZSA-N 0 0 459.428 4.961 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCSCc1ccccc1 ZINC000222874454 569893273 /nfs/dbraw/zinc/89/32/73/569893273.db2.gz MDAYWTSBVXOMLG-SANMLTNESA-N 0 0 476.642 4.705 40 0 JJABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222879712 569893410 /nfs/dbraw/zinc/89/34/10/569893410.db2.gz SFZWSOKYZWPNJH-IBGZPJMESA-N 0 0 468.956 4.634 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222885742 569893566 /nfs/dbraw/zinc/89/35/66/569893566.db2.gz QRMPCRUDOJPXST-DEOSSOPVSA-N 0 0 485.411 4.931 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000222890436 569893724 /nfs/dbraw/zinc/89/37/24/569893724.db2.gz KOZDYPJWXCOIFD-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000222899557 569893864 /nfs/dbraw/zinc/89/38/64/569893864.db2.gz NXNTUMPAGURBEV-HXUWFJFHSA-N 0 0 451.394 4.747 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222897899 569893900 /nfs/dbraw/zinc/89/39/00/569893900.db2.gz OCQZKNLTWGCTIA-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222904793 569894009 /nfs/dbraw/zinc/89/40/09/569894009.db2.gz USZINEJZSXVKMK-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000222909711 569894088 /nfs/dbraw/zinc/89/40/88/569894088.db2.gz SHOOILBVUOPYKF-NRFANRHFSA-N 0 0 462.615 4.947 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 ZINC000222915196 569894288 /nfs/dbraw/zinc/89/42/88/569894288.db2.gz QACFRUOBDADKCN-XMMPIXPASA-N 0 0 484.593 4.990 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccccc2)cc1OC ZINC000222920998 569894401 /nfs/dbraw/zinc/89/44/01/569894401.db2.gz ZSKPAYJRPMAQIG-NRFANRHFSA-N 0 0 492.591 4.552 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921798 569894406 /nfs/dbraw/zinc/89/44/06/569894406.db2.gz IISNCIGOCBHRFQ-CQSZACIVSA-N 0 0 455.407 4.516 40 0 JJABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222921857 569894427 /nfs/dbraw/zinc/89/44/27/569894427.db2.gz IISNCIGOCBHRFQ-AWEZNQCLSA-N 0 0 455.407 4.516 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccccc2)cc1 ZINC000222920837 569894447 /nfs/dbraw/zinc/89/44/47/569894447.db2.gz MDKRFHVHQTUTEJ-NRFANRHFSA-N 0 0 462.565 4.543 40 0 JJABRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000222939370 569894987 /nfs/dbraw/zinc/89/49/87/569894987.db2.gz RZBBYCDDMLOQKR-QGZVFWFLSA-N 0 0 461.027 4.884 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCCCC1 ZINC000222940133 569895014 /nfs/dbraw/zinc/89/50/14/569895014.db2.gz VHRZUSNJZWSNKQ-LJQANCHMSA-N 0 0 470.635 4.630 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222944917 569895145 /nfs/dbraw/zinc/89/51/45/569895145.db2.gz KVJLRBJWRNXASZ-FQEVSTJZSA-N 0 0 454.636 4.785 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccc(C)cc3O2)cc1 ZINC000222969021 569895726 /nfs/dbraw/zinc/89/57/26/569895726.db2.gz SKPDQTNYANQRNN-IBVKSMDESA-N 0 0 478.614 4.700 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 ZINC000222967160 569895728 /nfs/dbraw/zinc/89/57/28/569895728.db2.gz HKTIOTBHWUCMQS-FQEVSTJZSA-N 0 0 462.587 4.571 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222983103 569896079 /nfs/dbraw/zinc/89/60/79/569896079.db2.gz MITAEYUDVWRQCL-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000222984655 569896138 /nfs/dbraw/zinc/89/61/38/569896138.db2.gz AHVNLZGFDWHRQU-JKSUJKDBSA-N 0 0 468.541 4.616 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1Cl ZINC000222986848 569896275 /nfs/dbraw/zinc/89/62/75/569896275.db2.gz HUMGJNSUDFFGDH-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c2ccccc2O1 ZINC000222988098 569896310 /nfs/dbraw/zinc/89/63/10/569896310.db2.gz DCRZGSQZYFAITK-JOCHJYFZSA-N 0 0 486.634 4.682 40 0 JJABRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c2ccccc2O1 ZINC000222988151 569896315 /nfs/dbraw/zinc/89/63/15/569896315.db2.gz DCRZGSQZYFAITK-QFIPXVFZSA-N 0 0 486.634 4.682 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000222991335 569896416 /nfs/dbraw/zinc/89/64/16/569896416.db2.gz HYOJKISNQSSGJT-MHZLTWQESA-N 0 0 458.602 4.650 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000222991831 569896427 /nfs/dbraw/zinc/89/64/27/569896427.db2.gz YIYYTLUTINKSID-DEOSSOPVSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222996224 569896469 /nfs/dbraw/zinc/89/64/69/569896469.db2.gz RSOFQVNDHSKVKO-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000222996381 569896481 /nfs/dbraw/zinc/89/64/81/569896481.db2.gz VFHQOCUWCSUYKS-FQEVSTJZSA-N 0 0 464.993 4.933 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223026767 569897126 /nfs/dbraw/zinc/89/71/26/569897126.db2.gz ZNNKFRUZJNWZTP-KRWDZBQOSA-N 0 0 463.043 4.914 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025862 569897130 /nfs/dbraw/zinc/89/71/30/569897130.db2.gz IPUNUPWGVZZYOQ-MHZLTWQESA-N 0 0 476.592 4.789 40 0 JJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 ZINC000223030044 569897278 /nfs/dbraw/zinc/89/72/78/569897278.db2.gz LMSXKLFSQXLYHM-UXHICEINSA-N 0 0 476.371 4.862 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1OC ZINC000223031600 569897344 /nfs/dbraw/zinc/89/73/44/569897344.db2.gz FPTMGDVQYVPAKE-SANMLTNESA-N 0 0 488.628 4.659 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223032486 569897356 /nfs/dbraw/zinc/89/73/56/569897356.db2.gz MKLNSQDVVDTNID-ZDUSSCGKSA-N 0 0 472.210 4.852 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223032909 569897373 /nfs/dbraw/zinc/89/73/73/569897373.db2.gz KCJHTSGSCRWXIM-ZDUSSCGKSA-N 0 0 472.210 4.852 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223032419 569897377 /nfs/dbraw/zinc/89/73/77/569897377.db2.gz MKLNSQDVVDTNID-CYBMUJFWSA-N 0 0 472.210 4.852 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223038794 569897525 /nfs/dbraw/zinc/89/75/25/569897525.db2.gz MDKLSRAPANCOHP-OAQYLSRUSA-N 0 0 469.434 4.906 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223046767 569897691 /nfs/dbraw/zinc/89/76/91/569897691.db2.gz WKZCZTGRFYFQGN-OAQYLSRUSA-N 0 0 489.454 4.987 40 0 JJABRN O=C(NCC1(c2ccccc2)CCOCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000223049916 569897729 /nfs/dbraw/zinc/89/77/29/569897729.db2.gz GLKQMRHNQMGDCN-UHFFFAOYSA-N 0 0 485.005 4.619 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223051429 569897792 /nfs/dbraw/zinc/89/77/92/569897792.db2.gz UYQSLCFTFSEKDL-FQEVSTJZSA-N 0 0 469.434 4.906 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223051001 569897822 /nfs/dbraw/zinc/89/78/22/569897822.db2.gz NPERVIOSBKSTSN-QFIPXVFZSA-N 0 0 493.467 4.670 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)cc1OCC ZINC000223052360 569897830 /nfs/dbraw/zinc/89/78/30/569897830.db2.gz NXPOGDZVWOHWLW-HXUWFJFHSA-N 0 0 484.637 4.757 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1OC ZINC000223059780 569898094 /nfs/dbraw/zinc/89/80/94/569898094.db2.gz NULZYCMHIGZYEY-AREMUKBSSA-N 0 0 488.628 4.659 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000223061336 569898145 /nfs/dbraw/zinc/89/81/45/569898145.db2.gz OLDAFFHHABHYMP-IGKIAQTJSA-N 0 0 490.625 4.789 40 0 JJABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223062189 569898182 /nfs/dbraw/zinc/89/81/82/569898182.db2.gz XKGLKVNPXNPHKE-IIBYNOLFSA-N 0 0 479.042 4.649 40 0 JJABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 ZINC000223065409 569898304 /nfs/dbraw/zinc/89/83/04/569898304.db2.gz HCOHZFQIXYXNFT-LEWJYISDSA-N 0 0 471.424 4.644 40 0 JJABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 ZINC000223065117 569898314 /nfs/dbraw/zinc/89/83/14/569898314.db2.gz RSUQNIGKYKDQHV-RTWAWAEBSA-N 0 0 471.424 4.644 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223067869 569898385 /nfs/dbraw/zinc/89/83/85/569898385.db2.gz DFYNCWBGTLJSTN-NSOVKSMOSA-N 0 0 470.613 4.555 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223068337 569898409 /nfs/dbraw/zinc/89/84/09/569898409.db2.gz ARJKHPJKAKNHAH-GDLZYMKVSA-N 0 0 477.608 4.971 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223069430 569898470 /nfs/dbraw/zinc/89/84/70/569898470.db2.gz FKBOAIIQNUXIJD-QGZVFWFLSA-N 0 0 475.427 4.679 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1ccc2c(c1)CCCC2 ZINC000223069359 569898481 /nfs/dbraw/zinc/89/84/81/569898481.db2.gz LJZRSWCENKHFIV-VWLOTQADSA-N 0 0 454.636 4.930 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 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ZINC000223271255 569905613 /nfs/dbraw/zinc/90/56/13/569905613.db2.gz QGAUQIWMYRUZSK-HSZRJFAPSA-N 0 0 480.992 4.504 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000223271106 569905641 /nfs/dbraw/zinc/90/56/41/569905641.db2.gz MVFXGROMEFDDBG-RUZDIDTESA-N 0 0 480.992 4.504 40 0 JJABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000223277210 569905881 /nfs/dbraw/zinc/90/58/81/569905881.db2.gz HSVAIUBWIISUDA-VWLOTQADSA-N 0 0 470.635 4.926 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223279538 569905984 /nfs/dbraw/zinc/90/59/84/569905984.db2.gz LTHAPHCMEYJRDL-HHHXNRCGSA-N 0 0 458.602 4.794 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 ZINC000223278248 569905986 /nfs/dbraw/zinc/90/59/86/569905986.db2.gz OZXBAHTZKNJAJQ-GDLZYMKVSA-N 0 0 493.607 4.589 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223283764 569906070 /nfs/dbraw/zinc/90/60/70/569906070.db2.gz XDRIQKDWDJBHIN-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223286021 569906205 /nfs/dbraw/zinc/90/62/05/569906205.db2.gz HDMDZNWQUAPPGC-INIZCTEOSA-N 0 0 497.455 4.533 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C(C)C ZINC000223287883 569906283 /nfs/dbraw/zinc/90/62/83/569906283.db2.gz WJKKGHBFBRZSBB-QGZVFWFLSA-N 0 0 467.031 4.732 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1C(C)C ZINC000223288615 569906313 /nfs/dbraw/zinc/90/63/13/569906313.db2.gz KCYKZJVNABXEDR-INIZCTEOSA-N 0 0 497.455 4.533 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223293170 569906469 /nfs/dbraw/zinc/90/64/69/569906469.db2.gz HJSZHZJHTBCJLO-HSZRJFAPSA-N 0 0 471.601 4.831 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223310150 569906869 /nfs/dbraw/zinc/90/68/69/569906869.db2.gz UIIBWBXQBDOFKA-WOJBJXKFSA-N 0 0 460.640 4.776 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223309702 569906883 /nfs/dbraw/zinc/90/68/83/569906883.db2.gz NVGFPPFOIOZNPH-WNCULLNHSA-N 0 0 458.602 4.929 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223310205 569906913 /nfs/dbraw/zinc/90/69/13/569906913.db2.gz UIIBWBXQBDOFKA-VQTJNVASSA-N 0 0 460.640 4.776 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223319498 569907384 /nfs/dbraw/zinc/90/73/84/569907384.db2.gz OSMFXBODXGGYOM-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1C(C)C ZINC000223314916 569907104 /nfs/dbraw/zinc/90/71/04/569907104.db2.gz AXQUVRUGDUPSEG-LJQANCHMSA-N 0 0 458.624 4.711 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223315078 569907173 /nfs/dbraw/zinc/90/71/73/569907173.db2.gz XCUUHFLRGAKKNR-KCWPFWIISA-N 0 0 458.602 4.929 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000223318567 569907357 /nfs/dbraw/zinc/90/73/57/569907357.db2.gz OJDFFRTVRDZDRS-YUXAGFNASA-N 0 0 483.435 4.786 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1F ZINC000223327581 569907624 /nfs/dbraw/zinc/90/76/24/569907624.db2.gz XAWPQASHZPKYNQ-HNNXBMFYSA-N 0 0 455.357 4.845 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000223342852 569907985 /nfs/dbraw/zinc/90/79/85/569907985.db2.gz AHKFYMONPDATPB-UYRXBGFRSA-N 0 0 456.951 4.506 40 0 JJABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000223344228 569908038 /nfs/dbraw/zinc/90/80/38/569908038.db2.gz HZYWMXVNSUXQQA-NDEPHWFRSA-N 0 0 474.601 4.933 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223359145 569908599 /nfs/dbraw/zinc/90/85/99/569908599.db2.gz YQRRESUUFRQUTM-IBGZPJMESA-N 0 0 476.639 4.558 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000223361883 569908780 /nfs/dbraw/zinc/90/87/80/569908780.db2.gz BWSOJLJXRGVAGT-MBSDFSHPSA-N 0 0 476.639 4.558 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223369044 569909153 /nfs/dbraw/zinc/90/91/53/569909153.db2.gz GQRLRHJWAZWHIT-XZOQPEGZSA-N 0 0 459.527 4.894 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000223373917 569909239 /nfs/dbraw/zinc/90/92/39/569909239.db2.gz MMPKRQJBXYBZOR-HNNXBMFYSA-N 0 0 455.357 4.845 40 0 JJABRN CCCn1c2ccc(S(=O)(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)cc2sc1=O ZINC000223391041 569909646 /nfs/dbraw/zinc/90/96/46/569909646.db2.gz UIARQJVHVPKDGS-INIZCTEOSA-N 0 0 462.637 4.953 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223400524 569909934 /nfs/dbraw/zinc/90/99/34/569909934.db2.gz NIQWYMFXQLWMGT-FQEVSTJZSA-N 0 0 458.986 4.723 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223400580 569909935 /nfs/dbraw/zinc/90/99/35/569909935.db2.gz NIQWYMFXQLWMGT-HXUWFJFHSA-N 0 0 458.986 4.723 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000223405967 569910122 /nfs/dbraw/zinc/91/01/22/569910122.db2.gz WNCOEGKDPZUXLW-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223406440 569910161 /nfs/dbraw/zinc/91/01/61/569910161.db2.gz MXYPAIZREYUYOU-LOSJGSFVSA-N 0 0 468.582 4.832 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223423559 569910843 /nfs/dbraw/zinc/91/08/43/569910843.db2.gz KPYIIOBFUSUZSX-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223425229 569910889 /nfs/dbraw/zinc/91/08/89/569910889.db2.gz PLBYFVLMISPCLG-AREMUKBSSA-N 0 0 464.993 4.541 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223425425 569910894 /nfs/dbraw/zinc/91/08/94/569910894.db2.gz LQUHGYXWHJLECT-SFHVURJKSA-N 0 0 463.043 4.915 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1C ZINC000223424682 569910902 /nfs/dbraw/zinc/91/09/02/569910902.db2.gz CNRUYCDSUSEEBB-HXUWFJFHSA-N 0 0 454.567 4.824 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223445483 569911612 /nfs/dbraw/zinc/91/16/12/569911612.db2.gz AYOQRWJWCYPTPK-VWLOTQADSA-N 0 0 492.591 4.552 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(Cl)c1 ZINC000223451073 569911728 /nfs/dbraw/zinc/91/17/28/569911728.db2.gz RNFWHDBFPGYDIH-XMMPIXPASA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223454256 569911874 /nfs/dbraw/zinc/91/18/74/569911874.db2.gz IIQJVLMVYDCFTD-DEOSSOPVSA-N 0 0 468.956 4.634 40 0 JJABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000223455197 569911877 /nfs/dbraw/zinc/91/18/77/569911877.db2.gz FRHMDVJMSLVLLD-WOJBJXKFSA-N 0 0 470.994 4.608 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C)ccc2O1)c1ccc(OC)c(C)c1 ZINC000223455656 569911934 /nfs/dbraw/zinc/91/19/34/569911934.db2.gz XRRPEMLZXIINCY-GJZUVCINSA-N 0 0 494.613 4.536 40 0 JJABRN COc1ccccc1N(CCCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)S(C)(=O)=O ZINC000223465851 569912233 /nfs/dbraw/zinc/91/22/33/569912233.db2.gz JKGGIYXJAAMCPS-OAQYLSRUSA-N 0 0 486.634 4.584 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000223474083 569912545 /nfs/dbraw/zinc/91/25/45/569912545.db2.gz VGGXGBSMTLTOLQ-LJQANCHMSA-N 0 0 460.665 4.612 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000223477177 569912616 /nfs/dbraw/zinc/91/26/16/569912616.db2.gz OTQUVTVLIMXQQE-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223476469 569912653 /nfs/dbraw/zinc/91/26/53/569912653.db2.gz OYZDKLISYDDLTC-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 ZINC000223482166 569912823 /nfs/dbraw/zinc/91/28/23/569912823.db2.gz REFUDZHFIYBSTB-DNQXCXABSA-N 0 0 470.554 4.696 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223483007 569912875 /nfs/dbraw/zinc/91/28/75/569912875.db2.gz SWUUUWGKAWZBPO-PXNSSMCTSA-N 0 0 467.031 4.696 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223499247 569913701 /nfs/dbraw/zinc/91/37/01/569913701.db2.gz ZASGBRPGLVKOCZ-UHFFFAOYSA-N 0 0 453.391 4.805 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1OC ZINC000223486519 569913082 /nfs/dbraw/zinc/91/30/82/569913082.db2.gz LBAVQEKFMAMXIN-HHHXNRCGSA-N 0 0 492.591 4.928 40 0 JJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223491237 569913272 /nfs/dbraw/zinc/91/32/72/569913272.db2.gz DFZZDZWBWWMVTQ-OAQYLSRUSA-N 0 0 483.406 4.577 40 0 JJABRN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223492233 569913332 /nfs/dbraw/zinc/91/33/32/569913332.db2.gz LCORZUABTZCTLW-HHHXNRCGSA-N 0 0 462.565 4.681 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCC1CCCCC1 ZINC000223496783 569913539 /nfs/dbraw/zinc/91/35/39/569913539.db2.gz DAFPLPJJYPPHQG-UHFFFAOYSA-N 0 0 454.514 4.597 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223500544 569913732 /nfs/dbraw/zinc/91/37/32/569913732.db2.gz QDYIVSXCXLNXPU-IBGZPJMESA-N 0 0 461.002 4.841 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223499853 569913749 /nfs/dbraw/zinc/91/37/49/569913749.db2.gz PLYDCPIUAXZXNP-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223503774 569913845 /nfs/dbraw/zinc/91/38/45/569913845.db2.gz OJEMKAYGZBIVAV-UHFFFAOYSA-N 0 0 460.530 4.912 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506459 569913873 /nfs/dbraw/zinc/91/38/73/569913873.db2.gz WUCXAUWVEMUQFQ-LOSJGSFVSA-N 0 0 454.603 4.506 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506518 569913891 /nfs/dbraw/zinc/91/38/91/569913891.db2.gz WUCXAUWVEMUQFQ-DQEYMECFSA-N 0 0 454.603 4.506 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223506896 569913925 /nfs/dbraw/zinc/91/39/25/569913925.db2.gz MZOKKRRWHNIXHY-OAQYLSRUSA-N 0 0 484.637 4.759 40 0 JJABRN CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508901 569913940 /nfs/dbraw/zinc/91/39/40/569913940.db2.gz JKUCQUOZNLIROF-LOSJGSFVSA-N 0 0 455.587 4.839 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1C ZINC000223511887 569914094 /nfs/dbraw/zinc/91/40/94/569914094.db2.gz OEGLXZJDGIPQBC-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN COc1ccccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223512009 569914102 /nfs/dbraw/zinc/91/41/02/569914102.db2.gz 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CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223533790 569914860 /nfs/dbraw/zinc/91/48/60/569914860.db2.gz ZOPPFHZBBASCOQ-UHFFFAOYSA-N 0 0 492.572 4.754 40 0 JJABRN Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1NS(=O)(=O)c1ccccc1 ZINC000223534800 569914910 /nfs/dbraw/zinc/91/49/10/569914910.db2.gz WBTAICZHQKHHOL-UHFFFAOYSA-N 0 0 460.555 4.758 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc2)cc1 ZINC000223540442 569915261 /nfs/dbraw/zinc/91/52/61/569915261.db2.gz YIFWAEKSYCAPMA-UHFFFAOYSA-N 0 0 471.582 4.815 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccccc2C)cc1 ZINC000223542689 569915363 /nfs/dbraw/zinc/91/53/63/569915363.db2.gz CFOAIIVIAUVKNL-UHFFFAOYSA-N 0 0 494.657 4.991 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223547085 569915493 /nfs/dbraw/zinc/91/54/93/569915493.db2.gz RPWQXQIKBXIETH-HXUWFJFHSA-N 0 0 489.454 4.821 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000223552109 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MNCMDITVCBJMAN-NRFANRHFSA-N 0 0 495.428 4.886 40 0 JJABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566380 569916335 /nfs/dbraw/zinc/91/63/35/569916335.db2.gz UIVFXSLGCSPYDN-RUZDIDTESA-N 0 0 450.966 4.797 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000223571640 569916458 /nfs/dbraw/zinc/91/64/58/569916458.db2.gz FHLKNQPGQFMWKI-UHFFFAOYSA-N 0 0 479.440 4.649 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223573966 569916534 /nfs/dbraw/zinc/91/65/34/569916534.db2.gz YKVXJMDVWSVEFB-GDLZYMKVSA-N 0 0 495.579 4.556 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1NC(=O)C(C)C ZINC000223576521 569916584 /nfs/dbraw/zinc/91/65/84/569916584.db2.gz KGQKTQSZHTWDLY-UHFFFAOYSA-N 0 0 458.605 4.514 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c(Cl)c1Cl ZINC000223577400 569916662 /nfs/dbraw/zinc/91/66/62/569916662.db2.gz SVIYRZMRVKOCFS-UHFFFAOYSA-N 0 0 470.378 4.996 40 0 JJABRN CCOc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223576933 569916669 /nfs/dbraw/zinc/91/66/69/569916669.db2.gz GMVZHHMTRFLWCT-OAQYLSRUSA-N 0 0 466.603 4.509 40 0 JJABRN CCOc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223579202 569916713 /nfs/dbraw/zinc/91/67/13/569916713.db2.gz DJWAOBJARPNXET-OAQYLSRUSA-N 0 0 466.603 4.509 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc2ccccc2c1Br ZINC000223581597 569916802 /nfs/dbraw/zinc/91/68/02/569916802.db2.gz ANARSQAEGONLED-GOSISDBHSA-N 0 0 483.406 4.843 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223583262 569916879 /nfs/dbraw/zinc/91/68/79/569916879.db2.gz IEEYPYZBLNRPAB-FQEVSTJZSA-N 0 0 476.639 4.540 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Br ZINC000223585254 569916981 /nfs/dbraw/zinc/91/69/81/569916981.db2.gz RIKZCSLRXWBJAP-UHFFFAOYSA-N 0 0 494.411 4.626 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C 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ZINC000223670935 569919582 /nfs/dbraw/zinc/91/95/82/569919582.db2.gz OZLRYUFGEHNJBX-QFIPXVFZSA-N 0 0 460.615 4.790 40 0 JJABRN COC(=O)c1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl ZINC000223672832 569919613 /nfs/dbraw/zinc/91/96/13/569919613.db2.gz LSBLHDVCZRALHA-UHFFFAOYSA-N 0 0 468.811 4.645 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)(C)C)c2ccc(F)cc2)cc1 ZINC000223676810 569919738 /nfs/dbraw/zinc/91/97/38/569919738.db2.gz HCNLEDQZDBIUCW-UHFFFAOYSA-N 0 0 498.620 4.822 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223679518 569919771 /nfs/dbraw/zinc/91/97/71/569919771.db2.gz NQXQYUYZIOFOGZ-DEOSSOPVSA-N 0 0 471.601 4.832 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000223684789 569919898 /nfs/dbraw/zinc/91/98/98/569919898.db2.gz GIIJYKAXQJPKIL-VXKWHMMOSA-N 0 0 453.589 4.670 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000223685059 569919906 /nfs/dbraw/zinc/91/99/06/569919906.db2.gz ZSPCRWPRRRENQQ-UHFFFAOYSA-N 0 0 480.630 4.759 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1Cl ZINC000223686053 569919940 /nfs/dbraw/zinc/91/99/40/569919940.db2.gz JFMUKAPNYPZGCO-UHFFFAOYSA-N 0 0 458.923 4.653 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223687320 569919951 /nfs/dbraw/zinc/91/99/51/569919951.db2.gz RGDLXWKCTCCRGX-VWLOTQADSA-N 0 0 454.611 4.886 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223687949 569919989 /nfs/dbraw/zinc/91/99/89/569919989.db2.gz HGQCWTNESAAFJM-UHFFFAOYSA-N 0 0 484.593 4.514 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)cc1 ZINC000223688739 569919994 /nfs/dbraw/zinc/91/99/94/569919994.db2.gz COOKHXOGJDDHHT-UHFFFAOYSA-N 0 0 496.629 4.627 40 0 JJABRN C[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223693366 569920186 /nfs/dbraw/zinc/92/01/86/569920186.db2.gz UOPRNPLYXWRVAX-OAHLLOKOSA-N 0 0 487.449 4.641 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000223693428 569920234 /nfs/dbraw/zinc/92/02/34/569920234.db2.gz SOLFJQPVJYNZQQ-UHFFFAOYSA-N 0 0 487.581 4.869 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223697214 569920310 /nfs/dbraw/zinc/92/03/10/569920310.db2.gz SXPPTCCZWJOLLL-UHFFFAOYSA-N 0 0 472.651 4.666 40 0 JJABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000223704906 569920550 /nfs/dbraw/zinc/92/05/50/569920550.db2.gz NZSDBQNBOXLHDW-YADHBBJMSA-N 0 0 455.967 4.839 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000223705071 569920587 /nfs/dbraw/zinc/92/05/87/569920587.db2.gz WNWVORBONQBVHB-CPJSRVTESA-N 0 0 480.555 4.898 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 ZINC000223705219 569920595 /nfs/dbraw/zinc/92/05/95/569920595.db2.gz FVWDCORWEHVZNJ-RXFWQSSRSA-N 0 0 480.555 4.898 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223713991 569920904 /nfs/dbraw/zinc/92/09/04/569920904.db2.gz PHPPXEGQAVZDRE-MRXNPFEDSA-N 0 0 481.818 4.652 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223733866 569921547 /nfs/dbraw/zinc/92/15/47/569921547.db2.gz MUAZJKRWCGLOMB-QFIPXVFZSA-N 0 0 475.427 4.860 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223735185 569921576 /nfs/dbraw/zinc/92/15/76/569921576.db2.gz WLWKIPKWXWFRCI-YADHBBJMSA-N 0 0 453.589 4.752 40 0 JJABRN Cc1ccc(CN(C)C(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 ZINC000223736771 569921603 /nfs/dbraw/zinc/92/16/03/569921603.db2.gz KMNLEYXVCAHEIV-UHFFFAOYSA-N 0 0 450.604 4.850 40 0 JJABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCC(=O)OC)o2)cc1 ZINC000223736901 569921608 /nfs/dbraw/zinc/92/16/08/569921608.db2.gz VBGZEVLYZFFHKN-RPWUZVMVSA-N 0 0 465.575 4.666 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1NC(=O)C(C)C ZINC000223738688 569921733 /nfs/dbraw/zinc/92/17/33/569921733.db2.gz UJCDCKVMNYPQCJ-UHFFFAOYSA-N 0 0 464.653 4.658 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223742614 569921831 /nfs/dbraw/zinc/92/18/31/569921831.db2.gz FVLIJYFAODJBML-RPBOFIJWSA-N 0 0 462.619 4.723 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1OCC ZINC000223748797 569922014 /nfs/dbraw/zinc/92/20/14/569922014.db2.gz CQMWSXBZQZAJFM-NRFANRHFSA-N 0 0 466.622 4.893 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000223749344 569922029 /nfs/dbraw/zinc/92/20/29/569922029.db2.gz KQJAWDSBQGAKFN-UHFFFAOYSA-N 0 0 477.413 4.932 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(=O)(=O)c1ccccc1 ZINC000223749621 569922034 /nfs/dbraw/zinc/92/20/34/569922034.db2.gz AFJYGVGPDOOFJM-UHFFFAOYSA-N 0 0 466.603 4.509 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccc(F)cc2)cc1 ZINC000223754815 569922246 /nfs/dbraw/zinc/92/22/46/569922246.db2.gz DQVSSYZHCMYWIZ-UHFFFAOYSA-N 0 0 484.593 4.648 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223757517 569922274 /nfs/dbraw/zinc/92/22/74/569922274.db2.gz POJGQPFLPSVKMW-INIZCTEOSA-N 0 0 481.818 4.652 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223757453 569922277 /nfs/dbraw/zinc/92/22/77/569922277.db2.gz POJGQPFLPSVKMW-MRXNPFEDSA-N 0 0 481.818 4.652 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCOc2ccccc2Cl)cc1 ZINC000223759222 569922309 /nfs/dbraw/zinc/92/23/09/569922309.db2.gz GODQMNRCMVTRMC-UHFFFAOYSA-N 0 0 493.412 4.768 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C(C)C)c2ccc(C)cc2)cc1 ZINC000223760084 569922367 /nfs/dbraw/zinc/92/23/67/569922367.db2.gz HYWWMBYZDQPRFL-UHFFFAOYSA-N 0 0 496.629 4.518 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000223761075 569922422 /nfs/dbraw/zinc/92/24/22/569922422.db2.gz QXXQAINQVFAPFP-HHHXNRCGSA-N 0 0 458.602 4.712 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223760936 569922444 /nfs/dbraw/zinc/92/24/44/569922444.db2.gz YORIFIJQWHVVPJ-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccccc1 ZINC000223762658 569922470 /nfs/dbraw/zinc/92/24/70/569922470.db2.gz SISYXIMJUYIHBQ-HHHXNRCGSA-N 0 0 474.601 4.630 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223773762 569922896 /nfs/dbraw/zinc/92/28/96/569922896.db2.gz BOLJDLXTCSOPFK-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)C ZINC000223776348 569922995 /nfs/dbraw/zinc/92/29/95/569922995.db2.gz XCDZCHZIVURVQW-HHHXNRCGSA-N 0 0 488.628 4.974 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223778913 569923005 /nfs/dbraw/zinc/92/30/05/569923005.db2.gz GIKQXGSQPNXVAW-CQSZACIVSA-N 0 0 457.785 4.969 40 0 JJABRN Cc1ccccc1CN(C(=O)COc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000223779958 569923048 /nfs/dbraw/zinc/92/30/48/569923048.db2.gz JQCUUGMVHGHUMT-SFHVURJKSA-N 0 0 473.411 4.612 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)cc1 ZINC000223782410 569923113 /nfs/dbraw/zinc/92/31/13/569923113.db2.gz NGCLXFKLVISOQT-DQEYMECFSA-N 0 0 484.581 4.845 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1 ZINC000223782167 569923137 /nfs/dbraw/zinc/92/31/37/569923137.db2.gz KTWQGWILTKFDGG-DQEYMECFSA-N 0 0 484.581 4.845 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223791317 569923439 /nfs/dbraw/zinc/92/34/39/569923439.db2.gz PJACSFYVWFCTCT-RPBOFIJWSA-N 0 0 455.587 4.902 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223794471 569923588 /nfs/dbraw/zinc/92/35/88/569923588.db2.gz KUPWTNJXBILQTR-FQEVSTJZSA-N 0 0 454.636 4.713 40 0 JJABRN Cc1ccc([C@@H](NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000223796148 569923642 /nfs/dbraw/zinc/92/36/42/569923642.db2.gz DKESUZBCXUFBDN-SANMLTNESA-N 0 0 450.604 4.755 40 0 JJABRN Cc1ccc([C@H](NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000223796203 569923657 /nfs/dbraw/zinc/92/36/57/569923657.db2.gz DKESUZBCXUFBDN-AREMUKBSSA-N 0 0 450.604 4.755 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223805212 569923851 /nfs/dbraw/zinc/92/38/51/569923851.db2.gz SDICOPXHKRKCDI-OAQYLSRUSA-N 0 0 452.595 4.639 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223808565 569924006 /nfs/dbraw/zinc/92/40/06/569924006.db2.gz RWYQOMMUBRJIPL-OAQYLSRUSA-N 0 0 458.986 4.725 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223821551 569924292 /nfs/dbraw/zinc/92/42/92/569924292.db2.gz LBJZTYKDEKLLFS-MRXNPFEDSA-N 0 0 487.369 4.674 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000223823007 569924323 /nfs/dbraw/zinc/92/43/23/569924323.db2.gz PURVINRHOGHKPQ-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223821581 569924334 /nfs/dbraw/zinc/92/43/34/569924334.db2.gz LBJZTYKDEKLLFS-INIZCTEOSA-N 0 0 487.369 4.674 40 0 JJABRN CCOC(=O)c1c(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)sc2c1CCCC2 ZINC000223824151 569924363 /nfs/dbraw/zinc/92/43/63/569924363.db2.gz GMVKOKHIPPMSMK-UHFFFAOYSA-N 0 0 492.663 4.605 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccccc3C(C)C)c2)cc1 ZINC000223826199 569924401 /nfs/dbraw/zinc/92/44/01/569924401.db2.gz KPBGXXDMCFKSNP-UHFFFAOYSA-N 0 0 466.603 4.752 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223837410 569924782 /nfs/dbraw/zinc/92/47/82/569924782.db2.gz ARUOEXRXTIHLJG-SFHVURJKSA-N 0 0 467.031 4.877 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 ZINC000223844169 569924909 /nfs/dbraw/zinc/92/49/09/569924909.db2.gz LJKMACSRAXISOR-UHFFFAOYSA-N 0 0 480.630 4.723 40 0 JJABRN Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1I ZINC000223845873 569924929 /nfs/dbraw/zinc/92/49/29/569924929.db2.gz WFUSBOOBLXEJGR-MOPGFXCFSA-N 0 0 490.370 4.514 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000223845557 569924930 /nfs/dbraw/zinc/92/49/30/569924930.db2.gz HJSVTFALNUXAIC-UHFFFAOYSA-N 0 0 466.603 4.581 40 0 JJABRN Cc1ccc(CN(CC(=O)Nc2ccc(CSc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000223853443 569925178 /nfs/dbraw/zinc/92/51/78/569925178.db2.gz DQHMGAZADMOASG-UHFFFAOYSA-N 0 0 454.617 4.688 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223856803 569925233 /nfs/dbraw/zinc/92/52/33/569925233.db2.gz PXONGPFUUOVKOW-OAHLLOKOSA-N 0 0 484.383 4.660 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223856860 569925260 /nfs/dbraw/zinc/92/52/60/569925260.db2.gz PXONGPFUUOVKOW-HNNXBMFYSA-N 0 0 484.383 4.660 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223862514 569925467 /nfs/dbraw/zinc/92/54/67/569925467.db2.gz JHWAWNGDBBFSKJ-GOSISDBHSA-N 0 0 470.997 4.520 40 0 JJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223866845 569925636 /nfs/dbraw/zinc/92/56/36/569925636.db2.gz ZFDMSFOKDXMMRN-HNNXBMFYSA-N 0 0 467.368 4.987 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1Cl ZINC000223876317 569925880 /nfs/dbraw/zinc/92/58/80/569925880.db2.gz IOSGLURNNLKFSE-CQSZACIVSA-N 0 0 485.781 4.564 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223880100 569926054 /nfs/dbraw/zinc/92/60/54/569926054.db2.gz HOYMKWPRFSUTOK-DNQXCXABSA-N 0 0 470.554 4.542 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 ZINC000223880510 569926096 /nfs/dbraw/zinc/92/60/96/569926096.db2.gz MRELJOJDFDHKKB-ZEQRLZLVSA-N 0 0 470.554 4.542 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223880697 569926127 /nfs/dbraw/zinc/92/61/27/569926127.db2.gz NFMNGNGGXGRWJJ-BJKOFHAPSA-N 0 0 470.554 4.542 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000223900905 569926667 /nfs/dbraw/zinc/92/66/67/569926667.db2.gz UPCWDUBQRQRUCI-UHFFFAOYSA-N 0 0 460.530 4.912 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223900098 569926679 /nfs/dbraw/zinc/92/66/79/569926679.db2.gz WHOBFOGFTURGQI-OAHLLOKOSA-N 0 0 484.383 4.660 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223906899 569926869 /nfs/dbraw/zinc/92/68/69/569926869.db2.gz TWHUTDKFQOIUPV-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223909697 569926970 /nfs/dbraw/zinc/92/69/70/569926970.db2.gz DKBDUYOYJAMQEX-DQEYMECFSA-N 0 0 454.603 4.570 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223916482 569927156 /nfs/dbraw/zinc/92/71/56/569927156.db2.gz LZNCBZAVYHEWCM-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F 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570147026 /nfs/dbraw/zinc/14/70/26/570147026.db2.gz XFQWTNLDJNONOV-QFIPXVFZSA-N 0 0 459.565 4.726 40 0 JJABRN CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000257328444 570147093 /nfs/dbraw/zinc/14/70/93/570147093.db2.gz XFQWTNLDJNONOV-JOCHJYFZSA-N 0 0 459.565 4.726 40 0 JJABRN CCN(CC)C(=O)Cn1cc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000409146442 570147146 /nfs/dbraw/zinc/14/71/46/570147146.db2.gz STVVIVSPKIQMOD-OYKKKHCWSA-N 0 0 489.597 4.737 40 0 JJABRN Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257329150 570147211 /nfs/dbraw/zinc/14/72/11/570147211.db2.gz XISSVESOZSCLMS-OAQYLSRUSA-N 0 0 460.530 4.948 40 0 JJABRN CCN1C(=O)S[C@H](Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000409146702 570147310 /nfs/dbraw/zinc/14/73/10/570147310.db2.gz VOPLMQVVZFMSFW-QGZVFWFLSA-N 0 0 450.354 4.663 40 0 JJABRN Cc1ccc(Oc2nccnc2C2CCN(C(=O)c3cccc(N4CCOCC4)c3C)CC2)cc1 ZINC000257330351 570147741 /nfs/dbraw/zinc/14/77/41/570147741.db2.gz XNZPPOCUUBMASB-UHFFFAOYSA-N 0 0 472.589 4.742 40 0 JJABRN CCN1C(=O)S[C@H](Cc2cc(OC)c(OCc3ccc(F)cc3)cc2Br)C1=O ZINC000409147557 570147770 /nfs/dbraw/zinc/14/77/70/570147770.db2.gz YMTAUCUTJMTGOE-GOSISDBHSA-N 0 0 468.344 4.802 40 0 JJABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1 ZINC000257330985 570147846 /nfs/dbraw/zinc/14/78/46/570147846.db2.gz XQWWKPYJRYRENI-OAQYLSRUSA-N 0 0 465.941 4.983 40 0 JJABRN CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)NCc3cccs3)c3ccccc23)C1=O ZINC000409148005 570147922 /nfs/dbraw/zinc/14/79/22/570147922.db2.gz XQHFGXAKYDHWBJ-JMIUGGIZSA-N 0 0 453.589 4.712 40 0 JJABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)C(=O)c3cccs3)C2)n1 ZINC000257331183 570147960 /nfs/dbraw/zinc/14/79/60/570147960.db2.gz XRSROCKJWACQEE-INIZCTEOSA-N 0 0 454.983 4.513 40 0 JJABRN C[C@]12CCN(C(=O)c3cccc(Oc4ncccn4)c3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257332721 570148481 /nfs/dbraw/zinc/14/84/81/570148481.db2.gz XYJIYOSMBZPGRI-CUBQBAPOSA-N 0 0 470.573 4.845 40 0 JJABRN 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ZINC000257336439 570149424 /nfs/dbraw/zinc/14/94/24/570149424.db2.gz YOKBZFQOEMXQEI-QFIPXVFZSA-N 0 0 471.601 4.601 40 0 JJABRN COCCNc1nc(C2CCN(CC(=O)Nc3cc(C)ccc3F)CC2)cc2ccccc21 ZINC000257337382 570149731 /nfs/dbraw/zinc/14/97/31/570149731.db2.gz YSOQGSWFWOHZBN-UHFFFAOYSA-N 0 0 450.558 4.559 40 0 JJABRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1 ZINC000409153771 570149914 /nfs/dbraw/zinc/14/99/14/570149914.db2.gz MOXRNMDFJZRFHR-CXUHLZMHSA-N 0 0 463.378 4.846 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3O[C@@H](C)CC)C2=O)cc1 ZINC000409154498 570150090 /nfs/dbraw/zinc/15/00/90/570150090.db2.gz KECONPQZXSODBR-YIRPMMGJSA-N 0 0 454.548 4.938 40 0 JJABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(=O)[nH]c(-c4ccccc4)n3)o2)c1 ZINC000257339263 570150234 /nfs/dbraw/zinc/15/02/34/570150234.db2.gz ZAZDJNQAJPGVFQ-HSZRJFAPSA-N 0 0 470.529 4.804 40 0 JJABRN CC(=O)c1ccc(NC(=O)CN2CCC3(C[C@@H](Cc4cccc(F)c4)N(CC(C)C)C3=O)CC2)cc1 ZINC000257339552 570150291 /nfs/dbraw/zinc/15/02/91/570150291.db2.gz 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ZINC000409164140 570152864 /nfs/dbraw/zinc/15/28/64/570152864.db2.gz CYPPWNUCAOXSBZ-LSCVHKIXSA-N 0 0 470.348 4.914 40 0 JJABRN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000409164642 570152948 /nfs/dbraw/zinc/15/29/48/570152948.db2.gz LJZUUPRLQFYRBA-VCHYOVAHSA-N 0 0 470.348 4.914 40 0 JJABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O ZINC000409165247 570153145 /nfs/dbraw/zinc/15/31/45/570153145.db2.gz VEZJNRDPIYBLNX-CXUHLZMHSA-N 0 0 481.755 4.786 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409166500 570153447 /nfs/dbraw/zinc/15/34/47/570153447.db2.gz GLLIMFWWOKUTCT-UHFFFAOYSA-N 0 0 454.617 4.651 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409167914 570153903 /nfs/dbraw/zinc/15/39/03/570153903.db2.gz OZFBJHQSVOXFCV-LICLKQGHSA-N 0 0 479.758 4.993 40 0 JJABRN Cc1ccc(S[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](OC(=O)c3ccccc3)[C@@H]2O)cc1 ZINC000258840307 570154121 /nfs/dbraw/zinc/15/41/21/570154121.db2.gz ZVRDTXBOMFWMDI-OVIUEIEUSA-N 0 0 478.566 4.513 40 0 JJABRN CCc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2CC)cc1 ZINC000409168682 570154171 /nfs/dbraw/zinc/15/41/71/570154171.db2.gz OFDBSUXHYASNKC-JOCHJYFZSA-N 0 0 465.623 4.718 40 0 JJABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)c(C(=O)OC)c4)C3=O)c[nH]c21 ZINC000409168713 570154200 /nfs/dbraw/zinc/15/42/00/570154200.db2.gz NDTAUDBMFJDXEY-OCKHKDLRSA-N 0 0 497.960 4.845 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O)Nc1ccc(F)cc1 ZINC000409169365 570154441 /nfs/dbraw/zinc/15/44/41/570154441.db2.gz PTEBVCAOUPXGFT-XQNSMLJCSA-N 0 0 492.528 4.959 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000260575632 570154540 /nfs/dbraw/zinc/15/45/40/570154540.db2.gz CYXBAHXHDGKTGR-UXHICEINSA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000260575613 570154596 /nfs/dbraw/zinc/15/45/96/570154596.db2.gz CVJKBWDMUJGICH-UXHICEINSA-N 0 0 493.069 4.942 40 0 JJABRN C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 ZINC000260707947 570154799 /nfs/dbraw/zinc/15/47/99/570154799.db2.gz COQASFAXMIETBY-ROUUACIJSA-N 0 0 456.635 4.717 40 0 JJABRN O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1c(Cl)cccc1Cl ZINC000409171855 570155210 /nfs/dbraw/zinc/15/52/10/570155210.db2.gz CCLMHOPFZWAJNI-VAWYXSNFSA-N 0 0 451.331 4.717 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2cccc(Cl)c2)cc1 ZINC000409172189 570155303 /nfs/dbraw/zinc/15/53/03/570155303.db2.gz CTSGWBFNDIHZPF-UHFFFAOYSA-N 0 0 462.999 4.551 40 0 JJABRN CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409172829 570155453 /nfs/dbraw/zinc/15/54/53/570155453.db2.gz LSKHSWNYKROGSB-LICLKQGHSA-N 0 0 479.758 4.993 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409172732 570155521 /nfs/dbraw/zinc/15/55/21/570155521.db2.gz HNKHIRXNAJDXGN-UHFFFAOYSA-N 0 0 462.930 4.712 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C ZINC000409172547 570155523 /nfs/dbraw/zinc/15/55/23/570155523.db2.gz KOPIERBYHCJBRE-JOCHJYFZSA-N 0 0 465.623 4.773 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)C2CCCCC2)cc1Cl ZINC000260728482 570155539 /nfs/dbraw/zinc/15/55/39/570155539.db2.gz BSAYNNRVDLKHEX-QGZVFWFLSA-N 0 0 477.026 4.650 40 0 JJABRN COC(=O)c1cc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)ccc1Cl ZINC000409173473 570155805 /nfs/dbraw/zinc/15/58/05/570155805.db2.gz NUKXQXBUUPKEMM-UHFFFAOYSA-N 0 0 476.268 4.648 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 ZINC000409173602 570155887 /nfs/dbraw/zinc/15/58/87/570155887.db2.gz MEVKUQFMQVADEE-HYARGMPZSA-N 0 0 461.905 4.763 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)C2)cc1Cl ZINC000260740086 570155920 /nfs/dbraw/zinc/15/59/20/570155920.db2.gz LGPRUYGVBZSZCA-WBVHZDCISA-N 0 0 485.433 4.670 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)c2ccccc2)cc1 ZINC000260743723 570156124 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475.726 4.796 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000260790623 570158108 /nfs/dbraw/zinc/15/81/08/570158108.db2.gz IPMLDZWBRVPWPS-NRFANRHFSA-N 0 0 466.603 4.509 40 0 JJABRN CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000409178918 570158145 /nfs/dbraw/zinc/15/81/45/570158145.db2.gz KIGBGEDBGQYVFL-UHFFFAOYSA-N 0 0 462.921 4.864 40 0 JJABRN CCOc1ccccc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000260793402 570158281 /nfs/dbraw/zinc/15/82/81/570158281.db2.gz PCRQSHQCNBHTPQ-FQEVSTJZSA-N 0 0 498.670 4.922 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000260796038 570158359 /nfs/dbraw/zinc/15/83/59/570158359.db2.gz QYVHPOUUKTUAMP-IBGZPJMESA-N 0 0 456.995 4.764 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000260805409 570158776 /nfs/dbraw/zinc/15/87/76/570158776.db2.gz CNTLIBTXYHUHBO-HXUWFJFHSA-N 0 0 466.603 4.720 40 0 JJABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3F)c(OCC)c2)N2NC=NC2=N1 ZINC000409180382 570158868 /nfs/dbraw/zinc/15/88/68/570158868.db2.gz WTCQUSHCSNWFMR-DEOSSOPVSA-N 0 0 480.540 4.680 40 0 JJABRN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccccc1Cl ZINC000409180903 570159054 /nfs/dbraw/zinc/15/90/54/570159054.db2.gz UGBSJDVTSMSALA-UHFFFAOYSA-N 0 0 484.291 4.842 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)Cc2ccc(Cl)cc2)cc1 ZINC000260825511 570159353 /nfs/dbraw/zinc/15/93/53/570159353.db2.gz HBPGMAWDVHWCGT-LJQANCHMSA-N 0 0 469.006 4.817 40 0 JJABRN C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000260830825 570159523 /nfs/dbraw/zinc/15/95/23/570159523.db2.gz IGYFNYMPKPPSPY-CCLHPLFOSA-N 0 0 490.625 4.540 40 0 JJABRN Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)CCc2ccccc2)c1 ZINC000260830876 570159534 /nfs/dbraw/zinc/15/95/34/570159534.db2.gz UWIDGJYAXNJOQK-XMMPIXPASA-N 0 0 478.658 4.674 40 0 JJABRN CCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000409181973 570159676 /nfs/dbraw/zinc/15/96/76/570159676.db2.gz HEOOCJLNOOLKOU-UHFFFAOYSA-N 0 0 473.525 4.921 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)S(C)(=O)=O)c1 ZINC000260834577 570159798 /nfs/dbraw/zinc/15/97/98/570159798.db2.gz NDERVCCLZIMYGJ-HXUWFJFHSA-N 0 0 494.613 4.532 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc4ccccc4c3)Oc3cc(C)ccc32)cc1 ZINC000260836554 570159837 /nfs/dbraw/zinc/15/98/37/570159837.db2.gz QUMLGGQTHIVDNL-HHHXNRCGSA-N 0 0 486.593 4.729 40 0 JJABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000409182407 570159887 /nfs/dbraw/zinc/15/98/87/570159887.db2.gz LQRZYAHPLHGQQM-UHFFFAOYSA-N 0 0 495.915 4.874 40 0 JJABRN CCOc1ccc(N(CCCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000260839117 570159913 /nfs/dbraw/zinc/15/99/13/570159913.db2.gz IMVMMQKPJPHYFN-QHCPKHFHSA-N 0 0 488.650 4.830 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc4ccccc43)Oc3cc(C)ccc32)cc1 ZINC000260840478 570160044 /nfs/dbraw/zinc/16/00/44/570160044.db2.gz VKXZGNMAUDLAPL-HHHXNRCGSA-N 0 0 486.593 4.729 40 0 JJABRN CC[C@@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260845740 570160459 /nfs/dbraw/zinc/16/04/59/570160459.db2.gz XHVKMIBVHPZPFG-SFTDATJTSA-N 0 0 462.587 4.569 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O ZINC000260845715 570160470 /nfs/dbraw/zinc/16/04/70/570160470.db2.gz WZEQFGVDPOMFCY-CQSZACIVSA-N 0 0 497.067 4.585 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409184651 570160535 /nfs/dbraw/zinc/16/05/35/570160535.db2.gz YOAFVGPOYFIOIT-DHDCSXOGSA-N 0 0 498.729 4.620 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2O1 ZINC000260853239 570160907 /nfs/dbraw/zinc/16/09/07/570160907.db2.gz WCSOJBCUHZOZNW-HYBUGGRVSA-N 0 0 458.624 4.592 40 0 JJABRN Cc1ccc(COc2c(Br)cc(/C=C3/NC(=O)N(C)C3=O)cc2Br)cc1 ZINC000409188380 570161134 /nfs/dbraw/zinc/16/11/34/570161134.db2.gz HAWAKYJTMFGWPA-CXUHLZMHSA-N 0 0 480.156 4.622 40 0 JJABRN COc1ccc(C2=N/C(=C\c3ccc(OC(=O)/C=C/c4ccccc4)c(OC)c3)C(=O)O2)cc1 ZINC000409190694 570161844 /nfs/dbraw/zinc/16/18/44/570161844.db2.gz VFYSMSVROZJQCS-SWWYLKJPSA-N 0 0 455.466 4.667 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](c3ccccc3)c3cccc(C)c3)C2)cc1 ZINC000260890474 570161969 /nfs/dbraw/zinc/16/19/69/570161969.db2.gz DJNJCMZRDCRWNM-AZGAKELHSA-N 0 0 462.615 4.610 40 0 JJABRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409192519 570162433 /nfs/dbraw/zinc/16/24/33/570162433.db2.gz DQSPCGJHCXSHMK-VIZOYTHASA-N 0 0 486.149 4.866 40 0 JJABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N[C@H](C)C(C)C)cc1 ZINC000260897276 570162455 /nfs/dbraw/zinc/16/24/55/570162455.db2.gz KNUJGPBFAQOYCJ-HXUWFJFHSA-N 0 0 466.603 4.865 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000409194877 570163209 /nfs/dbraw/zinc/16/32/09/570163209.db2.gz DQQHKYPHFDAFFE-FYJGNVAPSA-N 0 0 461.445 4.797 40 0 JJABRN Cc1ccc2c(c1)O[C@@H](C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CN2S(=O)(=O)c1ccccc1 ZINC000260912098 570163408 /nfs/dbraw/zinc/16/34/08/570163408.db2.gz AHILIFZNDKSDEY-NFQMXDRXSA-N 0 0 490.625 4.708 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccccc2)cc1C ZINC000260912544 570163512 /nfs/dbraw/zinc/16/35/12/570163512.db2.gz BBINNGVCUFSEDZ-OAQYLSRUSA-N 0 0 462.615 4.865 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000260913137 570163685 /nfs/dbraw/zinc/16/36/85/570163685.db2.gz ZXFIPBLPAHOWCO-WMZHIEFXSA-N 0 0 479.042 4.653 40 0 JJABRN NC(=O)C1CCN(C(=S)c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)CC1 ZINC000409196405 570163719 /nfs/dbraw/zinc/16/37/19/570163719.db2.gz UPFJFNFZTQCAJC-UHFFFAOYSA-N 0 0 490.854 4.978 40 0 JJABRN C[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000260914828 570163773 /nfs/dbraw/zinc/16/37/73/570163773.db2.gz BQZZHJGSBILBJC-KGLIPLIRSA-N 0 0 455.407 4.514 40 0 JJABRN CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000260915098 570163788 /nfs/dbraw/zinc/16/37/88/570163788.db2.gz CMAKCCIVCDKUFO-HXOBKFHXSA-N 0 0 463.043 4.949 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2ccc(F)cc2)cc1 ZINC000260917525 570163956 /nfs/dbraw/zinc/16/39/56/570163956.db2.gz DSTUXTKOCGBVGK-LJQANCHMSA-N 0 0 466.578 4.696 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 ZINC000260919929 570164214 /nfs/dbraw/zinc/16/42/14/570164214.db2.gz DXKVEWDXBNEYPJ-HXUWFJFHSA-N 0 0 478.614 4.647 40 0 JJABRN CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000260922504 570164403 /nfs/dbraw/zinc/16/44/03/570164403.db2.gz GXKBMTZODAMLDR-LOSJGSFVSA-N 0 0 472.651 4.776 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924580 570164561 /nfs/dbraw/zinc/16/45/61/570164561.db2.gz IPPGBGFFOFAOKL-RRPNLBNLSA-N 0 0 482.690 4.807 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc2c(c1)CCCC2 ZINC000260924582 570164583 /nfs/dbraw/zinc/16/45/83/570164583.db2.gz IPPGBGFFOFAOKL-SVBPBHIXSA-N 0 0 482.690 4.807 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000260926430 570164641 /nfs/dbraw/zinc/16/46/41/570164641.db2.gz IVZJDRXDYSSTIR-HXUWFJFHSA-N 0 0 478.614 4.647 40 0 JJABRN CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc2c(c1)CCCC2 ZINC000260935060 570165233 /nfs/dbraw/zinc/16/52/33/570165233.db2.gz OLDAFFHHABHYMP-SHQCIBLASA-N 0 0 490.625 4.789 40 0 JJABRN CCOc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000260939196 570165540 /nfs/dbraw/zinc/16/55/40/570165540.db2.gz QSPSFIBUFNZIAI-HXUWFJFHSA-N 0 0 490.666 4.949 40 0 JJABRN CCc1ccc(N(CCCC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 ZINC000260941244 570165688 /nfs/dbraw/zinc/16/56/88/570165688.db2.gz RWKSFFZQMCZFKK-RUZDIDTESA-N 0 0 456.652 4.942 40 0 JJABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260947491 570165944 /nfs/dbraw/zinc/16/59/44/570165944.db2.gz WBJRBNNVFHPTPF-ZCYQVOJMSA-N 0 0 454.636 4.542 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 ZINC000260949302 570165954 /nfs/dbraw/zinc/16/59/54/570165954.db2.gz WPZFBPRUEBBEFF-LJQANCHMSA-N 0 0 476.639 4.559 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1OC ZINC000260949309 570165968 /nfs/dbraw/zinc/16/59/68/570165968.db2.gz WRDUKVCAZJKQBT-HXUWFJFHSA-N 0 0 496.629 4.945 40 0 JJABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260951670 570166136 /nfs/dbraw/zinc/16/61/36/570166136.db2.gz YXXPZYMIRWHWDI-RPBOFIJWSA-N 0 0 456.652 4.994 40 0 JJABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)O2 ZINC000260953205 570166144 /nfs/dbraw/zinc/16/61/44/570166144.db2.gz ZFKWZFLWQXBDBK-RLWLMLJZSA-N 0 0 478.614 4.754 40 0 JJABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000260953202 570166192 /nfs/dbraw/zinc/16/61/92/570166192.db2.gz ZFADSTLBCFAQPY-SBUREZEXSA-N 0 0 463.043 4.949 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O ZINC000409203126 570166314 /nfs/dbraw/zinc/16/63/14/570166314.db2.gz WFVSROUOAVGNGG-LTGZKZEYSA-N 0 0 455.532 4.524 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000409203868 570166556 /nfs/dbraw/zinc/16/65/56/570166556.db2.gz YMRITGRARXFFBD-KGENOOAVSA-N 0 0 455.532 4.654 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362529 570167688 /nfs/dbraw/zinc/16/76/88/570167688.db2.gz KENVCMIBIAZRBK-LJQANCHMSA-O 0 0 474.404 4.860 40 0 JJABRN CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)O[C@H](C)CC)C1=O ZINC000409208323 570168127 /nfs/dbraw/zinc/16/81/27/570168127.db2.gz AQABLXOLVGPATD-HMHNVIDESA-N 0 0 456.358 4.616 40 0 JJABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OCC)c1 ZINC000261363870 570168193 /nfs/dbraw/zinc/16/81/93/570168193.db2.gz XXFQXRSCNZIAEI-HXUWFJFHSA-O 0 0 459.979 4.759 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OCC ZINC000261364100 570168360 /nfs/dbraw/zinc/16/83/60/570168360.db2.gz JGDHQYYHFNLBHT-DEOSSOPVSA-O 0 0 465.599 4.731 40 0 JJABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(SC)cc1 ZINC000261364111 570168423 /nfs/dbraw/zinc/16/84/23/570168423.db2.gz JILNWVGNSRQEOW-QFIPXVFZSA-O 0 0 453.613 4.664 40 0 JJABRN CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCC)cc1 ZINC000261364236 570168447 /nfs/dbraw/zinc/16/84/47/570168447.db2.gz KCOLGLDYBQWZDY-DEOSSOPVSA-O 0 0 465.599 4.731 40 0 JJABRN CCCOC(=O)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)ccc1Cl ZINC000409209148 570168631 /nfs/dbraw/zinc/16/86/31/570168631.db2.gz GBAWGSJWZBTLSK-UHFFFAOYSA-N 0 0 472.998 4.840 40 0 JJABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000261365261 570168831 /nfs/dbraw/zinc/16/88/31/570168831.db2.gz QZLPNXHXHOWPMD-SANMLTNESA-O 0 0 485.589 4.741 40 0 JJABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000261365031 570168965 /nfs/dbraw/zinc/16/89/65/570168965.db2.gz PNIXUJKWKLVQLD-RUZDIDTESA-O 0 0 471.562 4.954 40 0 JJABRN O=c1[n-]c(SCc2ccccc2F)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261365729 570169245 /nfs/dbraw/zinc/16/92/45/570169245.db2.gz UXONMKKSJNQGHY-NRFANRHFSA-O 0 0 467.933 4.900 40 0 JJABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2C(C)=Cc1ccccc1 ZINC000261366343 570169596 /nfs/dbraw/zinc/16/95/96/570169596.db2.gz YZJSWCCZYQFPLX-XSEIIIHRSA-O 0 0 498.426 4.980 40 0 JJABRN O=C(CN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O)Nc1ccccc1F ZINC000409210973 570169635 /nfs/dbraw/zinc/16/96/35/570169635.db2.gz MIAVWVDRVAHSQN-VCHYOVAHSA-N 0 0 474.275 4.924 40 0 JJABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409211162 570169802 /nfs/dbraw/zinc/16/98/02/570169802.db2.gz MJVVXNGZZQBDAA-NGZBARDMSA-N 0 0 473.522 4.791 40 0 JJABRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C1=O ZINC000409211266 570169891 /nfs/dbraw/zinc/16/98/91/570169891.db2.gz LITBHNYTMLPGON-SGEFVQMOSA-N 0 0 477.922 4.765 40 0 JJABRN CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3sc4c(c3C(=O)OC)CCC4)C2=O)cc1 ZINC000261527070 570170623 /nfs/dbraw/zinc/17/06/23/570170623.db2.gz YGBDNURISCFXIF-SFHVURJKSA-N 0 0 486.615 4.576 40 0 JJABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O ZINC000409213130 570170914 /nfs/dbraw/zinc/17/09/14/570170914.db2.gz SLSHDXQMCJRJKX-REIAIGDLSA-N 0 0 455.532 4.652 40 0 JJABRN COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000409214373 570171690 /nfs/dbraw/zinc/17/16/90/570171690.db2.gz XDBGZNBAIHZAPJ-ULJHMMPZSA-N 0 0 488.565 4.992 40 0 JJABRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)o1 ZINC000409215152 570171971 /nfs/dbraw/zinc/17/19/71/570171971.db2.gz XMFCRCRRMJSRQV-YBFXNURJSA-N 0 0 453.857 4.579 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)Nc1ccccc1N1CCOCC1 ZINC000409216235 570172615 /nfs/dbraw/zinc/17/26/15/570172615.db2.gz IYQVLCVZXUUORH-XDHOZWIPSA-N 0 0 492.384 4.505 40 0 JJABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O ZINC000409218005 570173450 /nfs/dbraw/zinc/17/34/50/570173450.db2.gz SAEUJEBPCOAZPD-CPNJWEJPSA-N 0 0 457.504 4.503 40 0 JJABRN COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000409220506 570174144 /nfs/dbraw/zinc/17/41/44/570174144.db2.gz AVCIYFXPSQXQGY-CXUHLZMHSA-N 0 0 480.156 4.622 40 0 JJABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O ZINC000409225607 570175888 /nfs/dbraw/zinc/17/58/88/570175888.db2.gz NEERBJSMDQMTLE-FRKPEAEDSA-N 0 0 499.745 4.925 40 0 JJABRN O=C(CN1C(=O)SC(=Cc2ccc(O)c(Br)c2)C1=O)c1ccc(Br)cc1 ZINC000409226816 570176052 /nfs/dbraw/zinc/17/60/52/570176052.db2.gz VYFAWTLDOJWINC-LZYBPNLTSA-N 0 0 497.164 4.836 40 0 JJABRN CCOc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409228218 570176599 /nfs/dbraw/zinc/17/65/99/570176599.db2.gz WBEMHTLTBZKFHD-LJQANCHMSA-N 0 0 452.576 4.696 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409229268 570177132 /nfs/dbraw/zinc/17/71/32/570177132.db2.gz MKCBPCMISWGZFK-MFKUBSTISA-N 0 0 496.542 4.923 40 0 JJABRN CCCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000409231852 570178038 /nfs/dbraw/zinc/17/80/38/570178038.db2.gz MWAPGMKCFFLNBE-UHFFFAOYSA-N 0 0 479.440 4.831 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306134447 570178430 /nfs/dbraw/zinc/17/84/30/570178430.db2.gz NNTKPVXAGDNDQQ-JOCHJYFZSA-N 0 0 458.949 4.895 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)c1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n2ccccc12 ZINC000306141332 570178668 /nfs/dbraw/zinc/17/86/68/570178668.db2.gz VSBYCFCOGMHZIH-OAQYLSRUSA-N 0 0 472.976 4.938 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O)Nc1ccccc1Cl ZINC000409234987 570179236 /nfs/dbraw/zinc/17/92/36/570179236.db2.gz AFTDQXSYEGSVSI-QGOAFFKASA-N 0 0 459.955 4.988 40 0 JJABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](C)CO)n2)cccc1C(F)(F)F ZINC000328958534 570179260 /nfs/dbraw/zinc/17/92/60/570179260.db2.gz APVAWPKVYCIORA-LBPRGKRZSA-N 0 0 486.416 4.750 40 0 JJABRN C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000328966306 570179717 /nfs/dbraw/zinc/17/97/17/570179717.db2.gz CLCJHPMLNJNGDY-LBPRGKRZSA-N 0 0 456.390 4.561 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Br)nc(NC3CC3)n2)c1 ZINC000328970738 570179935 /nfs/dbraw/zinc/17/99/35/570179935.db2.gz DLWHQJSDGLIQTE-UHFFFAOYSA-N 0 0 479.300 4.835 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000409237457 570180339 /nfs/dbraw/zinc/18/03/39/570180339.db2.gz WWDZJXZMSPSENT-UHFFFAOYSA-N 0 0 450.604 4.861 40 0 JJABRN CCNc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328984488 570180487 /nfs/dbraw/zinc/18/04/87/570180487.db2.gz HNDYJXOXTBNBCI-UHFFFAOYSA-N 0 0 467.289 4.692 40 0 JJABRN CC(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000328985781 570180589 /nfs/dbraw/zinc/18/05/89/570180589.db2.gz HVGHVBQFANKHBY-UHFFFAOYSA-N 0 0 452.278 4.728 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000409238341 570180782 /nfs/dbraw/zinc/18/07/82/570180782.db2.gz WZNVFAWLCCCFGV-UHFFFAOYSA-N 0 0 462.493 4.755 40 0 JJABRN COc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000328997246 570180953 /nfs/dbraw/zinc/18/09/53/570180953.db2.gz JNCLVBDJXHEEBY-FQEVSTJZSA-N 0 0 462.472 5.223 40 0 JJABRN C[C@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328993824 570180965 /nfs/dbraw/zinc/18/09/65/570180965.db2.gz JCTIVIVMAKMTSL-LLVKDONJSA-N 0 0 473.282 4.729 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O)Nc1ccccc1Cl ZINC000409238953 570181031 /nfs/dbraw/zinc/18/10/31/570181031.db2.gz XMORDSDIXOWFGR-KPKJPENVSA-N 0 0 457.758 4.839 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329012067 570181466 /nfs/dbraw/zinc/18/14/66/570181466.db2.gz MIJCHFBRPXPGSL-SFHVURJKSA-N 0 0 451.880 5.383 40 0 JJABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OC(C)C ZINC000409240288 570181609 /nfs/dbraw/zinc/18/16/09/570181609.db2.gz SGZCOFVIMUEXGL-VCHYOVAHSA-N 0 0 459.340 4.646 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329014366 570181712 /nfs/dbraw/zinc/18/17/12/570181712.db2.gz MVFUHHRAPSHXGR-QGZVFWFLSA-N 0 0 467.879 5.263 40 0 JJABRN OCCCNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329016407 570181811 /nfs/dbraw/zinc/18/18/11/570181811.db2.gz NFTITUVXABTBAB-UHFFFAOYSA-N 0 0 473.282 4.731 40 0 JJABRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000409243680 570183077 /nfs/dbraw/zinc/18/30/77/570183077.db2.gz ZLOMJBIIWCPGMM-PCLIKHOPSA-N 0 0 469.541 4.668 40 0 JJABRN CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c2ccccc21 ZINC000409243769 570183093 /nfs/dbraw/zinc/18/30/93/570183093.db2.gz YHCGOOCCRSEERY-RGVLZGJSSA-N 0 0 497.960 4.533 40 0 JJABRN CC[C@@H](C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329058970 570183258 /nfs/dbraw/zinc/18/32/58/570183258.db2.gz WEDZJGIEIHGRFM-CYBMUJFWSA-N 0 0 452.427 4.987 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329059711 570183287 /nfs/dbraw/zinc/18/32/87/570183287.db2.gz WJSVXICWYDVLSH-QGZVFWFLSA-N 0 0 451.880 5.383 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(C2CC2)n1 ZINC000329057292 570183310 /nfs/dbraw/zinc/18/33/10/570183310.db2.gz VXFGFKNUOBYUHU-MRXNPFEDSA-N 0 0 459.310 5.308 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329064063 570183470 /nfs/dbraw/zinc/18/34/70/570183470.db2.gz XHMREGRJTQSGSF-LJQANCHMSA-N 0 0 468.426 5.493 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000409248283 570185045 /nfs/dbraw/zinc/18/50/45/570185045.db2.gz PCVMMFSWTSKWQD-LJQANCHMSA-N 0 0 466.603 4.868 40 0 JJABRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2)cc1 ZINC000409249582 570185432 /nfs/dbraw/zinc/18/54/32/570185432.db2.gz NNVFIMINLFXSGQ-HAHDFKILSA-N 0 0 457.555 4.986 40 0 JJABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(OCC)c1 ZINC000409250317 570185697 /nfs/dbraw/zinc/18/56/97/570185697.db2.gz QNULZJNCRAHWBB-YBFXNURJSA-N 0 0 460.939 4.812 40 0 JJABRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)o2)cc1 ZINC000409251230 570185772 /nfs/dbraw/zinc/18/57/72/570185772.db2.gz UENQSPYZNJDUOF-CIAFOILYSA-N 0 0 464.474 4.963 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl ZINC000408526726 570186131 /nfs/dbraw/zinc/18/61/31/570186131.db2.gz BYYUWTOTAPNRQP-UHFFFAOYSA-N 0 0 465.015 4.964 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)cc1Cl ZINC000409253181 570186423 /nfs/dbraw/zinc/18/64/23/570186423.db2.gz AUVIFHSEUQQDAJ-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C(C)C)cc2)cc1C ZINC000408527900 570186588 /nfs/dbraw/zinc/18/65/88/570186588.db2.gz FXFNNOSEJJUNAZ-UHFFFAOYSA-N 0 0 480.630 4.999 40 0 JJABRN O=C(Oc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1)c1ccccc1I ZINC000409254173 570186598 /nfs/dbraw/zinc/18/65/98/570186598.db2.gz DBFVOEIOJUKZDC-UHFFFAOYSA-N 0 0 468.250 4.826 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1)c1ccc(Cl)cc1 ZINC000408528267 570186629 /nfs/dbraw/zinc/18/66/29/570186629.db2.gz DFMZXUVEHBAJHD-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409263293 570187911 /nfs/dbraw/zinc/18/79/11/570187911.db2.gz BNOZFKWUUVLDMD-CQSZACIVSA-N 0 0 462.921 4.859 40 0 JJABRN CCC[C@H](C)NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000409263291 570187934 /nfs/dbraw/zinc/18/79/34/570187934.db2.gz BNOZFKWUUVLDMD-AWEZNQCLSA-N 0 0 462.921 4.859 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000409264261 570188099 /nfs/dbraw/zinc/18/80/99/570188099.db2.gz QCUGIYVMVPEJLO-UHFFFAOYSA-N 0 0 474.810 4.782 40 0 JJABRN 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/nfs/dbraw/zinc/19/24/34/570192434.db2.gz FMIVYQIXNKYVKU-UHFFFAOYSA-N 0 0 453.749 4.632 40 0 JJABRN Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc(Br)ccc1O ZINC000408544481 570192489 /nfs/dbraw/zinc/19/24/89/570192489.db2.gz UDHSKGMZLHUKGY-UHFFFAOYSA-N 0 0 469.364 4.834 40 0 JJABRN COC(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1Cl ZINC000408544785 570192520 /nfs/dbraw/zinc/19/25/20/570192520.db2.gz XTNCYHGUKNHJPC-UHFFFAOYSA-N 0 0 479.945 4.557 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 ZINC000408544687 570192522 /nfs/dbraw/zinc/19/25/22/570192522.db2.gz WQXORNDGEFZXGA-UHFFFAOYSA-N 0 0 453.749 4.632 40 0 JJABRN O=C1c2ccccc2C(=O)N1CSc1nnc(Cc2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000408544653 570192573 /nfs/dbraw/zinc/19/25/73/570192573.db2.gz WJZHYHUZGRWEFS-UHFFFAOYSA-N 0 0 474.973 4.916 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(SC)cc1 ZINC000408545528 570192950 /nfs/dbraw/zinc/19/29/50/570192950.db2.gz UFIORBGRHOBLGB-UHFFFAOYSA-N 0 0 492.569 4.919 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000408545613 570192954 /nfs/dbraw/zinc/19/29/54/570192954.db2.gz LOUSUWFJXFVUPA-QLXKLKPCSA-N 0 0 477.586 4.834 40 0 JJABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000408549080 570194422 /nfs/dbraw/zinc/19/44/22/570194422.db2.gz WQRCXBXKTXEROA-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Cl)c(Cl)cc1Cl ZINC000408549380 570194571 /nfs/dbraw/zinc/19/45/71/570194571.db2.gz YPTQIFAINVIOJK-UHFFFAOYSA-N 0 0 489.852 4.894 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1C ZINC000408549339 570194578 /nfs/dbraw/zinc/19/45/78/570194578.db2.gz XQLBDQRYMYZEDV-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408549548 570194660 /nfs/dbraw/zinc/19/46/60/570194660.db2.gz ZUUOWRLOLKNTIM-UHFFFAOYSA-N 0 0 493.412 4.822 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)Cc2ccccc2)cc1C ZINC000408550409 570194945 /nfs/dbraw/zinc/19/49/45/570194945.db2.gz DNWXLXBSLOIIHT-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN C[C@H](C(=O)Nc1ccccc1Br)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408556169 570197324 /nfs/dbraw/zinc/19/73/24/570197324.db2.gz ICCNIRFYKPZEDV-SNVBAGLBSA-N 0 0 466.184 4.549 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl ZINC000408551935 570195382 /nfs/dbraw/zinc/19/53/82/570195382.db2.gz KBZGPIAXXAXQJY-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)Cc2ccccc2)cc1C ZINC000408552546 570195505 /nfs/dbraw/zinc/19/55/05/570195505.db2.gz QSGYPMLQDMCALW-UHFFFAOYSA-N 0 0 466.603 4.758 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCCCC1 ZINC000408552785 570195671 /nfs/dbraw/zinc/19/56/71/570195671.db2.gz NUKZYCPLUGIITL-UHFFFAOYSA-N 0 0 470.513 4.724 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000408553241 570195784 /nfs/dbraw/zinc/19/57/84/570195784.db2.gz 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CCC[C@@H](C)NC(=O)CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409305335 570197923 /nfs/dbraw/zinc/19/79/23/570197923.db2.gz VQTAGQVTAZWPAR-MRXNPFEDSA-N 0 0 457.423 4.798 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1F ZINC000408557457 570198212 /nfs/dbraw/zinc/19/82/12/570198212.db2.gz NPSPGBXFJTWCQT-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000408558261 570198790 /nfs/dbraw/zinc/19/87/90/570198790.db2.gz IWHHSFBXSINHRJ-UHFFFAOYSA-N 0 0 490.931 4.797 40 0 JJABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)C2)c1 ZINC000408558191 570198867 /nfs/dbraw/zinc/19/88/67/570198867.db2.gz ISCXMBYDQFZYOB-IBGZPJMESA-N 0 0 496.585 4.536 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c(C)c1 ZINC000408558597 570199031 /nfs/dbraw/zinc/19/90/31/570199031.db2.gz JUAKKNLCBXSZDH-KRWDZBQOSA-N 0 0 454.514 4.670 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000409310810 570199043 /nfs/dbraw/zinc/19/90/43/570199043.db2.gz WQVLQCPFPWAPKB-UHFFFAOYSA-N 0 0 498.576 4.774 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1NC(=O)c1ccccc1F ZINC000408558709 570199230 /nfs/dbraw/zinc/19/92/30/570199230.db2.gz SPQXZMMEEULYEI-UHFFFAOYSA-N 0 0 462.930 4.609 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccc(C)cc2)cc1 ZINC000409311992 570199247 /nfs/dbraw/zinc/19/92/47/570199247.db2.gz IZGHXQGUIQHIAD-UHFFFAOYSA-N 0 0 462.543 4.829 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(OC)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558885 570199314 /nfs/dbraw/zinc/19/93/14/570199314.db2.gz KMJLQBFAHLSAJK-UHFFFAOYSA-N 0 0 488.993 4.521 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)c1ccc(C)cc1 ZINC000408558918 570199339 /nfs/dbraw/zinc/19/93/39/570199339.db2.gz UNLJPFOMVUKZFW-UHFFFAOYSA-N 0 0 475.364 4.819 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000408559199 570199502 /nfs/dbraw/zinc/19/95/02/570199502.db2.gz WANNJHJLVPEDOU-UHFFFAOYSA-N 0 0 472.994 4.931 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)cc2)cc1Cl ZINC000408559130 570199573 /nfs/dbraw/zinc/19/95/73/570199573.db2.gz LKNQEMZTCIGHFC-UHFFFAOYSA-N 0 0 493.006 4.889 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408559349 570199705 /nfs/dbraw/zinc/19/97/05/570199705.db2.gz LRRCGRMUTZJBOM-LBPRGKRZSA-N 0 0 456.873 4.818 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000408559889 570200087 /nfs/dbraw/zinc/20/00/87/570200087.db2.gz NFMOODSISPJLPC-NRFANRHFSA-N 0 0 462.493 4.542 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(F)c1 ZINC000408559931 570200129 /nfs/dbraw/zinc/20/01/29/570200129.db2.gz XENSEGWMOGLARF-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C ZINC000409316370 570200332 /nfs/dbraw/zinc/20/03/32/570200332.db2.gz XLQDXGURJAICSR-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408561117 570200834 /nfs/dbraw/zinc/20/08/34/570200834.db2.gz QTDJVDDZOFUHGR-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000408561464 570201070 /nfs/dbraw/zinc/20/10/70/570201070.db2.gz SVAIQWLBNHNAAV-NRFANRHFSA-N 0 0 462.493 4.542 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408561462 570201080 /nfs/dbraw/zinc/20/10/80/570201080.db2.gz STTJIBMWTHNOKI-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000408561632 570201173 /nfs/dbraw/zinc/20/11/73/570201173.db2.gz UITOHPJDTJJRJJ-UHFFFAOYSA-N 0 0 450.988 4.511 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409321406 570201236 /nfs/dbraw/zinc/20/12/36/570201236.db2.gz GJRYXTJJCUZBAZ-UHFFFAOYSA-N 0 0 456.589 4.560 40 0 JJABRN CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409322187 570201316 /nfs/dbraw/zinc/20/13/16/570201316.db2.gz JEEAMCUNWUOJDC-UHFFFAOYSA-N 0 0 457.423 4.533 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c(C)c1 ZINC000408561896 570201393 /nfs/dbraw/zinc/20/13/93/570201393.db2.gz WRELMXCNSLOMBT-KRWDZBQOSA-N 0 0 454.514 4.670 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)cc1OC ZINC000409322420 570201467 /nfs/dbraw/zinc/20/14/67/570201467.db2.gz WXZCUNWVHPGMPM-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000408562033 570201491 /nfs/dbraw/zinc/20/14/91/570201491.db2.gz XDACMGRFADPLRO-QGZVFWFLSA-N 0 0 450.988 4.511 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408562114 570201510 /nfs/dbraw/zinc/20/15/10/570201510.db2.gz MUDXCGFJZDAMIW-UHFFFAOYSA-N 0 0 469.321 4.951 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562345 570201767 /nfs/dbraw/zinc/20/17/67/570201767.db2.gz ZEDBZPKZUIMGHL-UHFFFAOYSA-N 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ZINC000005946214 520723098 /nfs/dbraw/zinc/72/30/98/520723098.db2.gz AMCLHLMZQNEVSC-UHFFFAOYSA-N 0 0 457.324 4.812 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000016638998 520723140 /nfs/dbraw/zinc/72/31/40/520723140.db2.gz GWKBLUZKWRLCKG-UHFFFAOYSA-N 0 0 472.607 4.606 40 0 JJABRN CCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccc4ccccc4c3[C@@H]2c2ccc3ccccc3c21 ZINC000004803672 520774551 /nfs/dbraw/zinc/77/45/51/520774551.db2.gz DDKPSUPQZFPBGK-LJWNLINESA-N 0 0 461.517 4.748 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000013581409 520783247 /nfs/dbraw/zinc/78/32/47/520783247.db2.gz UMLUWAJOBDQBPI-UHFFFAOYSA-N 0 0 454.548 4.770 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=N1 ZINC000022750184 520811347 /nfs/dbraw/zinc/81/13/47/520811347.db2.gz HNIDJPXXIOURTD-FGGAIWKESA-N 0 0 492.025 4.589 40 0 JJABRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 ZINC000016692083 520840254 /nfs/dbraw/zinc/84/02/54/520840254.db2.gz ZJRQKEGUJHZIBR-UHFFFAOYSA-N 0 0 479.993 4.837 40 0 JJABRN CCCCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000002745985 520870258 /nfs/dbraw/zinc/87/02/58/520870258.db2.gz SBEWJSFDDIKKAN-DEOSSOPVSA-N 0 0 459.502 4.506 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000016639319 520899538 /nfs/dbraw/zinc/89/95/38/520899538.db2.gz BQGWARQRZWQJAM-UHFFFAOYSA-N 0 0 481.540 4.848 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020484119 521022923 /nfs/dbraw/zinc/02/29/23/521022923.db2.gz TXYXBZNIRCOFDE-SANMLTNESA-N 0 0 496.629 4.865 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020105342 521023468 /nfs/dbraw/zinc/02/34/68/521023468.db2.gz FNUIGKRBLLXMBH-SANMLTNESA-N 0 0 478.614 4.783 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020451950 521023667 /nfs/dbraw/zinc/02/36/67/521023667.db2.gz JPZCBWUKQOWRKT-XMMPIXPASA-N 0 0 470.566 4.687 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000019818433 521091332 /nfs/dbraw/zinc/09/13/32/521091332.db2.gz LQLMPJINUDQTPQ-UIOOFZCWSA-N 0 0 499.567 4.980 40 0 JJABRN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020004627 521102008 /nfs/dbraw/zinc/10/20/08/521102008.db2.gz LSTCYUQHYVSOTG-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(C)cc2)cc1 ZINC000020451446 521188571 /nfs/dbraw/zinc/18/85/71/521188571.db2.gz OTSHJEQGENHIAH-AREMUKBSSA-N 0 0 478.614 4.783 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccccc2)cc1C ZINC000022536401 521189125 /nfs/dbraw/zinc/18/91/25/521189125.db2.gz CEAPXEPBYIEGGV-HXUWFJFHSA-N 0 0 484.593 4.601 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccccc2)c2ccccc2)cc1 ZINC000044903448 521189271 /nfs/dbraw/zinc/18/92/71/521189271.db2.gz NZPACHIIUDOAPQ-XMMPIXPASA-N 0 0 452.576 4.548 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1Cl ZINC000022536532 521193177 /nfs/dbraw/zinc/19/31/77/521193177.db2.gz ASTNIAVTIJNJPL-IBGZPJMESA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000020458120 521221895 /nfs/dbraw/zinc/22/18/95/521221895.db2.gz KRQQDYHGLZJLIU-LJQANCHMSA-N 0 0 452.576 4.543 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000044884854 521222633 /nfs/dbraw/zinc/22/26/33/521222633.db2.gz KVFUUBLMMXIVLU-HXUWFJFHSA-N 0 0 466.603 4.851 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020460816 521252690 /nfs/dbraw/zinc/25/26/90/521252690.db2.gz JBHHFZBYJSTZEE-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)cc1 ZINC000020459700 521254063 /nfs/dbraw/zinc/25/40/63/521254063.db2.gz DZKDRNGYEFGULB-FQEVSTJZSA-N 0 0 482.602 4.557 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000044884857 521255425 /nfs/dbraw/zinc/25/54/25/521255425.db2.gz KVFUUBLMMXIVLU-FQEVSTJZSA-N 0 0 466.603 4.851 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1OCC ZINC000019820700 521278287 /nfs/dbraw/zinc/27/82/87/521278287.db2.gz JLZCLCKPXATOFP-FTJBHMTQSA-N 0 0 483.568 4.793 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 ZINC000019820636 521278425 /nfs/dbraw/zinc/27/84/25/521278425.db2.gz CKUXDFNIULWLPV-FTJBHMTQSA-N 0 0 483.568 4.793 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1OCC ZINC000019820295 521278674 /nfs/dbraw/zinc/27/86/74/521278674.db2.gz XIBJZTBGQDTUOO-JWQCQUIFSA-N 0 0 469.541 4.751 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1cc(C)cc(C)c1 ZINC000012483981 521346363 /nfs/dbraw/zinc/34/63/63/521346363.db2.gz CLXYPJGENYJQBQ-QHCPKHFHSA-N 0 0 481.618 4.767 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022430565 521348908 /nfs/dbraw/zinc/34/89/08/521348908.db2.gz BURWCEIBJSXLSQ-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000022429435 521350563 /nfs/dbraw/zinc/35/05/63/521350563.db2.gz WSWFPYOPVQKTPP-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500420 521372454 /nfs/dbraw/zinc/37/24/54/521372454.db2.gz ILNNLTRKKQFKFA-HSZRJFAPSA-N 0 0 462.598 4.961 40 0 JJABRN CCOC(=O)c1cc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)ccc1Cl ZINC000020495837 521438681 /nfs/dbraw/zinc/43/86/81/521438681.db2.gz WHDULGDALCHYLK-UHFFFAOYSA-N 0 0 472.950 4.598 40 0 JJABRN CCOC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000022427836 521439689 /nfs/dbraw/zinc/43/96/89/521439689.db2.gz OVEJBCWCSBJMDR-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)ccc1Cl ZINC000020493896 521442207 /nfs/dbraw/zinc/44/22/07/521442207.db2.gz ZOLOVLNJOCYRJN-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)ccc1Cl ZINC000044901909 521444499 /nfs/dbraw/zinc/44/44/99/521444499.db2.gz JETIKWSRTQNBBG-UHFFFAOYSA-N 0 0 478.979 4.656 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccccc2SC)cc1)S(=O)(=O)c1ccccc1 ZINC000019937939 521493073 /nfs/dbraw/zinc/49/30/73/521493073.db2.gz UXRPIWAWWMOBRO-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022427947 521493633 /nfs/dbraw/zinc/49/36/33/521493633.db2.gz QYTZTUAZECOPAK-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020482292 521495458 /nfs/dbraw/zinc/49/54/58/521495458.db2.gz QVDHKHXZYWOPKZ-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020494097 521513105 /nfs/dbraw/zinc/51/31/05/521513105.db2.gz BTSFZXWKWDEYIN-KRWDZBQOSA-N 0 0 490.984 4.951 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1Cl ZINC000044841449 521513214 /nfs/dbraw/zinc/51/32/14/521513214.db2.gz JYDYTRTVLZLLRU-UHFFFAOYSA-N 0 0 499.416 4.987 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448633 521514321 /nfs/dbraw/zinc/51/43/21/521514321.db2.gz PMNAHPMKOBEMED-MRXNPFEDSA-N 0 0 498.988 4.909 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1Cl ZINC000020458641 521515292 /nfs/dbraw/zinc/51/52/92/521515292.db2.gz XEIWBRWWBVYISN-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1cnccn1 ZINC000012484134 521570691 /nfs/dbraw/zinc/57/06/91/521570691.db2.gz RFHVRJVMSNIJDF-MHZLTWQESA-N 0 0 486.616 4.750 40 0 JJABRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN3c4ccc(C)cc4[C@H]4CCC[C@H]2[C@@H]43)cc1 ZINC000020436078 521650054 /nfs/dbraw/zinc/65/00/54/521650054.db2.gz GSQFMVMRKIQNBM-DURWQBQJSA-N 0 0 495.689 4.786 40 0 JJABRN CCN1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc3ccccc32)CC1 ZINC000016681513 521696909 /nfs/dbraw/zinc/69/69/09/521696909.db2.gz TUICMACVXQQQCC-UHFFFAOYSA-N 0 0 453.011 4.762 40 0 JJABRN CCc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000013562583 521753444 /nfs/dbraw/zinc/75/34/44/521753444.db2.gz UZNDKYFTGAGXHC-KDURUIRLSA-N 0 0 464.635 4.834 40 0 JJABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000044904507 521773988 /nfs/dbraw/zinc/77/39/88/521773988.db2.gz KBFYTSKRFLEBIG-UHFFFAOYSA-N 0 0 453.029 4.633 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020352328 521785667 /nfs/dbraw/zinc/78/56/67/521785667.db2.gz FCPFLTKJOOJXQH-UHFFFAOYSA-N 0 0 475.364 4.645 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020487907 521857910 /nfs/dbraw/zinc/85/79/10/521857910.db2.gz JYTMIGIPOBNXLB-VXKWHMMOSA-N 0 0 467.031 4.797 40 0 JJABRN CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000020213565 521876620 /nfs/dbraw/zinc/87/66/20/521876620.db2.gz KXTKVZCXGQQRDS-UHFFFAOYSA-N 0 0 476.529 4.951 40 0 JJABRN CC[C@@H](C)N(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1Cl ZINC000012491812 522033022 /nfs/dbraw/zinc/03/30/22/522033022.db2.gz WZQVCOGTAJNRDD-IVZQSRNASA-N 0 0 477.005 4.638 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1C ZINC000044884506 522237997 /nfs/dbraw/zinc/23/79/97/522237997.db2.gz XCARKVFYOKHHCH-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)c1ccc(C)cc1 ZINC000044949656 522367863 /nfs/dbraw/zinc/36/78/63/522367863.db2.gz HLFJFHXJGWTXAA-QFIPXVFZSA-N 0 0 493.467 4.567 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000022431747 522378467 /nfs/dbraw/zinc/37/84/67/522378467.db2.gz HBBLJKDCMUZRAZ-QHCPKHFHSA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000020493125 522382358 /nfs/dbraw/zinc/38/23/58/522382358.db2.gz GSAVSBGCYWOLPM-DEOSSOPVSA-N 0 0 470.566 4.606 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000020487665 522383615 /nfs/dbraw/zinc/38/36/15/522383615.db2.gz MBUGIDIKMUHOFT-VWLOTQADSA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044884974 522384425 /nfs/dbraw/zinc/38/44/25/522384425.db2.gz PAOFBPYUIBVGBF-VWLOTQADSA-N 0 0 466.603 4.608 40 0 JJABRN CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016186714 522423478 /nfs/dbraw/zinc/42/34/78/522423478.db2.gz IAWHDZYKTLNLAP-UHFFFAOYSA-N 0 0 477.413 4.843 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(OC)cc1 ZINC000020458161 522496642 /nfs/dbraw/zinc/49/66/42/522496642.db2.gz DCGDVNUMMPEMCT-GCJKJVERSA-N 0 0 499.460 4.811 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc(C)cc1 ZINC000020486894 522502346 /nfs/dbraw/zinc/50/23/46/522502346.db2.gz SXIRUTINTNWUDM-URXFXBBRSA-N 0 0 485.005 4.872 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl)c1ccc(OC)cc1 ZINC000020106081 522525775 /nfs/dbraw/zinc/52/57/75/522525775.db2.gz NESBRBXAXQLIMR-QFIPXVFZSA-N 0 0 465.015 4.650 40 0 JJABRN CC[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1 ZINC000038753233 522532355 /nfs/dbraw/zinc/53/23/55/522532355.db2.gz RCUMNTSRQZYHRK-DEOSSOPVSA-N 0 0 483.609 4.828 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4OC)n21)CC[C@@H](C)C3 ZINC000013499778 522539928 /nfs/dbraw/zinc/53/99/28/522539928.db2.gz OQJVQTXPXUGVLF-CYBMUJFWSA-N 0 0 497.646 4.774 40 0 JJABRN CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020481198 522543921 /nfs/dbraw/zinc/54/39/21/522543921.db2.gz CWLNGLAJMFKKAX-QHCPKHFHSA-N 0 0 452.576 4.710 40 0 JJABRN COc1cc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1ccc(CO)o1 ZINC000020153578 522735440 /nfs/dbraw/zinc/73/54/40/522735440.db2.gz DUFSWYYSJLJTQH-UHFFFAOYSA-N 0 0 450.560 4.773 40 0 JJABRN CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 ZINC000044899752 522761434 /nfs/dbraw/zinc/76/14/34/522761434.db2.gz AQYVUVGXJLMWBR-WIYYLYMNSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020481036 522764185 /nfs/dbraw/zinc/76/41/85/522764185.db2.gz KKNPCOLHLMIRPG-YADARESESA-N 0 0 452.576 4.901 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000044899877 522784886 /nfs/dbraw/zinc/78/48/86/522784886.db2.gz HLOWYQUMBFTYNS-XMMPIXPASA-N 0 0 454.567 4.981 40 0 JJABRN COC(=O)C1=C(C)N[C@H]2SC(=Cc3cccs3)C(=O)N2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000022744576 522887424 /nfs/dbraw/zinc/88/74/24/522887424.db2.gz KPDQYTPVNDMTHQ-LYFIPIHJSA-N 0 0 486.615 4.535 40 0 JJABRN COC(=O)CCC(=O)Nc1cccc([C@H]2O[C@H]3CCCC[C@@H]3c3c(OC)ccc(OC)c32)c1 ZINC000008782734 522947470 /nfs/dbraw/zinc/94/74/70/522947470.db2.gz PSPVHRSCWDUXJW-LZJCXSABSA-N 0 0 453.535 4.741 40 0 JJABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)c1cccc(C)c1)CC2 ZINC000035311370 523047752 /nfs/dbraw/zinc/04/77/52/523047752.db2.gz BFRBCRHNVNISGJ-HHHXNRCGSA-N 0 0 468.553 4.950 40 0 JJABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020456939 523052515 /nfs/dbraw/zinc/05/25/15/523052515.db2.gz DMDNGYFYFCKECO-JOCHJYFZSA-N 0 0 474.966 4.946 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495579 523131453 /nfs/dbraw/zinc/13/14/53/523131453.db2.gz XJXGVEJKDBEPFP-DEOSSOPVSA-N 0 0 468.561 4.618 40 0 JJABRN COc1ccc(-c2csc(NC(=S)NC(=O)COc3cccc(C)c3)n2)cc1Br ZINC000016349810 523170928 /nfs/dbraw/zinc/17/09/28/523170928.db2.gz OHAGYQLPJYPIEO-UHFFFAOYSA-N 0 0 492.420 4.782 40 0 JJABRN COC(=O)COc1c(OC)cc(Cl)cc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000016195384 523216380 /nfs/dbraw/zinc/21/63/80/523216380.db2.gz IVPJORMRSKZPIJ-HSZRJFAPSA-N 0 0 470.884 4.811 40 0 JJABRN COc1ccc(-c2nn3c(SCC(=O)Nc4ccc(C)cc4)nnc3c3ccccc32)cc1 ZINC000022763663 523247847 /nfs/dbraw/zinc/24/78/47/523247847.db2.gz MCUCBTREFIYTNF-UHFFFAOYSA-N 0 0 455.543 4.992 40 0 JJABRN COCc1nn2c(ncc3c2ccn(Cc2ccc(OC)c(OC)c2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397774 523248268 /nfs/dbraw/zinc/24/82/68/523248268.db2.gz USKSVRPOXWAFFS-UHFFFAOYSA-N 0 0 490.947 4.577 40 0 JJABRN COc1ccc(C(=O)n2c3cc4c(cc3nc2-c2ccc(Br)cc2)OCCO4)cc1 ZINC000016216388 523783809 /nfs/dbraw/zinc/78/38/09/523783809.db2.gz KYNDJGLQJUBFRL-UHFFFAOYSA-N 0 0 465.303 4.934 40 0 JJABRN COc1ccc(C)cc1CN(C)Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCC(C)C ZINC000012522776 523808804 /nfs/dbraw/zinc/80/88/04/523808804.db2.gz GMJXDOKFINVTDM-UHFFFAOYSA-N 0 0 465.623 4.633 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000020042907 523817149 /nfs/dbraw/zinc/81/71/49/523817149.db2.gz IEJNMVRJJKUYAA-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000020013743 523846970 /nfs/dbraw/zinc/84/69/70/523846970.db2.gz BSGJAYHHMVBTFP-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(SC)cc1)c1ccccc1 ZINC000020014186 523847081 /nfs/dbraw/zinc/84/70/81/523847081.db2.gz QBDXBTWYFPHIOO-IBGZPJMESA-N 0 0 484.643 4.798 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000022536207 523847535 /nfs/dbraw/zinc/84/75/35/523847535.db2.gz DIYUCVVCVRZOAQ-QGZVFWFLSA-N 0 0 490.984 4.869 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020007063 523849638 /nfs/dbraw/zinc/84/96/38/523849638.db2.gz SVLFQFJARQJLBT-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020007060 523850794 /nfs/dbraw/zinc/85/07/94/523850794.db2.gz LTCVPBLFBPYTSB-HXUWFJFHSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 ZINC000012497764 523880828 /nfs/dbraw/zinc/88/08/28/523880828.db2.gz HXEMZVXAGMPMOD-UHFFFAOYSA-N 0 0 491.389 4.728 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000020452929 523971218 /nfs/dbraw/zinc/97/12/18/523971218.db2.gz NPKNOKRZEYMXDW-QGZVFWFLSA-N 0 0 482.964 4.736 40 0 JJABRN COc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022430710 524049961 /nfs/dbraw/zinc/04/99/61/524049961.db2.gz RCKMDPKRDPVFHI-UHFFFAOYSA-N 0 0 496.629 4.647 40 0 JJABRN Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1C ZINC000004278046 524109722 /nfs/dbraw/zinc/10/97/22/524109722.db2.gz IDTCTSYKZVOILL-RBUKOAKNSA-N 0 0 469.006 4.594 40 0 biogenic,in-vitro JJABRN Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccccc2)c1 ZINC000013465165 524113535 /nfs/dbraw/zinc/11/35/35/524113535.db2.gz APHRRBZVFNFNDA-MUUNZHRXSA-N 0 0 483.616 4.985 40 0 JJABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)NC2CCCCC2)cc1OC ZINC000016227293 524142735 /nfs/dbraw/zinc/14/27/35/524142735.db2.gz MLKPDQYSLDMQKU-JOCHJYFZSA-N 0 0 468.594 4.905 40 0 JJABRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NCc2ccccc2)cc1OC ZINC000016227330 524143118 /nfs/dbraw/zinc/14/31/18/524143118.db2.gz CDGSGIFIXWVRJG-HSZRJFAPSA-N 0 0 492.641 4.938 40 0 JJABRN COc1ccc(Cc2nn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=S)n2-n2cccc2)cc1 ZINC000016807134 524167112 /nfs/dbraw/zinc/16/71/12/524167112.db2.gz HXMUUDLTGIGWQZ-UHFFFAOYSA-N 0 0 471.945 4.558 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000016309621 524214666 /nfs/dbraw/zinc/21/46/66/524214666.db2.gz RYNOWLQIYVCHCX-UHFFFAOYSA-N 0 0 465.015 4.691 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCc3ccccc3)cc12 ZINC000006244753 524215304 /nfs/dbraw/zinc/21/53/04/524215304.db2.gz HJWLTZUAZXNAEP-UHFFFAOYSA-N 0 0 456.615 4.659 40 0 JJABRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O ZINC000020418116 524273927 /nfs/dbraw/zinc/27/39/27/524273927.db2.gz SDLNPQPGOFXARP-YBEGLDIGSA-N 0 0 492.338 4.583 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(Br)c1 ZINC000008814636 524309495 /nfs/dbraw/zinc/30/94/95/524309495.db2.gz QJXRBNJGZUONGB-UHFFFAOYSA-N 0 0 487.316 4.939 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670106 524318206 /nfs/dbraw/zinc/31/82/06/524318206.db2.gz KZUIPJBJNIOGIP-UHFFFAOYSA-N 0 0 474.985 4.732 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)c(C)c1 ZINC000020004875 524322589 /nfs/dbraw/zinc/32/25/89/524322589.db2.gz OPOCUGXNJHMQQZ-XMMPIXPASA-N 0 0 456.652 4.731 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1C ZINC000022536735 524329896 /nfs/dbraw/zinc/32/98/96/524329896.db2.gz XCBIDXHUAZKIQC-FGZHOGPDSA-N 0 0 480.630 4.908 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3ccco3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499001 524349772 /nfs/dbraw/zinc/34/97/72/524349772.db2.gz LQWYOVGGGXHAEW-QHCPKHFHSA-N 0 0 462.598 4.879 40 0 JJABRN COc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429634 524356894 /nfs/dbraw/zinc/35/68/94/524356894.db2.gz FRDQVZLJGNFIKE-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430395 524364937 /nfs/dbraw/zinc/36/49/37/524364937.db2.gz XNDKIFBPBAKMMD-UHFFFAOYSA-N 0 0 450.604 4.774 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000020044803 524370113 /nfs/dbraw/zinc/37/01/13/524370113.db2.gz WXCQYFCPMHXFCE-UUOWRZLLSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020493960 524402616 /nfs/dbraw/zinc/40/26/16/524402616.db2.gz NTRXTZOLAZVZBW-UHFFFAOYSA-N 0 0 472.994 4.820 40 0 JJABRN COc1ccccc1CN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000012477052 524425245 /nfs/dbraw/zinc/42/52/45/524425245.db2.gz YSXHNQPCRAHLAN-SANMLTNESA-N 0 0 477.630 4.913 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020494150 524428031 /nfs/dbraw/zinc/42/80/31/524428031.db2.gz INZFVSKGTHRCAW-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020458171 524434711 /nfs/dbraw/zinc/43/47/11/524434711.db2.gz KTHOXLBKBURFKM-UHFFFAOYSA-N 0 0 470.616 4.514 40 0 JJABRN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccc(F)c2)cc1 ZINC000009892308 524521279 /nfs/dbraw/zinc/52/12/79/524521279.db2.gz ORTRTINBBNJVMN-QHCPKHFHSA-N 0 0 461.493 4.509 40 0 JJABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OC ZINC000044884334 524637386 /nfs/dbraw/zinc/63/73/86/524637386.db2.gz SBFNISFIUZTFIP-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000020449615 524640142 /nfs/dbraw/zinc/64/01/42/524640142.db2.gz CMKUOPLUIGSZBH-AWEZNQCLSA-N 0 0 474.941 4.880 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000022521847 524692165 /nfs/dbraw/zinc/69/21/65/524692165.db2.gz JHLQTCCEVCDKFV-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2C)OCO4)cc1 ZINC000005741961 524710931 /nfs/dbraw/zinc/71/09/31/524710931.db2.gz XWPTTYCGUZLNFK-XWANHTQCSA-N 0 0 465.502 4.745 40 0 JJABRN COc1ccc(OC)c(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)c1 ZINC000016769823 524822477 /nfs/dbraw/zinc/82/24/77/524822477.db2.gz OFKDQGQLHFAORL-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011822 524858244 /nfs/dbraw/zinc/85/82/44/524858244.db2.gz ABTHCUHRFZEWLM-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1F ZINC000013507756 524876030 /nfs/dbraw/zinc/87/60/30/524876030.db2.gz OJSBRVGNSJUTAJ-DEOSSOPVSA-N 0 0 497.592 4.742 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1F ZINC000013506196 524876115 /nfs/dbraw/zinc/87/61/15/524876115.db2.gz QFOZAWPIKVDJML-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000013670302 524887865 /nfs/dbraw/zinc/88/78/65/524887865.db2.gz SHBOEOQVSSMFPH-SFHVURJKSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000022509249 524892864 /nfs/dbraw/zinc/89/28/64/524892864.db2.gz NOQBXBQKQNGDHT-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000020050367 524893891 /nfs/dbraw/zinc/89/38/91/524893891.db2.gz ZZSIKNFXMIKYET-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429548 524895015 /nfs/dbraw/zinc/89/50/15/524895015.db2.gz QORKZXXXQGYORW-UHFFFAOYSA-N 0 0 498.004 4.609 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535514 524946438 /nfs/dbraw/zinc/94/64/38/524946438.db2.gz XMYMMXCUNBZKDX-KRWDZBQOSA-N 0 0 460.958 4.547 40 0 JJABRN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000020012254 524947175 /nfs/dbraw/zinc/94/71/75/524947175.db2.gz DDADNBSRXQGUMM-KRWDZBQOSA-N 0 0 460.958 4.547 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000020488182 525010146 /nfs/dbraw/zinc/01/01/46/525010146.db2.gz GIVWBCPXSCTXOX-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000020451058 525010629 /nfs/dbraw/zinc/01/06/29/525010629.db2.gz OBWHVPXPTVYTMP-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1cc(I)ccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 ZINC000022757539 525011377 /nfs/dbraw/zinc/01/13/77/525011377.db2.gz UVKWQGJRTLDSCW-UHFFFAOYSA-N 0 0 497.130 4.768 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1Cl ZINC000022539897 525019049 /nfs/dbraw/zinc/01/90/49/525019049.db2.gz BSWQCXKICDNNLL-GOSISDBHSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C ZINC000022539723 525075741 /nfs/dbraw/zinc/07/57/41/525075741.db2.gz GZGLMHAEJYMCGA-BKMJKUGQSA-N 0 0 494.657 4.696 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1OC ZINC000020491670 525110156 /nfs/dbraw/zinc/11/01/56/525110156.db2.gz LLMXWXXDGWPOTH-KRWDZBQOSA-N 0 0 486.615 4.932 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000020047032 525111740 /nfs/dbraw/zinc/11/17/40/525111740.db2.gz SCMCBMFFBXJCMU-OAHLLOKOSA-N 0 0 454.514 4.552 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)cc1 ZINC000012478651 525115627 /nfs/dbraw/zinc/11/56/27/525115627.db2.gz HZGNZJJUSJLQBT-SANMLTNESA-N 0 0 490.556 4.850 40 0 JJABRN Cc1ccccc1CN(c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000020491879 525133194 /nfs/dbraw/zinc/13/31/94/525133194.db2.gz VCVLGJPRLXJBEO-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 ZINC000020458111 525141169 /nfs/dbraw/zinc/14/11/69/525141169.db2.gz FAKPVOKXDBJSRF-LJQANCHMSA-N 0 0 452.576 4.912 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC ZINC000044843201 525144064 /nfs/dbraw/zinc/14/40/64/525144064.db2.gz VXFOPIAYIWEUIR-MRXNPFEDSA-N 0 0 488.993 4.673 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCSCc2ccccc2F)cc1 ZINC000013671289 525157791 /nfs/dbraw/zinc/15/77/91/525157791.db2.gz YFNXGQROQONRAA-UHFFFAOYSA-N 0 0 490.597 4.594 40 0 JJABRN C[C@H](NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000022534995 525160549 /nfs/dbraw/zinc/16/05/49/525160549.db2.gz SGEAVFKVNXGUBX-ROUUACIJSA-N 0 0 456.539 4.650 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020486186 525173501 /nfs/dbraw/zinc/17/35/01/525173501.db2.gz NIQSRHAYGDXFIH-RUZDIDTESA-N 0 0 484.593 4.933 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000020494930 525174861 /nfs/dbraw/zinc/17/48/61/525174861.db2.gz WVYPWPJDOSVUHE-AZGAKELHSA-N 0 0 486.678 4.573 40 0 JJABRN Cc1ccccc1NC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000020418753 525231221 /nfs/dbraw/zinc/23/12/21/525231221.db2.gz PTXMWEPSEZSGRZ-LJQANCHMSA-N 0 0 456.365 4.656 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)c(C)c1 ZINC000020494948 525297154 /nfs/dbraw/zinc/29/71/54/525297154.db2.gz SAAYSNCYBMWSPL-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1C ZINC000020019992 525301733 /nfs/dbraw/zinc/30/17/33/525301733.db2.gz UCTVZVZVOIINAA-RUZDIDTESA-N 0 0 464.587 4.677 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1C ZINC000020022578 525302269 /nfs/dbraw/zinc/30/22/69/525302269.db2.gz SSIZMNHXAYXXLX-RUZDIDTESA-N 0 0 478.614 4.985 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020495155 525303856 /nfs/dbraw/zinc/30/38/56/525303856.db2.gz AMQZWLADXGGDDC-NRFANRHFSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OC ZINC000044901643 525313256 /nfs/dbraw/zinc/31/32/56/525313256.db2.gz JMTYVOTTXQCTOD-HNNXBMFYSA-N 0 0 474.966 4.649 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000020483065 525314673 /nfs/dbraw/zinc/31/46/73/525314673.db2.gz XPQMTSRNPQCNKP-IBGZPJMESA-N 0 0 452.576 4.912 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1OC ZINC000020108903 525315232 /nfs/dbraw/zinc/31/52/32/525315232.db2.gz FOSFPJDCRJPBJX-FQEVSTJZSA-N 0 0 496.629 4.778 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000020456205 525345701 /nfs/dbraw/zinc/34/57/01/525345701.db2.gz IJFONEQQLDACEV-DEOSSOPVSA-N 0 0 493.069 4.794 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000020493034 525347929 /nfs/dbraw/zinc/34/79/29/525347929.db2.gz QZEHXPKSLCPHGR-UTKZUKDTSA-N 0 0 467.031 4.715 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428703 525348063 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RKMPYQMXIOETCU-DEOSSOPVSA-N 0 0 452.551 4.523 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000016309993 525511256 /nfs/dbraw/zinc/51/12/56/525511256.db2.gz OSXZVVWMMQPSGB-UHFFFAOYSA-N 0 0 456.995 4.881 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](c1ccccc1)c1ccccc1C ZINC000044844585 525527885 /nfs/dbraw/zinc/52/78/85/525527885.db2.gz UOWYHCMPGATIRE-SANMLTNESA-N 0 0 462.615 4.997 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)c(Cl)c2)cc1 ZINC000020484609 525598515 /nfs/dbraw/zinc/59/85/15/525598515.db2.gz LUJXSHJXYRTWHG-UHFFFAOYSA-N 0 0 487.984 4.551 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2Cl)cc1 ZINC000044904600 525601384 /nfs/dbraw/zinc/60/13/84/525601384.db2.gz CKBWDTRRRUDSJA-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(OCc2ccccc2)cc1)N(CCO)C3=O ZINC000016778797 525692995 /nfs/dbraw/zinc/69/29/95/525692995.db2.gz HQCHHBMXIBZMJE-XMMPIXPASA-N 0 0 475.928 4.871 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)cc1 ZINC000012478394 525873496 /nfs/dbraw/zinc/87/34/96/525873496.db2.gz KNFJNZWCRKDIIL-AREMUKBSSA-N 0 0 498.587 4.709 40 0 JJABRN CC(=O)c1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)c1 ZINC000096297338 534889652 /nfs/dbraw/zinc/88/96/52/534889652.db2.gz HNZPIYWRPAOGKF-VABKMULXSA-N 0 0 491.341 4.703 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000020495492 525905939 /nfs/dbraw/zinc/90/59/39/525905939.db2.gz JESVAZRUPPSCEO-FUHWJXTLSA-N 0 0 469.434 4.721 40 0 JJABRN C[C@@]12CO[C@@H](Cc3ccccc3)O[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H](O)[C@H]1CC(=O)N1CCCCC1 ZINC000004236905 525915854 /nfs/dbraw/zinc/91/58/54/525915854.db2.gz SHODNLNRPSDUDF-QAMOTDQXSA-N 0 0 455.639 4.567 40 0 biogenic,in-vitro JJABRN C[C@@]12CO[C@@H](Cc3ccccc3)O[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H](O)[C@H]1CC(=O)NCc1cccs1 ZINC000004236925 525916138 /nfs/dbraw/zinc/91/61/38/525916138.db2.gz KDYJWWBRZFDDML-QAMOTDQXSA-N 0 0 483.674 4.932 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)N1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Nc3cccc(F)c3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020467352 525962628 /nfs/dbraw/zinc/96/26/28/525962628.db2.gz IXXDMIVXAUMCAE-XPLLTLKCSA-N 0 0 473.633 4.788 40 0 biogenic,in-vitro JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c2ccccc2)cc1 ZINC000020483037 525964360 /nfs/dbraw/zinc/96/43/60/525964360.db2.gz YDAZWMTVUHQXAO-HHHXNRCGSA-N 0 0 476.642 4.751 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c2ccccc2)cc1 ZINC000020451368 525967433 /nfs/dbraw/zinc/96/74/33/525967433.db2.gz CNJAKCLNFOMOFU-VSGBNLITSA-N 0 0 498.604 4.857 40 0 JJABRN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1 ZINC000009489973 526032233 /nfs/dbraw/zinc/03/22/33/526032233.db2.gz CVUFURIXCAINAK-PJUBBZNESA-N 0 0 488.466 4.886 40 0 JJABRN C[C@H](C(=O)NC1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466831 526034460 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Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)CC2)cc1 ZINC000022714154 526115209 /nfs/dbraw/zinc/11/52/09/526115209.db2.gz FIQXITSQRDHLJN-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN COc1cccc(N(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013494352 526128319 /nfs/dbraw/zinc/12/83/19/526128319.db2.gz MECDVYNNQROLAU-JOCHJYFZSA-N 0 0 468.554 4.523 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000008641964 526170777 /nfs/dbraw/zinc/17/07/77/526170777.db2.gz UILJRATVCNRWMT-UHFFFAOYSA-N 0 0 478.437 4.676 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N ZINC000016755842 526170974 /nfs/dbraw/zinc/17/09/74/526170974.db2.gz ZVTFSHWZTLPXKU-UHFFFAOYSA-N 0 0 474.428 4.758 40 0 JJABRN Cc1ccc(C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807483 526241563 /nfs/dbraw/zinc/24/15/63/526241563.db2.gz TXYVFFUIEMPVJQ-YQHHHJOQSA-N 0 0 497.982 4.663 40 0 JJABRN Ic1cccc(-c2nnc(-c3cccc(I)c3)o2)c1 ZINC000073634411 526426751 /nfs/dbraw/zinc/42/67/51/526426751.db2.gz GLIJXCCHGIELRD-UHFFFAOYSA-N 0 0 474.039 4.613 40 0 JJABRN O=C1N[C@@H](c2cccc(Oc3ccccc3)c2)C(=C(O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004144335 526690496 /nfs/dbraw/zinc/69/04/96/526690496.db2.gz MPMCDMABJOFCCS-JTAQYXEDSA-N 0 0 474.410 4.722 40 0 JJABRN O=C(c1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000004237434 526838902 /nfs/dbraw/zinc/83/89/02/526838902.db2.gz ZKPCAMUSXKAJTR-GOEBONIOSA-N 0 0 460.477 4.735 40 0 biogenic,in-vitro JJABRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc(Cl)cc1Cl ZINC000020458050 526909966 /nfs/dbraw/zinc/90/99/66/526909966.db2.gz JMBPQKAZFCAGHN-NSHDSACASA-N 0 0 471.134 4.535 40 0 JJABRN O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044883520 526913834 /nfs/dbraw/zinc/91/38/34/526913834.db2.gz QUNCJPZKSYRMAO-JOCHJYFZSA-N 0 0 481.445 4.729 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000017949465 526914465 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CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008994973 554855224 /nfs/dbraw/zinc/85/52/24/554855224.db2.gz ACZXXXCWTBRSEG-AREMUKBSSA-N 0 0 490.604 4.777 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1OC ZINC000009064893 554884394 /nfs/dbraw/zinc/88/43/94/554884394.db2.gz NUBNQQCJOJOQNX-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN COc1ccc2nc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)sc2c1 ZINC000009142373 554935471 /nfs/dbraw/zinc/93/54/71/554935471.db2.gz XOAXALHRYSEDHX-UHFFFAOYSA-N 0 0 466.382 4.511 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000009142390 554935711 /nfs/dbraw/zinc/93/57/11/554935711.db2.gz MDARXSUYHFFRTP-UHFFFAOYSA-N 0 0 451.939 4.518 40 0 JJABRN C[C@@H]1c2c(nc(SCC(=O)NCc3ccccc3)n(-c3ccc(Cl)cc3)c2=O)S[C@H]1C ZINC000009232062 555004099 /nfs/dbraw/zinc/00/40/99/555004099.db2.gz OCTILDPDLVTVAU-GJZGRUSLSA-N 0 0 472.035 4.892 40 0 JJABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000009234664 555008599 /nfs/dbraw/zinc/00/85/99/555008599.db2.gz ZIIIETDULKSPPK-KRWDZBQOSA-N 0 0 477.948 4.983 40 0 JJABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3Cl)CC2=O)cc1 ZINC000009234660 555008602 /nfs/dbraw/zinc/00/86/02/555008602.db2.gz ZIIIETDULKSPPK-QGZVFWFLSA-N 0 0 477.948 4.983 40 0 JJABRN Cc1ccccc1Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2cc(Br)ccc21 ZINC000009287188 555060710 /nfs/dbraw/zinc/06/07/10/555060710.db2.gz YMSUEJHBHKDBHE-UHFFFAOYSA-N 0 0 455.739 4.925 40 0 JJABRN Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nn32)cc1 ZINC000009291948 555066806 /nfs/dbraw/zinc/06/68/06/555066806.db2.gz GJFXGDYIUYRCHK-LNRXMEIDSA-N 0 0 473.964 4.842 40 0 JJABRN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)nc3N2)cc1 ZINC000009346115 555112773 /nfs/dbraw/zinc/11/27/73/555112773.db2.gz AEUJEVGHYFMSPF-MBDNFAEBSA-N 0 0 489.963 4.542 40 0 JJABRN O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H]3C[C@H]([C@H]1S2)[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 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PTMLUILFGRUIPO-QHCPKHFHSA-N 0 0 498.580 4.531 40 0 JJABRN COc1cccc(N(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013494353 555404212 /nfs/dbraw/zinc/40/42/12/555404212.db2.gz MECDVYNNQROLAU-QFIPXVFZSA-N 0 0 468.554 4.523 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494768 555406363 /nfs/dbraw/zinc/40/63/63/555406363.db2.gz IVBBTAYZGLWCIP-RUZDIDTESA-N 0 0 482.588 4.926 40 0 JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495494 555408192 /nfs/dbraw/zinc/40/81/92/555408192.db2.gz XXQLJADZXNWFNE-BJKOFHAPSA-N 0 0 478.641 4.769 40 0 JJABRN Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496467 555411676 /nfs/dbraw/zinc/41/16/76/555411676.db2.gz MESIFZSHFJXZDJ-RUZDIDTESA-N 0 0 499.619 4.690 40 0 JJABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013497198 555412824 /nfs/dbraw/zinc/41/28/24/555412824.db2.gz ZZJBCSLHZWYAHY-HSZRJFAPSA-N 0 0 458.624 4.816 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013497659 555414260 /nfs/dbraw/zinc/41/42/60/555414260.db2.gz LFMGBJXUGQTLRJ-HSZRJFAPSA-N 0 0 482.627 4.972 40 0 JJABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1cccnc1)C(=O)Cc1cccs1 ZINC000013497872 555415942 /nfs/dbraw/zinc/41/59/42/555415942.db2.gz KPRYZSTZVAVCBH-SANMLTNESA-N 0 0 477.630 4.913 40 0 JJABRN COC(=O)c1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013498366 555420083 /nfs/dbraw/zinc/42/00/83/555420083.db2.gz KMBBNTRQMWCHPU-VWLOTQADSA-N 0 0 476.598 4.911 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498487 555421210 /nfs/dbraw/zinc/42/12/10/555421210.db2.gz RBWFZDDOFWTDLX-RUZDIDTESA-N 0 0 488.636 4.986 40 0 JJABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498664 555423347 /nfs/dbraw/zinc/42/33/47/555423347.db2.gz FIUTWZHBENUQSU-RUZDIDTESA-N 0 0 488.636 4.986 40 0 JJABRN COc1ccc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498744 555424319 /nfs/dbraw/zinc/42/43/19/555424319.db2.gz OHDVJMLVBSFAKY-SANMLTNESA-N 0 0 498.587 4.564 40 0 JJABRN Cc1cc2cc(CN(Cc3ccco3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498963 555426804 /nfs/dbraw/zinc/42/68/04/555426804.db2.gz KTHVVHRROQYZCZ-VWLOTQADSA-N 0 0 486.576 4.765 40 0 JJABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499129 555428453 /nfs/dbraw/zinc/42/84/53/555428453.db2.gz IEDKJRAHJOMPDJ-ZCYQVOJMSA-N 0 0 478.641 4.625 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499608 555433513 /nfs/dbraw/zinc/43/35/13/555433513.db2.gz YPNNXPSDEPAAMQ-VWLOTQADSA-N 0 0 486.576 4.909 40 0 JJABRN COc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@@H](C)CC5)cc(OC)c1 ZINC000013499732 555434380 /nfs/dbraw/zinc/43/43/80/555434380.db2.gz SMZMNWSPRLTWOY-LBPRGKRZSA-N 0 0 483.619 4.520 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cccc(C(C)=O)c4)n21)CC[C@@H](C)C3 ZINC000013499764 555434703 /nfs/dbraw/zinc/43/47/03/555434703.db2.gz QGPIKHJWCMWXLG-CYBMUJFWSA-N 0 0 479.631 4.960 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4F)n21)CC[C@@H](C)C3 ZINC000013499794 555434736 /nfs/dbraw/zinc/43/47/36/555434736.db2.gz DVPBTEAVDONBLI-GFCCVEGCSA-N 0 0 455.584 4.896 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(OC)ccc4OC)n21)CC[C@@H](C)C3 ZINC000013499756 555434773 /nfs/dbraw/zinc/43/47/73/555434773.db2.gz DIANXNNNRDEFJQ-CYBMUJFWSA-N 0 0 497.646 4.774 40 0 JJABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500404 555439821 /nfs/dbraw/zinc/43/98/21/555439821.db2.gz PAPSEXXRFVPVCW-UKILVPOCSA-N 0 0 478.641 4.625 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500402 555439863 /nfs/dbraw/zinc/43/98/63/555439863.db2.gz LBMKNRJQXLLTQD-LADGPHEKSA-N 0 0 480.657 4.655 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500847 555444914 /nfs/dbraw/zinc/44/49/14/555444914.db2.gz FRFZPFTVXRHRRQ-DEOSSOPVSA-N 0 0 473.625 4.907 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 ZINC000013501339 555449257 /nfs/dbraw/zinc/44/92/57/555449257.db2.gz IIJXATFYIYHOBB-AREMUKBSSA-N 0 0 476.552 4.547 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2ccccn2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501343 555449282 /nfs/dbraw/zinc/44/92/82/555449282.db2.gz PRAULHUNZXMPQH-AREMUKBSSA-N 0 0 476.552 4.547 40 0 JJABRN CC(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC000013501434 555449619 /nfs/dbraw/zinc/44/96/19/555449619.db2.gz CSGIMLPFYKIECN-RUZDIDTESA-N 0 0 496.970 4.892 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501756 555451165 /nfs/dbraw/zinc/45/11/65/555451165.db2.gz WPHXFKBFZLQSMZ-DEOSSOPVSA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2nccs2)c2ccccc2F)cc1 ZINC000013501833 555451757 /nfs/dbraw/zinc/45/17/57/555451757.db2.gz SOZPLQYBLCPGFY-HSZRJFAPSA-N 0 0 496.608 4.999 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502140 555452987 /nfs/dbraw/zinc/45/29/87/555452987.db2.gz UUPVGZQGEHJCJT-VWLOTQADSA-N 0 0 489.547 4.844 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 ZINC000013502139 555453038 /nfs/dbraw/zinc/45/30/38/555453038.db2.gz UUPVGZQGEHJCJT-RUZDIDTESA-N 0 0 489.547 4.844 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccccn2)c(OC)c1 ZINC000013502203 555453568 /nfs/dbraw/zinc/45/35/68/555453568.db2.gz CFHXVOKUIRYJEW-RUZDIDTESA-N 0 0 493.629 4.993 40 0 JJABRN COc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)cc1 ZINC000013502265 555454148 /nfs/dbraw/zinc/45/41/48/555454148.db2.gz AXNCSKKQWRCGLF-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(OC)c2)cc1 ZINC000013502348 555454562 /nfs/dbraw/zinc/45/45/62/555454562.db2.gz WJTVHCFUGIULMH-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 ZINC000013502425 555455296 /nfs/dbraw/zinc/45/52/96/555455296.db2.gz AMRHOGAXVLTEAX-SANMLTNESA-N 0 0 470.573 4.877 40 0 JJABRN CCCC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 ZINC000013503412 555460928 /nfs/dbraw/zinc/46/09/28/555460928.db2.gz MLEVZAUEWBQGTI-OAQYLSRUSA-N 0 0 470.639 4.508 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)[C@H](C(=O)NC2CCCC2)c2cccs2)n1 ZINC000013505623 555467335 /nfs/dbraw/zinc/46/73/35/555467335.db2.gz YYZXVMMFCXVVGB-QFIPXVFZSA-N 0 0 490.695 4.907 40 0 JJABRN Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)[C@H](C(=O)NC2CCCC2)c2ccccc2C)no1 ZINC000013505724 555467837 /nfs/dbraw/zinc/46/78/37/555467837.db2.gz MCMDZATYNQGHLY-SANMLTNESA-N 0 0 482.625 4.685 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000013506079 555469563 /nfs/dbraw/zinc/46/95/63/555469563.db2.gz DYHTUPADSQJJHJ-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1C ZINC000013506076 555469571 /nfs/dbraw/zinc/46/95/71/555469571.db2.gz SMQIUMZTPZXUMM-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013506184 555470350 /nfs/dbraw/zinc/47/03/50/555470350.db2.gz DDIGERSWVNOOHJ-VWLOTQADSA-N 0 0 475.614 4.620 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2F)cc1 ZINC000013506225 555470357 /nfs/dbraw/zinc/47/03/57/555470357.db2.gz GATZIAWPWCUZBE-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1C ZINC000013506437 555471595 /nfs/dbraw/zinc/47/15/95/555471595.db2.gz BFBGDBPNVPYAIV-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2cccc3ccccc32)o1 ZINC000013506634 555472903 /nfs/dbraw/zinc/47/29/03/555472903.db2.gz JGPYIGCUKQAFSQ-MHZLTWQESA-N 0 0 499.567 4.897 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013507008 555474853 /nfs/dbraw/zinc/47/48/53/555474853.db2.gz BAEOIXYOEFOCAK-AREMUKBSSA-N 0 0 491.563 4.599 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000013507713 555476714 /nfs/dbraw/zinc/47/67/14/555476714.db2.gz VJNBBCQZHPVTIL-XMMPIXPASA-N 0 0 479.602 4.603 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1C ZINC000013507731 555477038 /nfs/dbraw/zinc/47/70/38/555477038.db2.gz VLRPRIWTUMQPJE-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000013562421 555496819 /nfs/dbraw/zinc/49/68/19/555496819.db2.gz JDRJHTFPYIPZBV-BGYRXZFFSA-N 0 0 464.635 4.888 40 0 JJABRN COc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3NCc3ccc4c(c3)OCO4)cc2c1 ZINC000013563568 555498723 /nfs/dbraw/zinc/49/87/23/555498723.db2.gz IUPWGBBMMOJTPE-UHFFFAOYSA-N 0 0 474.904 4.846 40 0 JJABRN O=C(N1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013564759 555499784 /nfs/dbraw/zinc/49/97/84/555499784.db2.gz SAZRYEKNOZVWMZ-UHFFFAOYSA-N 0 0 473.602 4.948 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1Cl ZINC000013564774 555499838 /nfs/dbraw/zinc/49/98/38/555499838.db2.gz LFEHGGODXCFSAJ-UHFFFAOYSA-N 0 0 452.894 4.535 40 0 JJABRN Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 ZINC000013564923 555500295 /nfs/dbraw/zinc/50/02/95/555500295.db2.gz XZMQYYIBARVYIR-UHFFFAOYSA-N 0 0 459.506 4.503 40 0 JJABRN C[C@H]1CN(C(=O)c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)C[C@H](C)O1 ZINC000013565465 555502018 /nfs/dbraw/zinc/50/20/18/555502018.db2.gz IWCLDMDFRDKPRO-ROUUACIJSA-N 0 0 455.514 4.997 40 0 JJABRN O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000013566453 555503242 /nfs/dbraw/zinc/50/32/42/555503242.db2.gz JLNRLAOJTDSOGJ-UHFFFAOYSA-N 0 0 466.569 4.635 40 0 JJABRN O=C(CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1)c1ccc2c(c1)NC(=O)CO2 ZINC000013566763 555503485 /nfs/dbraw/zinc/50/34/85/555503485.db2.gz YCYJMMICXXQSQS-UHFFFAOYSA-N 0 0 490.491 4.790 40 0 JJABRN CC(C)OCCCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000019856277 555514736 /nfs/dbraw/zinc/51/47/36/555514736.db2.gz WBOMAHSBUHMJPW-UHFFFAOYSA-N 0 0 466.603 4.627 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000019856317 555515103 /nfs/dbraw/zinc/51/51/03/555515103.db2.gz HHMREOPBXLQYDT-UHFFFAOYSA-N 0 0 493.629 4.586 40 0 JJABRN CCN(CC)C(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000013584537 555522405 /nfs/dbraw/zinc/52/24/05/555522405.db2.gz VNYVTXGDTOQJJY-UHFFFAOYSA-N 0 0 481.437 4.971 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000013584825 555522570 /nfs/dbraw/zinc/52/25/70/555522570.db2.gz OTESHEFHBUXKBH-UHFFFAOYSA-N 0 0 452.576 4.872 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868292 555522787 /nfs/dbraw/zinc/52/27/87/555522787.db2.gz BWIFVAIBFOWQAC-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868656 555523070 /nfs/dbraw/zinc/52/30/70/555523070.db2.gz JDRQRYNAGFIWGK-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868704 555523345 /nfs/dbraw/zinc/52/33/45/555523345.db2.gz AJPCWBKMAOCZBD-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585425 555523685 /nfs/dbraw/zinc/52/36/85/555523685.db2.gz NGNTYYFHUBRXBY-QFIPXVFZSA-N 0 0 480.630 4.727 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NCC(C)C)cc2)cc1 ZINC000013585447 555523693 /nfs/dbraw/zinc/52/36/93/555523693.db2.gz BXHODSUEIWANFS-UHFFFAOYSA-N 0 0 466.603 4.542 40 0 JJABRN O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(Cl)c(Cl)c1 ZINC000019869092 555523882 /nfs/dbraw/zinc/52/38/82/555523882.db2.gz ZMCWQEXTXOQIMH-UHFFFAOYSA-N 0 0 451.306 4.947 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585957 555524288 /nfs/dbraw/zinc/52/42/88/555524288.db2.gz OZZHJSASYFESOF-UHFFFAOYSA-N 0 0 482.583 4.935 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612786 555535062 /nfs/dbraw/zinc/53/50/62/555535062.db2.gz KVEHTTXJDGMSEK-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN Cc1cc(Oc2coc3cc(OC[C@@H](O)CN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc(C)c1Cl ZINC000019912289 555538366 /nfs/dbraw/zinc/53/83/66/555538366.db2.gz CFBJYVZHHHPJHK-QRVBRYPASA-N 0 0 487.980 4.704 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013632639 555542509 /nfs/dbraw/zinc/54/25/09/555542509.db2.gz XMLIFKHNIGTJOW-QGZVFWFLSA-N 0 0 454.979 4.898 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000013633217 555543198 /nfs/dbraw/zinc/54/31/98/555543198.db2.gz SLDPFECDRLHJQV-UHFFFAOYSA-N 0 0 474.966 4.790 40 0 JJABRN O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4ccc(Br)cc4)nn3cc21 ZINC000013634282 555544040 /nfs/dbraw/zinc/54/40/40/555544040.db2.gz DQSMBKXGXUZIJQ-CYBMUJFWSA-N 0 0 455.337 4.685 40 0 JJABRN CCCC1=Nc2nc3ccccc3n2[C@H](c2ccc(OC)c(OC)c2OC)C1C(=O)OCC ZINC000013634930 555544307 /nfs/dbraw/zinc/54/43/07/555544307.db2.gz NUZIHMGKWBVCEE-OAQYLSRUSA-N 0 0 451.523 4.694 40 0 JJABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(C)nn3c2C)cc1 ZINC000013635771 555544969 /nfs/dbraw/zinc/54/49/69/555544969.db2.gz HHHNFLMDKSQZMJ-UHFFFAOYSA-N 0 0 450.340 4.985 40 0 JJABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1nnc(-c2cccc(C)c2)o1 ZINC000019929429 555546559 /nfs/dbraw/zinc/54/65/59/555546559.db2.gz GGEPQOIUQKXPCC-UHFFFAOYSA-N 0 0 451.552 4.557 40 0 JJABRN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019930921 555548015 /nfs/dbraw/zinc/54/80/15/555548015.db2.gz CENASPXFBXLPRU-KSFYIVLOSA-N 0 0 477.413 4.760 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)c(C)c1 ZINC000019931292 555548830 /nfs/dbraw/zinc/54/88/30/555548830.db2.gz QYPWHKGCXFATDU-DEOSSOPVSA-N 0 0 454.636 4.508 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013646818 555551104 /nfs/dbraw/zinc/55/11/04/555551104.db2.gz GOTCEJDMXIBTSP-SFHVURJKSA-N 0 0 485.005 4.912 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000013646921 555551437 /nfs/dbraw/zinc/55/14/37/555551437.db2.gz UDEHGNZAMBAMTQ-UHFFFAOYSA-N 0 0 466.603 4.866 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019934312 555551597 /nfs/dbraw/zinc/55/15/97/555551597.db2.gz AGQOGCCWUKJEBB-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000019934423 555551673 /nfs/dbraw/zinc/55/16/73/555551673.db2.gz NTPCWJPQZUHCHO-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000019934494 555551900 /nfs/dbraw/zinc/55/19/00/555551900.db2.gz YNXCVYVYCNAPFV-IBGZPJMESA-N 0 0 469.434 4.502 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(C)c(Cl)c2)cc1 ZINC000013647615 555551935 /nfs/dbraw/zinc/55/19/35/555551935.db2.gz ZTCDYZCZDBHJIT-UHFFFAOYSA-N 0 0 454.979 4.741 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000019938009 555555173 /nfs/dbraw/zinc/55/51/73/555555173.db2.gz LAYHIHDYWRIRKH-UHFFFAOYSA-N 0 0 496.482 4.996 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2Cl)cc1 ZINC000013669087 555558761 /nfs/dbraw/zinc/55/87/61/555558761.db2.gz PHOSDNAPCQVLLD-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1C ZINC000019940789 555559115 /nfs/dbraw/zinc/55/91/15/555559115.db2.gz ITLPTHXKKIGZJS-SANMLTNESA-N 0 0 468.605 4.784 40 0 JJABRN Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940772 555559156 /nfs/dbraw/zinc/55/91/56/555559156.db2.gz RCPPNLYPBXASDI-HHHXNRCGSA-N 0 0 497.647 4.548 40 0 JJABRN CCc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000013669928 555560224 /nfs/dbraw/zinc/56/02/24/555560224.db2.gz MMQDRHGEGNJZQG-UHFFFAOYSA-N 0 0 450.604 4.502 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000013670173 555560761 /nfs/dbraw/zinc/56/07/61/555560761.db2.gz HPOSMZVRUCLHDR-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000013670301 555560812 /nfs/dbraw/zinc/56/08/12/555560812.db2.gz SHBOEOQVSSMFPH-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019947588 555563766 /nfs/dbraw/zinc/56/37/66/555563766.db2.gz CVGFBHLZOATAJQ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013672087 555563913 /nfs/dbraw/zinc/56/39/13/555563913.db2.gz KZSOETSNEAHKES-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013672950 555564567 /nfs/dbraw/zinc/56/45/67/555564567.db2.gz GUIXJTMMNRCCEB-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000013673600 555565185 /nfs/dbraw/zinc/56/51/85/555565185.db2.gz SGKJZNMBSQETKL-AOXVDABRSA-N 0 0 478.658 4.898 40 0 JJABRN CCOc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013675470 555566591 /nfs/dbraw/zinc/56/65/91/555566591.db2.gz LMBQSPGQNQQWPO-UHFFFAOYSA-N 0 0 470.978 4.523 40 0 JJABRN O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013676934 555567814 /nfs/dbraw/zinc/56/78/14/555567814.db2.gz UTZCONMBYIPHCZ-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c(C)c1 ZINC000013678178 555569388 /nfs/dbraw/zinc/56/93/88/555569388.db2.gz BKMXJCWQMBWJIP-QFIPXVFZSA-N 0 0 456.951 4.552 40 0 JJABRN Cc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1NS(=O)(=O)c1ccccc1 ZINC000013678425 555569626 /nfs/dbraw/zinc/56/96/26/555569626.db2.gz QMZZXYJUKRVOPM-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013678731 555569879 /nfs/dbraw/zinc/56/98/79/555569879.db2.gz BHLDLSJNWMDRDA-HNNXBMFYSA-N 0 0 475.825 4.505 40 0 JJABRN CSc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)c1 ZINC000013680082 555572252 /nfs/dbraw/zinc/57/22/52/555572252.db2.gz PWWCFJIBOMGBNV-OAQYLSRUSA-N 0 0 474.991 4.657 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680445 555572882 /nfs/dbraw/zinc/57/28/82/555572882.db2.gz GLVABWVVZFMLKX-FQEVSTJZSA-N 0 0 477.369 4.730 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000013680455 555572916 /nfs/dbraw/zinc/57/29/16/555572916.db2.gz BYONEQIAOIXLTA-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013680885 555573500 /nfs/dbraw/zinc/57/35/00/555573500.db2.gz GFGKUBQNXCXPMS-CYBMUJFWSA-N 0 0 491.824 4.836 40 0 JJABRN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000013681050 555573809 /nfs/dbraw/zinc/57/38/09/555573809.db2.gz BDNZPYLHNXMRAC-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(OC)c1OC ZINC000009973438 555573928 /nfs/dbraw/zinc/57/39/28/555573928.db2.gz TWLGBUQYONWNMB-ODECOBMASA-N 0 0 460.530 4.855 40 0 JJABRN Cc1cccc(NC(SCc2ccc(Cl)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009973765 555575244 /nfs/dbraw/zinc/57/52/44/555575244.db2.gz JBOYWIWBHGMGPK-UHFFFAOYSA-N 0 0 464.374 4.909 40 0 JJABRN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013682689 555576232 /nfs/dbraw/zinc/57/62/32/555576232.db2.gz KIYWGYYRXXMPMC-SFHVURJKSA-N 0 0 459.439 4.542 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974024 555576732 /nfs/dbraw/zinc/57/67/32/555576732.db2.gz NSSQDUPJSLFHEN-GOSISDBHSA-N 0 0 479.440 4.613 40 0 JJABRN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1Cl ZINC000013683354 555577217 /nfs/dbraw/zinc/57/72/17/555577217.db2.gz FLLCWKPVZMDZJP-ZDUSSCGKSA-N 0 0 491.824 4.836 40 0 JJABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(C)c1Br ZINC000013683709 555577542 /nfs/dbraw/zinc/57/75/42/555577542.db2.gz ASYDNPQOEZURBH-UHFFFAOYSA-N 0 0 457.324 4.606 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000020004392 555577697 /nfs/dbraw/zinc/57/76/97/555577697.db2.gz NJGJHNYKLFVQCY-XMMPIXPASA-N 0 0 450.604 4.757 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000020004389 555577733 /nfs/dbraw/zinc/57/77/33/555577733.db2.gz NJGJHNYKLFVQCY-DEOSSOPVSA-N 0 0 450.604 4.757 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000020004422 555577761 /nfs/dbraw/zinc/57/77/61/555577761.db2.gz JZCXGZSNSWOCAH-XMMPIXPASA-N 0 0 450.604 4.757 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000020004482 555578070 /nfs/dbraw/zinc/57/80/70/555578070.db2.gz LYLRGONXAVSSJM-JOCHJYFZSA-N 0 0 456.995 4.794 40 0 JJABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974358 555578661 /nfs/dbraw/zinc/57/86/61/555578661.db2.gz MXODFGQPRBMPJG-LBPRGKRZSA-N 0 0 492.222 4.795 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000009974421 555578857 /nfs/dbraw/zinc/57/88/57/555578857.db2.gz RFICXMXAPYLYDS-CYBMUJFWSA-N 0 0 491.329 4.507 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)C2)cc1Cl ZINC000009974683 555579839 /nfs/dbraw/zinc/57/98/39/555579839.db2.gz ZMEQYEHMTUPZKU-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl ZINC000009974652 555579855 /nfs/dbraw/zinc/57/98/55/555579855.db2.gz NVPHWHCKOFMAET-KRWDZBQOSA-N 0 0 450.988 4.511 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013686537 555579918 /nfs/dbraw/zinc/57/99/18/555579918.db2.gz YZGYNRXJBDGJPW-DEOSSOPVSA-N 0 0 485.650 4.549 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C(C)C)cc1OC ZINC000020005688 555579927 /nfs/dbraw/zinc/57/99/27/555579927.db2.gz CWNNJRLDSHTRFM-HSZRJFAPSA-N 0 0 496.629 4.664 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000009974788 555580477 /nfs/dbraw/zinc/58/04/77/555580477.db2.gz OMUPLQUHXUVNHE-RUZDIDTESA-N 0 0 492.641 4.633 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020007317 555581921 /nfs/dbraw/zinc/58/19/21/555581921.db2.gz VUUHBXZNFGXSMR-HSZRJFAPSA-N 0 0 480.630 4.657 40 0 JJABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020008414 555583062 /nfs/dbraw/zinc/58/30/62/555583062.db2.gz PVGODXIENAGVGX-HXUWFJFHSA-N 0 0 484.446 4.512 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 ZINC000020009090 555583932 /nfs/dbraw/zinc/58/39/32/555583932.db2.gz GURUGJAYDSFNLE-DEOSSOPVSA-N 0 0 480.630 4.657 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000020009609 555585228 /nfs/dbraw/zinc/58/52/28/555585228.db2.gz IJLYSTWSVIYJTD-LJQANCHMSA-N 0 0 479.385 4.530 40 0 JJABRN Cc1ccc(CN(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020011489 555587564 /nfs/dbraw/zinc/58/75/64/555587564.db2.gz MBCABOGEPJJZEO-SANMLTNESA-N 0 0 462.615 4.688 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011843 555587854 /nfs/dbraw/zinc/58/78/54/555587854.db2.gz KXVNBOWCNQRAES-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020012047 555588120 /nfs/dbraw/zinc/58/81/20/555588120.db2.gz LZYNPKPPCKHLJM-KRWDZBQOSA-N 0 0 490.984 4.556 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000020012550 555588674 /nfs/dbraw/zinc/58/86/74/555588674.db2.gz FNEMILLBJNWSPH-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccccc1CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012707 555588883 /nfs/dbraw/zinc/58/88/83/555588883.db2.gz CPOFBNJWDMNRHT-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2cccc(C)c2)cc1 ZINC000020012622 555588891 /nfs/dbraw/zinc/58/88/91/555588891.db2.gz CWWNLQNMRXDORE-SANMLTNESA-N 0 0 462.615 4.688 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccccc2)c(C)c1 ZINC000020012799 555589188 /nfs/dbraw/zinc/58/91/88/555589188.db2.gz ZZMILXJFYXTKNR-UHFFFAOYSA-N 0 0 454.567 4.889 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711691 555589248 /nfs/dbraw/zinc/58/92/48/555589248.db2.gz FEDLCMAYWPFHRD-QFIPXVFZSA-N 0 0 470.978 4.754 40 0 JJABRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000010000193 555589834 /nfs/dbraw/zinc/58/98/34/555589834.db2.gz SHRNAWKQTFMZHX-NDENLUEZSA-N 0 0 471.465 4.686 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712613 555589955 /nfs/dbraw/zinc/58/99/55/555589955.db2.gz LOWZQKJYUQBVDR-INIZCTEOSA-N 0 0 480.211 4.939 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712742 555590227 /nfs/dbraw/zinc/59/02/27/555590227.db2.gz HEICAHOXJCQFKN-QFIPXVFZSA-N 0 0 492.041 4.540 40 0 JJABRN CCOc1cc(/C=C2/N=C(c3ccccc3OC)OC2=O)ccc1OC(=O)c1ccccc1OC ZINC000010002149 555590271 /nfs/dbraw/zinc/59/02/71/555590271.db2.gz XDFFCRQZNZOPLJ-HMMYKYKNSA-N 0 0 473.481 4.666 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713420 555590802 /nfs/dbraw/zinc/59/08/02/555590802.db2.gz KAHZGLLKAFUFBY-XMMPIXPASA-N 0 0 452.576 4.757 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713475 555590860 /nfs/dbraw/zinc/59/08/60/555590860.db2.gz LLCVKUDGIICCFM-HXUWFJFHSA-N 0 0 489.490 4.896 40 0 JJABRN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc2c(c1)OCO2 ZINC000010003756 555590779 /nfs/dbraw/zinc/59/07/79/555590779.db2.gz QNYPBDUFGSSSCK-UHFFFAOYSA-N 0 0 467.890 4.709 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cc(F)ccc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020015123 555591134 /nfs/dbraw/zinc/59/11/34/555591134.db2.gz VMAJGWJAYUNQKA-UHFFFAOYSA-N 0 0 486.565 4.684 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714330 555591655 /nfs/dbraw/zinc/59/16/55/555591655.db2.gz LCBKKXZDDNRKGC-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CCCC1 ZINC000010009888 555591786 /nfs/dbraw/zinc/59/17/86/555591786.db2.gz NZDYFGNEMVYDPG-UHFFFAOYSA-N 0 0 456.395 4.534 40 0 JJABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)sc2c1CCCC2 ZINC000013714700 555592282 /nfs/dbraw/zinc/59/22/82/555592282.db2.gz DKQVCXJFMMAMQG-QGZVFWFLSA-N 0 0 499.054 4.640 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4cc(C)ccc4C(C)C)c3)nn12 ZINC000010010351 555592544 /nfs/dbraw/zinc/59/25/44/555592544.db2.gz ZZRKNDXLHMBOOM-UHFFFAOYSA-N 0 0 465.579 4.873 40 0 JJABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020016465 555592536 /nfs/dbraw/zinc/59/25/36/555592536.db2.gz PMVFGMKRULOBJD-UHFFFAOYSA-N 0 0 464.868 4.537 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000010010521 555592758 /nfs/dbraw/zinc/59/27/58/555592758.db2.gz DLQIXPCYNVPHIS-ZDUSSCGKSA-N 0 0 470.784 4.721 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716265 555593607 /nfs/dbraw/zinc/59/36/07/555593607.db2.gz FTHNNMWJQDTYBR-OAQYLSRUSA-N 0 0 469.072 4.551 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020020801 555597804 /nfs/dbraw/zinc/59/78/04/555597804.db2.gz HTUDSHHFTCKNDC-UHFFFAOYSA-N 0 0 494.466 4.613 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1Cl ZINC000020021106 555598106 /nfs/dbraw/zinc/59/81/06/555598106.db2.gz VVCZDABXFQFHLD-UHFFFAOYSA-N 0 0 462.930 4.914 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020021951 555599369 /nfs/dbraw/zinc/59/93/69/555599369.db2.gz NGKFYNNWKIZVRI-GOSISDBHSA-N 0 0 485.005 4.656 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(C)c2)cc1C ZINC000020022606 555600273 /nfs/dbraw/zinc/60/02/73/555600273.db2.gz UBQHSHZRYWEJMP-UHFFFAOYSA-N 0 0 460.502 4.708 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000020022821 555600625 /nfs/dbraw/zinc/60/06/25/555600625.db2.gz QWGYSVDRUCJTAD-UHFFFAOYSA-N 0 0 496.894 4.526 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(Cl)c2)cc1 ZINC000020023317 555601197 /nfs/dbraw/zinc/60/11/97/555601197.db2.gz GUBAMWNQROFWJR-UHFFFAOYSA-N 0 0 478.929 4.614 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000020023816 555601734 /nfs/dbraw/zinc/60/17/34/555601734.db2.gz MTWCMNLOZCEEGJ-VQTJNVASSA-N 0 0 466.603 4.545 40 0 JJABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020024240 555602345 /nfs/dbraw/zinc/60/23/45/555602345.db2.gz MAMVZFILIWGTDH-UHFFFAOYSA-N 0 0 482.446 4.984 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000020024633 555602646 /nfs/dbraw/zinc/60/26/46/555602646.db2.gz QWAKKSVFJDIDHJ-HXUWFJFHSA-N 0 0 478.614 4.647 40 0 JJABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000010039340 555604653 /nfs/dbraw/zinc/60/46/53/555604653.db2.gz FFUPDOOAWJGGTB-WUXMJOGZSA-N 0 0 456.907 4.521 40 0 JJABRN O=C(CNC(=O)c1ccc(Br)cc1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041255 555605579 /nfs/dbraw/zinc/60/55/79/555605579.db2.gz PTAKPUZOLNZNGW-QFIPXVFZSA-N 0 0 486.749 5.000 40 0 JJABRN O=C(CNC(=O)c1ccc(Br)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010041253 555605597 /nfs/dbraw/zinc/60/55/97/555605597.db2.gz PTAKPUZOLNZNGW-JOCHJYFZSA-N 0 0 486.749 5.000 40 0 JJABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1OC ZINC000010041110 555605612 /nfs/dbraw/zinc/60/56/12/555605612.db2.gz KUFKFVDCVXBMRP-WEVVVXLNSA-N 0 0 493.416 4.761 40 0 JJABRN COc1cc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(OC)c1OC ZINC000010041959 555606482 /nfs/dbraw/zinc/60/64/82/555606482.db2.gz PCNUPHKBUTXCEE-UNOMPAQXSA-N 0 0 493.899 4.930 40 0 JJABRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000010042146 555606515 /nfs/dbraw/zinc/60/65/15/555606515.db2.gz MYUSYPULTGSEII-NDENLUEZSA-N 0 0 471.465 4.686 40 0 JJABRN CC(C)CCn1c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2c2ccccc2c1=O ZINC000010058626 555607795 /nfs/dbraw/zinc/60/77/95/555607795.db2.gz SSZDJDVCWFMCNE-UHFFFAOYSA-N 0 0 463.607 4.945 40 0 JJABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000020036768 555611145 /nfs/dbraw/zinc/61/11/45/555611145.db2.gz FUXOHXPYDZOJMU-UHFFFAOYSA-N 0 0 467.827 4.682 40 0 JJABRN CSc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(C)cc2)cc1 ZINC000020038224 555612166 /nfs/dbraw/zinc/61/21/66/555612166.db2.gz LKFWYIICVIIGRC-SFHVURJKSA-N 0 0 472.607 4.929 40 0 JJABRN C[C@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000020038402 555612448 /nfs/dbraw/zinc/61/24/48/555612448.db2.gz PDJXCTBBDMTYKE-INIZCTEOSA-N 0 0 491.382 4.661 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020044247 555615566 /nfs/dbraw/zinc/61/55/66/555615566.db2.gz HPQZXMMJTHSTAD-SANMLTNESA-N 0 0 464.631 4.964 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000020047236 555617674 /nfs/dbraw/zinc/61/76/74/555617674.db2.gz MVQIMDWEVBKKDE-QGZVFWFLSA-N 0 0 450.560 4.926 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC ZINC000020049336 555618768 /nfs/dbraw/zinc/61/87/68/555618768.db2.gz XCIUQPJKUNKMOM-HNNXBMFYSA-N 0 0 490.578 4.763 40 0 JJABRN CC(C)Oc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020049152 555618802 /nfs/dbraw/zinc/61/88/02/555618802.db2.gz SHJBMXVFOYWQJI-UHFFFAOYSA-N 0 0 458.967 4.858 40 0 JJABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1C ZINC000020050754 555620046 /nfs/dbraw/zinc/62/00/46/555620046.db2.gz UKLJIXJYLGBZFX-BWKNWUBXSA-N 0 0 450.604 4.672 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCCCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110436 555620175 /nfs/dbraw/zinc/62/01/75/555620175.db2.gz HUJRJJNZBKUOAM-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000010110427 555620258 /nfs/dbraw/zinc/62/02/58/555620258.db2.gz WAZDVHZDFJHHGQ-UHFFFAOYSA-N 0 0 464.631 4.810 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2cccc(C)c2C)cc1 ZINC000010110722 555620852 /nfs/dbraw/zinc/62/08/52/555620852.db2.gz GDOLCELSDYQWIF-UHFFFAOYSA-N 0 0 464.631 4.865 40 0 JJABRN CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000020098323 555632941 /nfs/dbraw/zinc/63/29/41/555632941.db2.gz ALRDNAJHXXHHEE-DEOSSOPVSA-N 0 0 498.660 4.888 40 0 JJABRN CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000020098750 555633498 /nfs/dbraw/zinc/63/34/98/555633498.db2.gz NHTFVAXOUPINIM-VXKWHMMOSA-N 0 0 457.981 4.991 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000010128335 555633972 /nfs/dbraw/zinc/63/39/72/555633972.db2.gz ZWYNGCMBAOFIQU-HXUWFJFHSA-N 0 0 463.386 4.830 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000010128603 555634209 /nfs/dbraw/zinc/63/42/09/555634209.db2.gz NRSRBXBBPBNRQL-QHCPKHFHSA-N 0 0 456.995 4.992 40 0 JJABRN CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128771 555634559 /nfs/dbraw/zinc/63/45/59/555634559.db2.gz COZSUOGUASOBRY-HSZRJFAPSA-N 0 0 471.022 4.993 40 0 JJABRN COCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000010132997 555635819 /nfs/dbraw/zinc/63/58/19/555635819.db2.gz WEGPSJUZQSOXOF-UHFFFAOYSA-N 0 0 451.379 4.553 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020104228 555636499 /nfs/dbraw/zinc/63/64/99/555636499.db2.gz ZTTBMNHJQNSWCO-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020104759 555637470 /nfs/dbraw/zinc/63/74/70/555637470.db2.gz VVVDTONNWRCGPC-UHFFFAOYSA-N 0 0 458.967 4.730 40 0 JJABRN COCc1nn2c(nnc3c2C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156927 555638232 /nfs/dbraw/zinc/63/82/32/555638232.db2.gz HIUOIQHCJPWTPU-MRXNPFEDSA-N 0 0 478.936 4.521 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC ZINC000020105136 555638395 /nfs/dbraw/zinc/63/83/95/555638395.db2.gz DDXFAPUSAFIHKZ-UHFFFAOYSA-N 0 0 486.615 4.852 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020105566 555639312 /nfs/dbraw/zinc/63/93/12/555639312.db2.gz GUWPGFDXYTZKHA-UHFFFAOYSA-N 0 0 457.939 4.660 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020106958 555640540 /nfs/dbraw/zinc/64/05/40/555640540.db2.gz YKABMLTYDLUDKL-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000020107474 555641135 /nfs/dbraw/zinc/64/11/35/555641135.db2.gz OHFCZYPKOTVKSR-MRXNPFEDSA-N 0 0 472.588 4.624 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000020107446 555641265 /nfs/dbraw/zinc/64/12/65/555641265.db2.gz BILRCQZOIMITTL-UTKZUKDTSA-N 0 0 469.434 4.803 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020107612 555641533 /nfs/dbraw/zinc/64/15/33/555641533.db2.gz PPKXEIHIMSSBAE-JPYJTQIMSA-N 0 0 456.995 4.709 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020107613 555641581 /nfs/dbraw/zinc/64/15/81/555641581.db2.gz PPKXEIHIMSSBAE-MBSDFSHPSA-N 0 0 456.995 4.709 40 0 JJABRN O=S(=O)(Nc1ccc(I)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020107870 555642258 /nfs/dbraw/zinc/64/22/58/555642258.db2.gz MSWAGSZBYNPSDT-UHFFFAOYSA-N 0 0 451.285 4.884 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020108340 555643174 /nfs/dbraw/zinc/64/31/74/555643174.db2.gz HWQOHDQXVJSFEQ-UHFFFAOYSA-N 0 0 471.966 4.533 40 0 JJABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OCC ZINC000020108471 555643443 /nfs/dbraw/zinc/64/34/43/555643443.db2.gz KQXOKEVSCNDRPV-UHFFFAOYSA-N 0 0 468.575 4.856 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000020108555 555643488 /nfs/dbraw/zinc/64/34/88/555643488.db2.gz BXHREPRGPBCVME-IBGZPJMESA-N 0 0 468.575 4.909 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 ZINC000020109063 555644587 /nfs/dbraw/zinc/64/45/87/555644587.db2.gz DSLHODXCNQZZHS-MHZLTWQESA-N 0 0 460.599 4.832 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000020110488 555646502 /nfs/dbraw/zinc/64/65/02/555646502.db2.gz RPIGBXXFWGHJHQ-OAHLLOKOSA-N 0 0 460.552 4.754 40 0 JJABRN COc1cccc([C@H]2C3=C(N=c4s/c(=C\C=C\c5ccccc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000013915798 555647287 /nfs/dbraw/zinc/64/72/87/555647287.db2.gz WNYOSULUGSDRNC-PNQHHWAASA-N 0 0 476.601 4.992 40 0 JJABRN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\C=C\c5ccccc5)c(=O)n42)c2ccccc2CC3)c1 ZINC000013915796 555647310 /nfs/dbraw/zinc/64/73/10/555647310.db2.gz WNYOSULUGSDRNC-FUGWHRGVSA-N 0 0 476.601 4.992 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000020110958 555647401 /nfs/dbraw/zinc/64/74/01/555647401.db2.gz YIXGESKTFVPUIW-AEFFLSMTSA-N 0 0 469.434 4.721 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020110966 555647441 /nfs/dbraw/zinc/64/74/41/555647441.db2.gz BBVDTJZADHOHBL-UHFFFAOYSA-N 0 0 487.021 4.819 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1OC ZINC000020111898 555648990 /nfs/dbraw/zinc/64/89/90/555648990.db2.gz UNQICRPMFUQKMD-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992610 555668017 /nfs/dbraw/zinc/66/80/17/555668017.db2.gz BTLLNUIUTZNEGJ-GOSISDBHSA-N 0 0 454.548 4.601 40 0 JJABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000014006262 555668282 /nfs/dbraw/zinc/66/82/82/555668282.db2.gz MDMMLOXWQJRCBL-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000014019084 555672057 /nfs/dbraw/zinc/67/20/57/555672057.db2.gz DUGOHWWEMMHZFF-LJQANCHMSA-N 0 0 482.989 4.610 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010281528 555672606 /nfs/dbraw/zinc/67/26/06/555672606.db2.gz AGNQHDNVLNEMKU-XMMPIXPASA-N 0 0 470.591 4.856 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)C2)cc1 ZINC000014022689 555673668 /nfs/dbraw/zinc/67/36/68/555673668.db2.gz KCTFLXVGFYLVLB-FQEVSTJZSA-N 0 0 497.016 4.919 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1 ZINC000014022811 555673729 /nfs/dbraw/zinc/67/37/29/555673729.db2.gz VZIYUJJCMMACQP-RUZDIDTESA-N 0 0 462.615 4.625 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cccc(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010294384 555674660 /nfs/dbraw/zinc/67/46/60/555674660.db2.gz NXBANWQQBUBZKR-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294374 555674758 /nfs/dbraw/zinc/67/47/58/555674758.db2.gz DPNYLFOFIAGHTR-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)c1 ZINC000010295173 555675227 /nfs/dbraw/zinc/67/52/27/555675227.db2.gz JTHMSRWHFBCOHC-UHFFFAOYSA-N 0 0 456.589 4.885 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccccc2OCC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300264 555677219 /nfs/dbraw/zinc/67/72/19/555677219.db2.gz AIJLEHRGQBKSFU-UHFFFAOYSA-N 0 0 498.601 4.635 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300593 555677607 /nfs/dbraw/zinc/67/76/07/555677607.db2.gz ZIUGEOFGWCKDGM-UHFFFAOYSA-N 0 0 474.529 4.678 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)Cc2ccccc2)cc1C ZINC000010301570 555678149 /nfs/dbraw/zinc/67/81/49/555678149.db2.gz NVRBQQWVHZBBQM-UHFFFAOYSA-N 0 0 474.529 4.502 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C ZINC000010314169 555679457 /nfs/dbraw/zinc/67/94/57/555679457.db2.gz IPSMAPSIUYFCIC-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000020168864 555679600 /nfs/dbraw/zinc/67/96/00/555679600.db2.gz XDAOLQMJXBFTED-JOCHJYFZSA-N 0 0 481.524 4.501 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)n2C)cc1 ZINC000014082923 555682088 /nfs/dbraw/zinc/68/20/88/555682088.db2.gz ZLJSOSBPULTPHB-UHFFFAOYSA-N 0 0 451.577 4.653 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1OC ZINC000014083344 555682358 /nfs/dbraw/zinc/68/23/58/555682358.db2.gz ZWESOVXMIBEIDD-UHFFFAOYSA-N 0 0 453.351 4.537 40 0 JJABRN COc1cc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c(OC)cc1Cl ZINC000010325189 555683977 /nfs/dbraw/zinc/68/39/77/555683977.db2.gz GQINTZCMXICWEL-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326953 555685705 /nfs/dbraw/zinc/68/57/05/555685705.db2.gz BWMQIAAGBLKLOP-SFHVURJKSA-N 0 0 450.560 4.704 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000010329678 555687056 /nfs/dbraw/zinc/68/70/56/555687056.db2.gz FILAKRPRNVBQAS-SFTDATJTSA-N 0 0 493.629 4.588 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1Cl ZINC000010331176 555687715 /nfs/dbraw/zinc/68/77/15/555687715.db2.gz SGTUJUJTDUBILT-JTQLQIEISA-N 0 0 485.311 4.814 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010335759 555691013 /nfs/dbraw/zinc/69/10/13/555691013.db2.gz GODGFMODCCZSEL-UHFFFAOYSA-N 0 0 497.592 4.574 40 0 JJABRN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)c1 ZINC000014117173 555692397 /nfs/dbraw/zinc/69/23/97/555692397.db2.gz KQQZKRMZVCNOGU-UHFFFAOYSA-N 0 0 450.486 4.761 40 0 JJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000010360748 555696716 /nfs/dbraw/zinc/69/67/16/555696716.db2.gz GHSNIUSEYXDOGN-SFHVURJKSA-N 0 0 465.575 4.576 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000010361021 555696782 /nfs/dbraw/zinc/69/67/82/555696782.db2.gz HZNBHKSQVITIAK-LJQANCHMSA-N 0 0 479.602 4.885 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010361981 555697085 /nfs/dbraw/zinc/69/70/85/555697085.db2.gz PKTZKVIGGZQFSE-GOSISDBHSA-N 0 0 497.592 4.573 40 0 JJABRN COc1ccc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1Cl ZINC000010365948 555697960 /nfs/dbraw/zinc/69/79/60/555697960.db2.gz FVPYQYZBHUGQRC-UHFFFAOYSA-N 0 0 458.967 4.876 40 0 JJABRN CCCCc1ccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000010369775 555699043 /nfs/dbraw/zinc/69/90/43/555699043.db2.gz IMQUIIUDQDVNQP-UHFFFAOYSA-N 0 0 453.004 4.876 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)S(C)(=O)=O)c1 ZINC000010371911 555700049 /nfs/dbraw/zinc/70/00/49/555700049.db2.gz LCHJYJMYRWOJCP-UHFFFAOYSA-N 0 0 473.392 4.976 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000010373275 555700524 /nfs/dbraw/zinc/70/05/24/555700524.db2.gz IYYRCIRXLAYMSH-UHFFFAOYSA-N 0 0 468.600 4.883 40 0 JJABRN COc1ccc(OC)c(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc32)c1 ZINC000010381867 555701949 /nfs/dbraw/zinc/70/19/49/555701949.db2.gz GOVCLKXDVKXXNR-UHFFFAOYSA-N 0 0 462.571 4.839 40 0 JJABRN CSc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014135523 555703602 /nfs/dbraw/zinc/70/36/02/555703602.db2.gz RJKBUVBEIMXIMR-UHFFFAOYSA-N 0 0 475.035 4.934 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000010441151 555710779 /nfs/dbraw/zinc/71/07/79/555710779.db2.gz WKBGMIVPLXARSO-UHFFFAOYSA-N 0 0 486.977 4.735 40 0 JJABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014154142 555710872 /nfs/dbraw/zinc/71/08/72/555710872.db2.gz CXRUNKPQAGMKFU-UHFFFAOYSA-N 0 0 485.993 4.556 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000010447662 555713854 /nfs/dbraw/zinc/71/38/54/555713854.db2.gz GHUFUNBUGWHJCY-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000014155610 555713994 /nfs/dbraw/zinc/71/39/94/555713994.db2.gz LSPTXDWZYWNGRH-MRXNPFEDSA-N 0 0 489.490 4.814 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cccc(Cl)c2C)cc1 ZINC000010447742 555714225 /nfs/dbraw/zinc/71/42/25/555714225.db2.gz HDXBYVOFPJTGNC-UHFFFAOYSA-N 0 0 456.995 4.777 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000014155729 555714323 /nfs/dbraw/zinc/71/43/23/555714323.db2.gz MXIXPIYBWPPARI-AREMUKBSSA-N 0 0 477.586 4.836 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010448601 555714477 /nfs/dbraw/zinc/71/44/77/555714477.db2.gz NCTPRMHNCPDVTK-UHFFFAOYSA-N 0 0 466.603 4.522 40 0 JJABRN C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010449831 555716162 /nfs/dbraw/zinc/71/61/62/555716162.db2.gz RHLYDKHUMTXUIF-OALUTQOASA-N 0 0 450.560 4.611 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000020234045 555725242 /nfs/dbraw/zinc/72/52/42/555725242.db2.gz CFUMMDOKPZENBE-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCSc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020234558 555726571 /nfs/dbraw/zinc/72/65/71/555726571.db2.gz FTMPHIYUGZDJPM-UHFFFAOYSA-N 0 0 475.035 4.752 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2cc(C)ccc2C)cc1 ZINC000020235047 555727127 /nfs/dbraw/zinc/72/71/27/555727127.db2.gz UBCWZEOPKIZEGS-UHFFFAOYSA-N 0 0 468.644 4.716 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020235821 555728693 /nfs/dbraw/zinc/72/86/93/555728693.db2.gz CEUGJJUVICDUJH-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN COc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020236054 555729162 /nfs/dbraw/zinc/72/91/62/555729162.db2.gz FICLFXIVIMGUPA-UHFFFAOYSA-N 0 0 493.412 4.822 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020236126 555729400 /nfs/dbraw/zinc/72/94/00/555729400.db2.gz LBFVUVHBUQSTET-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000010630588 555729838 /nfs/dbraw/zinc/72/98/38/555729838.db2.gz QUSFYPNPSFAPJL-UHFFFAOYSA-N 0 0 456.178 4.950 40 0 JJABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1C ZINC000010693101 555733713 /nfs/dbraw/zinc/73/37/13/555733713.db2.gz YPGIXJUNQVOCQC-UHFFFAOYSA-N 0 0 455.407 4.791 40 0 JJABRN CSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693601 555734068 /nfs/dbraw/zinc/73/40/68/555734068.db2.gz JVCLKURWGZKQRD-UHFFFAOYSA-N 0 0 473.447 4.896 40 0 JJABRN CC(C)C(NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)C(C)C ZINC000020239873 555734527 /nfs/dbraw/zinc/73/45/27/555734527.db2.gz YEIZAPIDAWXQGS-UHFFFAOYSA-N 0 0 457.423 4.986 40 0 JJABRN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000020248929 555743042 /nfs/dbraw/zinc/74/30/42/555743042.db2.gz WGTUIGBOAWKAHM-QHCPKHFHSA-N 0 0 494.016 4.922 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000010977792 555751050 /nfs/dbraw/zinc/75/10/50/555751050.db2.gz HFUIKTDAOJWMRK-IBGZPJMESA-N 0 0 452.576 4.710 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000014269713 555760188 /nfs/dbraw/zinc/76/01/88/555760188.db2.gz IRDWFXNHPDCEGT-UHFFFAOYSA-N 0 0 465.966 4.826 40 0 JJABRN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000014269847 555760327 /nfs/dbraw/zinc/76/03/27/555760327.db2.gz JGOFSGDCRMFEPS-UHFFFAOYSA-N 0 0 465.316 4.568 40 0 JJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000014270438 555762617 /nfs/dbraw/zinc/76/26/17/555762617.db2.gz LADHCDOUEAKJBH-UHFFFAOYSA-N 0 0 452.923 4.987 40 0 JJABRN O=C(NC(=S)Nc1ccc(I)cc1F)c1cccc2ccccc21 ZINC000014271047 555764633 /nfs/dbraw/zinc/76/46/33/555764633.db2.gz RGNUTLVBJYOLOR-UHFFFAOYSA-N 0 0 450.276 4.710 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)c(C)c1 ZINC000014272791 555770982 /nfs/dbraw/zinc/77/09/82/555770982.db2.gz ZBNPXTOCNRAYRW-UHFFFAOYSA-N 0 0 471.561 4.907 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000014272779 555771006 /nfs/dbraw/zinc/77/10/06/555771006.db2.gz FJUDTHDYOQRBED-UHFFFAOYSA-N 0 0 459.550 4.845 40 0 JJABRN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000014273057 555771897 /nfs/dbraw/zinc/77/18/97/555771897.db2.gz CENBPHKQVASOEV-UHFFFAOYSA-N 0 0 456.283 4.725 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2Cl)CC1 ZINC000014273403 555773068 /nfs/dbraw/zinc/77/30/68/555773068.db2.gz REUBHHWHTBDLAJ-UHFFFAOYSA-N 0 0 464.393 4.686 40 0 JJABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 ZINC000014273972 555775384 /nfs/dbraw/zinc/77/53/84/555775384.db2.gz NORJJCCKEQIVFF-UHFFFAOYSA-N 0 0 478.647 4.517 40 0 JJABRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 ZINC000014275297 555780429 /nfs/dbraw/zinc/78/04/29/555780429.db2.gz XCYGCLWGYNKAEV-UHFFFAOYSA-N 0 0 477.567 4.870 40 0 JJABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3Cl)n2C)cc1 ZINC000011452056 555781741 /nfs/dbraw/zinc/78/17/41/555781741.db2.gz FXFMMSPXCBOASU-UHFFFAOYSA-N 0 0 467.776 4.637 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1cccs1 ZINC000014276030 555782540 /nfs/dbraw/zinc/78/25/40/555782540.db2.gz WHTUPPNKYMUYIU-UHFFFAOYSA-N 0 0 490.404 4.898 40 0 JJABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3Br)c2C(N)=O)C1 ZINC000014276508 555784015 /nfs/dbraw/zinc/78/40/15/555784015.db2.gz JWRHXXPFKSGACO-NSHDSACASA-N 0 0 494.480 4.887 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 ZINC000014276779 555784489 /nfs/dbraw/zinc/78/44/89/555784489.db2.gz BBJIHIJYFQXURQ-UHFFFAOYSA-N 0 0 479.433 4.569 40 0 JJABRN COc1ccc(-c2nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3o2)cc1OC ZINC000020411955 555789606 /nfs/dbraw/zinc/78/96/06/555789606.db2.gz PSQRPLGOVJMEBE-UHFFFAOYSA-N 0 0 464.474 4.790 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000014279194 555790545 /nfs/dbraw/zinc/79/05/45/555790545.db2.gz MVNXINRJTSYFIJ-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)c(Cl)c2)cc1Br ZINC000014279246 555790835 /nfs/dbraw/zinc/79/08/35/555790835.db2.gz OIXLLHQQXSQNHV-UHFFFAOYSA-N 0 0 494.817 4.812 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 ZINC000014279327 555791103 /nfs/dbraw/zinc/79/11/03/555791103.db2.gz RMWDTYJIYYOXSA-UHFFFAOYSA-N 0 0 482.378 4.532 40 0 JJABRN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000014291258 555792848 /nfs/dbraw/zinc/79/28/48/555792848.db2.gz ZCWJSUDCGGXLMK-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000020528607 555792967 /nfs/dbraw/zinc/79/29/67/555792967.db2.gz MZTNSNSVJALMKV-UHFFFAOYSA-N 0 0 464.393 4.706 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3ccc(OC)cc3)o1)CCCC2 ZINC000011648694 555794001 /nfs/dbraw/zinc/79/40/01/555794001.db2.gz UOCMXPSPCFXYIA-UHFFFAOYSA-N 0 0 487.603 4.517 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Br)cc3)CC2)c(C)c1 ZINC000014391004 555801599 /nfs/dbraw/zinc/80/15/99/555801599.db2.gz WQLYIKDLOLCSEM-SFHVURJKSA-N 0 0 493.467 4.652 40 0 JJABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)S(C)(=O)=O)c1 ZINC000014396312 555801948 /nfs/dbraw/zinc/80/19/48/555801948.db2.gz HROWKKKBNROSEE-UHFFFAOYSA-N 0 0 485.650 4.505 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000014397953 555803576 /nfs/dbraw/zinc/80/35/76/555803576.db2.gz RFUOMAXQJSYMOG-UHFFFAOYSA-N 0 0 474.966 4.947 40 0 JJABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000014397813 555803637 /nfs/dbraw/zinc/80/36/37/555803637.db2.gz QMJBATBBKQYPGK-LJQANCHMSA-N 0 0 458.624 4.955 40 0 JJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)Cc2ccc3oc(=O)oc3c2)c1 ZINC000014405086 555807665 /nfs/dbraw/zinc/80/76/65/555807665.db2.gz IKOHPUBOQUZVSL-UHFFFAOYSA-N 0 0 482.496 4.622 40 0 JJABRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000014405557 555807953 /nfs/dbraw/zinc/80/79/53/555807953.db2.gz FLQWFRXXUPJVHU-UHFFFAOYSA-N 0 0 480.565 4.830 40 0 JJABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000014410936 555810040 /nfs/dbraw/zinc/81/00/40/555810040.db2.gz OLZIFDPXBZGISL-UHFFFAOYSA-N 0 0 481.318 4.561 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000014412745 555812046 /nfs/dbraw/zinc/81/20/46/555812046.db2.gz OXZPGEFPRYCNFM-UHFFFAOYSA-N 0 0 494.491 4.557 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000014413638 555812948 /nfs/dbraw/zinc/81/29/48/555812948.db2.gz NJUKLUBUNOTMGA-UHFFFAOYSA-N 0 0 480.586 4.541 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cc1 ZINC000014413566 555812958 /nfs/dbraw/zinc/81/29/58/555812958.db2.gz WWYBLUBPPPMFGB-UHFFFAOYSA-N 0 0 466.456 4.987 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414732 555813545 /nfs/dbraw/zinc/81/35/45/555813545.db2.gz GNGGCDAFWGISBE-UHFFFAOYSA-N 0 0 471.450 4.882 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414895 555813903 /nfs/dbraw/zinc/81/39/03/555813903.db2.gz PTAOEFIUADUHIW-UHFFFAOYSA-N 0 0 469.434 4.732 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000014427249 555814143 /nfs/dbraw/zinc/81/41/43/555814143.db2.gz OGHGTWNAXDMRJQ-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCCC1 ZINC000014429824 555814517 /nfs/dbraw/zinc/81/45/17/555814517.db2.gz QSXDDBQPQIBQSN-UHFFFAOYSA-N 0 0 456.486 4.531 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000020568947 555822675 /nfs/dbraw/zinc/82/26/75/555822675.db2.gz FBOLIIJDGHMUGX-KZVLXBEFSA-N 0 0 485.996 4.527 40 0 JJABRN COC(=O)c1c2c(sc1NC(=O)c1ccc(NS(=O)(=O)c3ccc(C)cc3)cc1)CCCC2 ZINC000020571345 555823562 /nfs/dbraw/zinc/82/35/62/555823562.db2.gz UBYURCXTDQJTAD-UHFFFAOYSA-N 0 0 484.599 4.775 40 0 JJABRN COc1ccccc1C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C ZINC000014607304 555836188 /nfs/dbraw/zinc/83/61/88/555836188.db2.gz BMXVYGKAWXDPKU-FDDCHVKYSA-N 0 0 450.560 4.642 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C[C@H]4C)cc1 ZINC000014671831 555837448 /nfs/dbraw/zinc/83/74/48/555837448.db2.gz KVUJBUPCDJRHMJ-DXPJPUQTSA-N 0 0 464.587 4.737 40 0 JJABRN Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1 ZINC000021577670 555851632 /nfs/dbraw/zinc/85/16/32/555851632.db2.gz ONBZJERMQVXJOY-UHFFFAOYSA-N 0 0 469.541 4.721 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000021579666 555852281 /nfs/dbraw/zinc/85/22/81/555852281.db2.gz KXBOTROFTLGJKB-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000021579694 555852324 /nfs/dbraw/zinc/85/23/24/555852324.db2.gz XKNIVYNGLAMIQW-UHFFFAOYSA-N 0 0 467.928 4.702 40 0 JJABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000021966922 555858264 /nfs/dbraw/zinc/85/82/64/555858264.db2.gz CDITXMDJWQEHBC-UHFFFAOYSA-N 0 0 471.282 4.636 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(Nc4ccccc4)n3)CC2)cc1 ZINC000022052672 555866544 /nfs/dbraw/zinc/86/65/44/555866544.db2.gz QTMIRTJGAXTENJ-NRFANRHFSA-N 0 0 487.629 4.749 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC)cc1 ZINC000011971441 555873887 /nfs/dbraw/zinc/87/38/87/555873887.db2.gz RAZIWRJEDSJGNF-UHFFFAOYSA-N 0 0 452.580 4.577 40 0 JJABRN COc1c(Br)cc(Br)cc1CNn1c(=S)[nH]nc1-c1ccccc1 ZINC000022110337 555877241 /nfs/dbraw/zinc/87/72/41/555877241.db2.gz UVAFLYJXKNCCCB-UHFFFAOYSA-N 0 0 470.190 4.885 40 0 JJABRN CCOc1cc(CNc2nnnn2CC)cc(Br)c1OCc1ccccc1Cl ZINC000022111906 555878941 /nfs/dbraw/zinc/87/89/41/555878941.db2.gz PAWGRBHQZNIUTA-UHFFFAOYSA-N 0 0 466.767 4.699 40 0 JJABRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000015228188 555887876 /nfs/dbraw/zinc/88/78/76/555887876.db2.gz OUTCFAZKPUZQJY-NRFANRHFSA-N 0 0 455.555 4.615 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000022230988 555889483 /nfs/dbraw/zinc/88/94/83/555889483.db2.gz ZIFDOQJBTCCHEF-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000022231111 555889491 /nfs/dbraw/zinc/88/94/91/555889491.db2.gz FYTZMZDRBQVGDC-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 ZINC000022232090 555891107 /nfs/dbraw/zinc/89/11/07/555891107.db2.gz PNHMWDOVPSIZNS-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000022232175 555891420 /nfs/dbraw/zinc/89/14/20/555891420.db2.gz ABJUXTIWYVNVKW-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022232202 555891431 /nfs/dbraw/zinc/89/14/31/555891431.db2.gz NVJMXWOIKHOXPN-UHFFFAOYSA-N 0 0 488.993 4.722 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022232855 555892471 /nfs/dbraw/zinc/89/24/71/555892471.db2.gz SAUPWHXHUQWRHI-QGZVFWFLSA-N 0 0 490.984 4.702 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000022233143 555893033 /nfs/dbraw/zinc/89/30/33/555893033.db2.gz ZUAVVRGNFVQHMI-UHFFFAOYSA-N 0 0 488.993 4.722 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000022233112 555893040 /nfs/dbraw/zinc/89/30/40/555893040.db2.gz DJTXQIZXUHCYFJ-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022233592 555893885 /nfs/dbraw/zinc/89/38/85/555893885.db2.gz IXBKCFUEWNWPDY-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CSc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233753 555894237 /nfs/dbraw/zinc/89/42/37/555894237.db2.gz PQAIJJBFQGAFHR-UHFFFAOYSA-N 0 0 474.579 4.531 40 0 JJABRN CCOC(=O)c1sc(C(=O)OCC)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1 ZINC000015319043 555897239 /nfs/dbraw/zinc/89/72/39/555897239.db2.gz GYLDBBZFPRGXKV-UHFFFAOYSA-N 0 0 468.483 4.540 40 0 JJABRN Cc1ccc([C@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc2)cc1 ZINC000015322041 555898771 /nfs/dbraw/zinc/89/87/71/555898771.db2.gz JLSYIONXDCTQQE-AREMUKBSSA-N 0 0 462.615 4.997 40 0 JJABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022252787 555901335 /nfs/dbraw/zinc/90/13/35/555901335.db2.gz FRPLNFNYUFXERN-UHFFFAOYSA-N 0 0 470.547 4.534 40 0 JJABRN COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253449 555901858 /nfs/dbraw/zinc/90/18/58/555901858.db2.gz UWAPVDKSDFOPRL-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254420 555902920 /nfs/dbraw/zinc/90/29/20/555902920.db2.gz FGFAGRIHWIRVRC-UHFFFAOYSA-N 0 0 486.565 4.678 40 0 JJABRN COc1cc(C(=O)Nc2ccc(Cl)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254456 555902925 /nfs/dbraw/zinc/90/29/25/555902925.db2.gz VUIDVJBVUBFFHX-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN CCCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 ZINC000022256250 555904401 /nfs/dbraw/zinc/90/44/01/555904401.db2.gz FJJMHXLNWIVEJX-NRFANRHFSA-N 0 0 478.593 4.717 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccs2)no1)C1CCCCC1 ZINC000022256816 555904904 /nfs/dbraw/zinc/90/49/04/555904904.db2.gz VJIHTFNCWJWHNF-UHFFFAOYSA-N 0 0 468.000 4.984 40 0 JJABRN COc1ccc(-c2noc(CN(C(C)(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000022257097 555904977 /nfs/dbraw/zinc/90/49/77/555904977.db2.gz OLDVZRFXLOQJLE-UHFFFAOYSA-N 0 0 473.595 4.867 40 0 JJABRN O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022258527 555905948 /nfs/dbraw/zinc/90/59/48/555905948.db2.gz YYZODBJMHMKYCX-UHFFFAOYSA-N 0 0 464.949 4.606 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC000022259496 555906247 /nfs/dbraw/zinc/90/62/47/555906247.db2.gz YGQOSUYUMCILDA-AWEZNQCLSA-N 0 0 460.905 4.707 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc1 ZINC000022259492 555906301 /nfs/dbraw/zinc/90/63/01/555906301.db2.gz YGQOSUYUMCILDA-CQSZACIVSA-N 0 0 460.905 4.707 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2CC)cc1C ZINC000022268265 555906979 /nfs/dbraw/zinc/90/69/79/555906979.db2.gz QZZATKDXCNEBBS-DEOSSOPVSA-N 0 0 480.630 4.793 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1C ZINC000022268262 555906992 /nfs/dbraw/zinc/90/69/92/555906992.db2.gz FHFGDTGKQSMVRW-HSZRJFAPSA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1C ZINC000022268326 555907270 /nfs/dbraw/zinc/90/72/70/555907270.db2.gz WMTYIFCELJDYND-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000022268422 555907315 /nfs/dbraw/zinc/90/73/15/555907315.db2.gz MZVPELVNZPGEIQ-QFIPXVFZSA-N 0 0 490.984 4.715 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000015419058 555908086 /nfs/dbraw/zinc/90/80/86/555908086.db2.gz MOJMTIDQUFPDHJ-UHFFFAOYSA-N 0 0 458.967 4.541 40 0 JJABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1I ZINC000015418565 555908145 /nfs/dbraw/zinc/90/81/45/555908145.db2.gz INCMKMZBTKPGGA-UHFFFAOYSA-N 0 0 471.707 4.725 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000022269547 555908343 /nfs/dbraw/zinc/90/83/43/555908343.db2.gz LYUZNEFBQBRZKO-NRFANRHFSA-N 0 0 493.412 4.920 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)cc1Cl ZINC000022269793 555908617 /nfs/dbraw/zinc/90/86/17/555908617.db2.gz YUMYVESFMYWOMN-QHCPKHFHSA-N 0 0 493.069 4.857 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022271481 555909262 /nfs/dbraw/zinc/90/92/62/555909262.db2.gz BJAUJYYHWPZQKE-OAQYLSRUSA-N 0 0 493.412 4.920 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@H](C)CCc4ccccc4)cc3C[C@@H]2C)cc1 ZINC000015453087 555909866 /nfs/dbraw/zinc/90/98/66/555909866.db2.gz COORKVKMWISSRS-RTWAWAEBSA-N 0 0 462.615 4.886 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274163 555910619 /nfs/dbraw/zinc/91/06/19/555910619.db2.gz XSRQXZBXDQYETQ-UHFFFAOYSA-N 0 0 480.586 4.821 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274075 555910624 /nfs/dbraw/zinc/91/06/24/555910624.db2.gz GBXZMEBJRHOWPI-UHFFFAOYSA-N 0 0 473.392 4.846 40 0 JJABRN Cc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022274362 555911247 /nfs/dbraw/zinc/91/12/47/555911247.db2.gz QCEBPOIFNNIZMJ-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022275105 555911869 /nfs/dbraw/zinc/91/18/69/555911869.db2.gz LRBLNPMQIKFEEI-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275555 555912431 /nfs/dbraw/zinc/91/24/31/555912431.db2.gz QHDKCKQIDHMZFR-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022275984 555913082 /nfs/dbraw/zinc/91/30/82/555913082.db2.gz KCYFDFHIVOBQLK-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN COc1cccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276326 555913703 /nfs/dbraw/zinc/91/37/03/555913703.db2.gz LEBLDTYPHDFLLH-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277219 555914883 /nfs/dbraw/zinc/91/48/83/555914883.db2.gz UKZGSABOOGAGAA-UHFFFAOYSA-N 0 0 458.967 4.799 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277532 555915200 /nfs/dbraw/zinc/91/52/00/555915200.db2.gz LCNMJRSECKIIIT-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277840 555915502 /nfs/dbraw/zinc/91/55/02/555915502.db2.gz XFLAQQWRBCYUEW-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(C)c(Cl)c2)cc1 ZINC000022277919 555915669 /nfs/dbraw/zinc/91/56/69/555915669.db2.gz KABIAAKMQYVYOA-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022281277 555917111 /nfs/dbraw/zinc/91/71/11/555917111.db2.gz KGOBGXCBGFABIH-DEOSSOPVSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000022306353 555919422 /nfs/dbraw/zinc/91/94/22/555919422.db2.gz XHHOYKXLXKMHKK-QHCPKHFHSA-N 0 0 482.602 4.557 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022317008 555921061 /nfs/dbraw/zinc/92/10/61/555921061.db2.gz NVTHIHZSYWJSIC-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(Cl)cc2)cc1 ZINC000022346254 555923550 /nfs/dbraw/zinc/92/35/50/555923550.db2.gz IXLZWPCGBNQTAA-XMMPIXPASA-N 0 0 485.005 4.738 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022365469 555926335 /nfs/dbraw/zinc/92/63/35/555926335.db2.gz JLPIOABHJYMNQE-KRWDZBQOSA-N 0 0 479.813 4.689 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022367916 555926550 /nfs/dbraw/zinc/92/65/50/555926550.db2.gz ANRZGYAFSYBKAT-NRFANRHFSA-N 0 0 466.603 4.526 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022374003 555927209 /nfs/dbraw/zinc/92/72/09/555927209.db2.gz GDLFPVZPAJVJCD-HSZRJFAPSA-N 0 0 490.984 4.951 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc2ccccc2c1 ZINC000022532067 555932166 /nfs/dbraw/zinc/93/21/66/555932166.db2.gz XBGRZJACAORBQF-UHFFFAOYSA-N 0 0 451.507 4.767 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 ZINC000022532738 555932411 /nfs/dbraw/zinc/93/24/11/555932411.db2.gz SAIACQBZPKIPOB-UHFFFAOYSA-N 0 0 451.939 4.599 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000022535849 555933260 /nfs/dbraw/zinc/93/32/60/555933260.db2.gz BPKCNZDNPZNSKZ-UHFFFAOYSA-N 0 0 453.951 4.633 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)c(C)c1 ZINC000022540107 555934258 /nfs/dbraw/zinc/93/42/58/555934258.db2.gz TVGYUUZWKRWNLQ-PKTZIBPZSA-N 0 0 456.652 4.815 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc3nc(NC(=O)CCC)sc3c2)c1 ZINC000022563344 555934849 /nfs/dbraw/zinc/93/48/49/555934849.db2.gz FVYBHZMVNQVULD-UHFFFAOYSA-N 0 0 456.593 4.951 40 0 JJABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000022564364 555935286 /nfs/dbraw/zinc/93/52/86/555935286.db2.gz DBOYUBLIAGEUSW-UHFFFAOYSA-N 0 0 457.555 4.912 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000022571709 555937803 /nfs/dbraw/zinc/93/78/03/555937803.db2.gz GHLANEBVQNRJAF-UHFFFAOYSA-N 0 0 462.984 4.824 40 0 JJABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1cc(OC)cc(OC)c1 ZINC000022574215 555938361 /nfs/dbraw/zinc/93/83/61/555938361.db2.gz GWZSIPJMJOOGBL-AREMUKBSSA-N 0 0 464.587 4.741 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000022579819 555939735 /nfs/dbraw/zinc/93/97/35/555939735.db2.gz NMLSQASWYGIUST-UHFFFAOYSA-N 0 0 467.978 4.942 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)c1 ZINC000022580110 555939742 /nfs/dbraw/zinc/93/97/42/555939742.db2.gz SFZNGVLJZBFWHS-UHFFFAOYSA-N 0 0 468.360 4.824 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O ZINC000022716659 555947685 /nfs/dbraw/zinc/94/76/85/555947685.db2.gz CFEMWKUDHVDMRL-UHFFFAOYSA-N 0 0 479.945 4.584 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cccc3ccccc32)ccc1N1C(=O)c2ccccc2C1=O ZINC000022718473 555948403 /nfs/dbraw/zinc/94/84/03/555948403.db2.gz AVXXXAFCISQBGA-UHFFFAOYSA-N 0 0 481.533 4.776 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000015707188 555952996 /nfs/dbraw/zinc/95/29/96/555952996.db2.gz GIQYYHYBMDOYSL-FQEVSTJZSA-N 0 0 492.923 4.621 40 0 biogenic,in-vitro JJABRN COc1cc(CN(C(=O)c2cc(Cl)cc(Cl)c2OC)C2CCCCC2)ccc1OCC(N)=O ZINC000022754555 555953359 /nfs/dbraw/zinc/95/33/59/555953359.db2.gz UTHZSUHTQVPKCS-UHFFFAOYSA-N 0 0 495.403 4.850 40 0 JJABRN O=C(c1ccc(C2CCCCC2)cc1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000022861973 555962392 /nfs/dbraw/zinc/96/23/92/555962392.db2.gz QRVZEWYSECPOLM-WUFINQPMSA-N 0 0 462.634 4.691 40 0 JJABRN O=C(c1ccc(C2CCCCC2)cc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 ZINC000022861975 555962434 /nfs/dbraw/zinc/96/24/34/555962434.db2.gz QRVZEWYSECPOLM-VSGBNLITSA-N 0 0 462.634 4.691 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3c4ccccc4C[C@H]3C)cc12 ZINC000012470250 555982048 /nfs/dbraw/zinc/98/20/48/555982048.db2.gz XBPIURQBBWJDHS-HRFSGMKKSA-N 0 0 476.584 4.720 40 0 JJABRN CCN(CS(=O)(=O)c1ccc(C)cc1)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015776281 555995850 /nfs/dbraw/zinc/99/58/50/555995850.db2.gz VQIXJQPBJIYBGT-UHFFFAOYSA-N 0 0 457.617 4.535 40 0 JJABRN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3C)N(Cc3ccncc3)C2=S)cc1 ZINC000015932200 556071053 /nfs/dbraw/zinc/07/10/53/556071053.db2.gz RUFUTJSEANIBIL-QFIPXVFZSA-N 0 0 495.004 4.583 40 0 JJABRN COc1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccccc3OC)nn2C)cc1 ZINC000012602834 556090929 /nfs/dbraw/zinc/09/09/29/556090929.db2.gz VOHRYEKMIGUKHW-NOXFTYBFSA-N 0 0 476.577 4.531 40 0 biogenic,in-vitro JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)cc1 ZINC000016014349 556112731 /nfs/dbraw/zinc/11/27/31/556112731.db2.gz HCGZJOJRQIRIDV-UHFFFAOYSA-N 0 0 491.613 4.699 40 0 JJABRN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4)c(Cl)c3N2)cc1 ZINC000012844337 556117170 /nfs/dbraw/zinc/11/71/70/556117170.db2.gz FQZXRFMWGJMNGA-LSDHHAIUSA-N 0 0 451.836 4.853 40 0 JJABRN O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccc(N2CCOCC2)cc1 ZINC000012878826 556122575 /nfs/dbraw/zinc/12/25/75/556122575.db2.gz FNKXOYBCNNXSOS-UHFFFAOYSA-N 0 0 486.022 4.679 40 0 JJABRN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000024522331 556133342 /nfs/dbraw/zinc/13/33/42/556133342.db2.gz NCQDVJGMABQAKH-UHFFFAOYSA-N 0 0 484.291 4.552 40 0 JJABRN C[C@H]([C@@H](O)c1ccccc1)N1CC[C@@H](N(C(=O)OCc2ccccc2)c2ccccc2)CC1=O ZINC000016697379 556153992 /nfs/dbraw/zinc/15/39/92/556153992.db2.gz HANSHLZNFNPMBN-FZBZCGEPSA-N 0 0 458.558 4.943 40 0 JJABRN CC(C)CN(CC(C)C)C(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000016902591 556173547 /nfs/dbraw/zinc/17/35/47/556173547.db2.gz XBSUOVSTYBXYEV-QFIPXVFZSA-N 0 0 478.612 4.832 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C(C)C)cc1)N(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000013023988 556214007 /nfs/dbraw/zinc/21/40/07/556214007.db2.gz ZADYKHSEQSSIQA-VWLOTQADSA-N 0 0 461.610 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 ZINC000013024836 556214803 /nfs/dbraw/zinc/21/48/03/556214803.db2.gz RXPYRTSCYOEMKZ-SANMLTNESA-N 0 0 487.579 4.645 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(Br)cc2)C1=O ZINC000017083386 556215108 /nfs/dbraw/zinc/21/51/08/556215108.db2.gz GDEOMFLPWSRWOX-HXUWFJFHSA-N 0 0 481.184 4.819 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(=O)OC)cc2)cc1 ZINC000013025489 556216080 /nfs/dbraw/zinc/21/60/80/556216080.db2.gz DDGXLZYJBNGKBC-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN COc1ccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1OC ZINC000013025556 556216285 /nfs/dbraw/zinc/21/62/85/556216285.db2.gz JGBHZJLQHNZZNG-DEOSSOPVSA-N 0 0 482.602 4.843 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 ZINC000013025736 556216639 /nfs/dbraw/zinc/21/66/39/556216639.db2.gz QAQADYKICHMNDU-DEOSSOPVSA-N 0 0 463.509 4.824 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 ZINC000013025862 556216992 /nfs/dbraw/zinc/21/69/92/556216992.db2.gz LZVLEQQAHRXFQA-XMMPIXPASA-N 0 0 476.529 4.522 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)c1OC ZINC000013025935 556217241 /nfs/dbraw/zinc/21/72/41/556217241.db2.gz KQASAHIRBDEMLO-VWLOTQADSA-N 0 0 476.573 4.782 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1OC ZINC000013026362 556218464 /nfs/dbraw/zinc/21/84/64/556218464.db2.gz ROHCWNWNVQYRBC-DEOSSOPVSA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(C)=O)c2)cc1 ZINC000013026579 556218970 /nfs/dbraw/zinc/21/89/70/556218970.db2.gz VGUGNPVPHPUEQM-RUZDIDTESA-N 0 0 460.530 4.938 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026619 556219185 /nfs/dbraw/zinc/21/91/85/556219185.db2.gz XYWSNJZFSYIWTA-RUZDIDTESA-N 0 0 478.545 4.752 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013026988 556219873 /nfs/dbraw/zinc/21/98/73/556219873.db2.gz XQQWDRLNFSPTDO-XMMPIXPASA-N 0 0 460.530 4.903 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)cc1 ZINC000013029023 556223307 /nfs/dbraw/zinc/22/33/07/556223307.db2.gz VSVSSLONTHBUGH-SANMLTNESA-N 0 0 469.589 4.683 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1cccc(F)c1 ZINC000013029477 556223918 /nfs/dbraw/zinc/22/39/18/556223918.db2.gz JIFIRCLYEBBMSX-HHHXNRCGSA-N 0 0 485.563 4.712 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030197 556225133 /nfs/dbraw/zinc/22/51/33/556225133.db2.gz ZMYLCNQVJCBWNZ-NDEPHWFRSA-N 0 0 499.590 4.966 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000013031379 556227744 /nfs/dbraw/zinc/22/77/44/556227744.db2.gz XKGDUBKIHMGVPV-XMMPIXPASA-N 0 0 497.958 4.754 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)o1 ZINC000013031521 556228279 /nfs/dbraw/zinc/22/82/79/556228279.db2.gz FKUFHWCOKZQRJX-RUZDIDTESA-N 0 0 493.995 4.923 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(C)cc2C)o1 ZINC000013031595 556228604 /nfs/dbraw/zinc/22/86/04/556228604.db2.gz GRELYIWYEFLNNF-MHZLTWQESA-N 0 0 487.604 4.886 40 0 JJABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2cc(C)ccc2C)o1 ZINC000013031592 556228645 /nfs/dbraw/zinc/22/86/45/556228645.db2.gz DQRHCWJLHXPEJJ-HHHXNRCGSA-N 0 0 487.604 4.886 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013032084 556230250 /nfs/dbraw/zinc/23/02/50/556230250.db2.gz IZLKWAZYFUQAPF-DEOSSOPVSA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013032203 556230582 /nfs/dbraw/zinc/23/05/82/556230582.db2.gz LFNLONJZCIZIAR-RUZDIDTESA-N 0 0 473.577 4.720 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 ZINC000013032089 556230607 /nfs/dbraw/zinc/23/06/07/556230607.db2.gz ACCZCUXTOHOBIP-VWLOTQADSA-N 0 0 491.567 4.860 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013032086 556230623 /nfs/dbraw/zinc/23/06/23/556230623.db2.gz IZLKWAZYFUQAPF-XMMPIXPASA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013032361 556230856 /nfs/dbraw/zinc/23/08/56/556230856.db2.gz QGCAMDSZZMKWES-AREMUKBSSA-N 0 0 485.588 4.525 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000013032485 556231437 /nfs/dbraw/zinc/23/14/37/556231437.db2.gz YVMHIWBPWMAMJQ-QHCPKHFHSA-N 0 0 497.958 4.896 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1ccco1 ZINC000013032538 556231471 /nfs/dbraw/zinc/23/14/71/556231471.db2.gz JRPJTQRKFQOYGQ-VWLOTQADSA-N 0 0 473.577 4.666 40 0 JJABRN CCOC(=O)N[C@@H](Cc1cc(OC)c(OC)cc1Br)c1ccc(OC)c(OC)c1 ZINC000017175455 556232037 /nfs/dbraw/zinc/23/20/37/556232037.db2.gz CNSXKSPRLOBWIO-INIZCTEOSA-N 0 0 468.344 4.513 40 0 JJABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21 ZINC000026108826 556241655 /nfs/dbraw/zinc/24/16/55/556241655.db2.gz RQUFJETXWQCXOF-UHFFFAOYSA-N 0 0 467.418 4.515 40 0 JJABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCc2ccccc21 ZINC000026110351 556242525 /nfs/dbraw/zinc/24/25/25/556242525.db2.gz CPWWWLNCVPTINN-SFHVURJKSA-N 0 0 467.418 4.515 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1C(=O)N1CCCC1 ZINC000026114695 556245424 /nfs/dbraw/zinc/24/54/24/556245424.db2.gz FASWJSYHOBBAFH-UHFFFAOYSA-N 0 0 485.096 4.510 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1C(=O)N1CCCCC1 ZINC000026115954 556246066 /nfs/dbraw/zinc/24/60/66/556246066.db2.gz ZQNUPDQHPBXMIY-UHFFFAOYSA-N 0 0 499.123 4.900 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026120784 556249128 /nfs/dbraw/zinc/24/91/28/556249128.db2.gz RFOPGOVMEYNHFC-LJQANCHMSA-N 0 0 460.665 4.724 40 0 JJABRN CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064331 556261867 /nfs/dbraw/zinc/26/18/67/556261867.db2.gz AQWDPTZYVUKDPQ-RUZDIDTESA-N 0 0 490.583 4.607 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064351 556261872 /nfs/dbraw/zinc/26/18/72/556261872.db2.gz JJKPKSHGIFMUDW-AREMUKBSSA-N 0 0 486.620 4.662 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064496 556261902 /nfs/dbraw/zinc/26/19/02/556261902.db2.gz VUQUISMNEHWUDQ-OAQYLSRUSA-N 0 0 482.629 4.573 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1 ZINC000026787690 556263671 /nfs/dbraw/zinc/26/36/71/556263671.db2.gz RFNXCWIPLKIIPP-UHFFFAOYSA-N 0 0 462.493 4.843 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000026844242 556264824 /nfs/dbraw/zinc/26/48/24/556264824.db2.gz JDDUMTMRPKRFPO-UHFFFAOYSA-N 0 0 451.375 4.666 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000027061855 556273210 /nfs/dbraw/zinc/27/32/10/556273210.db2.gz LIGOKMRRFBPPKF-GCTXXEFPSA-N 0 0 497.551 4.568 40 0 JJABRN COc1ccc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1OC ZINC000017967019 556273262 /nfs/dbraw/zinc/27/32/62/556273262.db2.gz IJFUQUKITZVWPS-JZTSUELASA-N 0 0 467.565 4.985 40 0 JJABRN COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2ON1c1ccccc1 ZINC000017995565 556275148 /nfs/dbraw/zinc/27/51/48/556275148.db2.gz MOLRWMHDRADDEH-FKBYEOEOSA-N 0 0 497.320 4.648 40 0 JJABRN CC(C)c1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000013083146 556279117 /nfs/dbraw/zinc/27/91/17/556279117.db2.gz XIGQPLUQQWCOGI-UHFFFAOYSA-N 0 0 489.555 4.649 40 0 JJABRN O=C(c1ccco1)N1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000027498817 556281036 /nfs/dbraw/zinc/28/10/36/556281036.db2.gz MJYRRGDDYFSKQK-SFHVURJKSA-N 0 0 472.372 4.513 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1 ZINC000013084449 556281762 /nfs/dbraw/zinc/28/17/62/556281762.db2.gz QJOXSCYDTKIZRQ-HXUWFJFHSA-N 0 0 454.571 4.987 40 0 JJABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000018079442 556284734 /nfs/dbraw/zinc/28/47/34/556284734.db2.gz ZCETZWLHDMUXID-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN COc1cc2c(cc1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)c1ccccc1F)CC2 ZINC000013086025 556285584 /nfs/dbraw/zinc/28/55/84/556285584.db2.gz PWLHKIWVDGLCGL-AREMUKBSSA-N 0 0 472.516 4.781 40 0 JJABRN CC(=O)Nc1ccc(Nc2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2Cl)cc1 ZINC000013086637 556286489 /nfs/dbraw/zinc/28/64/89/556286489.db2.gz YNOVCIYSWOADRP-UHFFFAOYSA-N 0 0 461.835 4.644 40 0 JJABRN O=C1c2ccc(Oc3cccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@@H]5C4=O)c3)cc2C(=O)N1c1ccccc1 ZINC000018099160 556287398 /nfs/dbraw/zinc/28/73/98/556287398.db2.gz DCBWLAXOGXAEBO-MZXZQTHYSA-N 0 0 476.488 4.591 40 0 JJABRN COc1ccc(CCNC(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c2nn[nH]n2)cc1 ZINC000027562037 556296799 /nfs/dbraw/zinc/29/67/99/556296799.db2.gz GBSIHPBZNZSWLI-QGOAFFKASA-N 0 0 484.343 4.675 40 0 JJABRN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000028092238 556315588 /nfs/dbraw/zinc/31/55/88/556315588.db2.gz CBTUWNPQLTUNKN-UHFFFAOYSA-N 0 0 466.173 4.703 40 0 JJABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206912 556317579 /nfs/dbraw/zinc/31/75/79/556317579.db2.gz DJNQPTLZEJLQRC-HNNXBMFYSA-N 0 0 471.376 4.841 40 0 JJABRN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206916 556317645 /nfs/dbraw/zinc/31/76/45/556317645.db2.gz SVSDTSCDOFGSRC-HNNXBMFYSA-N 0 0 471.376 4.841 40 0 JJABRN CN(c1ccc2sc(C(=O)NCc3ccccc3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209046 556319758 /nfs/dbraw/zinc/31/97/58/556319758.db2.gz OLXMHOCOYJUVBV-UHFFFAOYSA-N 0 0 454.548 4.796 40 0 JJABRN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)c1C ZINC000018354994 556320182 /nfs/dbraw/zinc/32/01/82/556320182.db2.gz YCYVGZHZCGIQDW-QGZVFWFLSA-N 0 0 479.606 4.601 40 0 JJABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(F)c2)C1)Nc1ccc(F)c(F)c1 ZINC000019075153 556327549 /nfs/dbraw/zinc/32/75/49/556327549.db2.gz IFTFMYNCWGVJES-OKILXGFUSA-N 0 0 452.452 4.993 40 0 JJABRN O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1cccc(C(F)(F)F)c1 ZINC000028295137 556330199 /nfs/dbraw/zinc/33/01/99/556330199.db2.gz SJKGIOHIHABJIS-HRAATJIYSA-N 0 0 492.500 4.627 40 0 JJABRN Cc1cccc(CCN(Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000019234886 556336757 /nfs/dbraw/zinc/33/67/57/556336757.db2.gz WDQLNCLOVVBSBM-UHFFFAOYSA-N 0 0 496.590 4.564 40 0 JJABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N(CC)Cc3ccccc3)cc2c1 ZINC000019499581 556349467 /nfs/dbraw/zinc/34/94/67/556349467.db2.gz HZNWRFQIIBEXRA-DEOSSOPVSA-N 0 0 474.609 4.670 40 0 JJABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N(C)Cc3ccccc3)c(=O)[nH]c2c1 ZINC000019569181 556355300 /nfs/dbraw/zinc/35/53/00/556355300.db2.gz QZQMWWKXIIZWSP-VWLOTQADSA-N 0 0 456.594 4.858 40 0 JJABRN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000030754404 556372463 /nfs/dbraw/zinc/37/24/63/556372463.db2.gz RBRASZXHHYEKQG-UQBPGWFLSA-N 0 0 464.587 4.827 40 0 JJABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)Oc2ccc(Cl)cc21 ZINC000030754623 556372604 /nfs/dbraw/zinc/37/26/04/556372604.db2.gz GMXXFCZXUPPFLK-FQEVSTJZSA-N 0 0 474.991 4.657 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000030756560 556373185 /nfs/dbraw/zinc/37/31/85/556373185.db2.gz JWRZCFNTJOEJRV-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030758083 556373851 /nfs/dbraw/zinc/37/38/51/556373851.db2.gz LWHYTFLYIQCQFK-UHFFFAOYSA-N 0 0 493.467 4.754 40 0 JJABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000030847360 556375850 /nfs/dbraw/zinc/37/58/50/556375850.db2.gz ZLKONKHMMWSMMZ-LJQANCHMSA-N 0 0 457.017 4.545 40 0 JJABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000030847365 556375877 /nfs/dbraw/zinc/37/58/77/556375877.db2.gz ZLKONKHMMWSMMZ-IBGZPJMESA-N 0 0 457.017 4.545 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000030848233 556376091 /nfs/dbraw/zinc/37/60/91/556376091.db2.gz HISSTIZFUBUTIQ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000030849144 556376752 /nfs/dbraw/zinc/37/67/52/556376752.db2.gz JBOMOOMVVNQSJJ-XMMPIXPASA-N 0 0 470.566 4.687 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 ZINC000030850929 556377341 /nfs/dbraw/zinc/37/73/41/556377341.db2.gz JNAUOIGAPTZRIZ-BVAGGSTKSA-N 0 0 494.613 4.555 40 0 JJABRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)cc1 ZINC000030851799 556377882 /nfs/dbraw/zinc/37/78/82/556377882.db2.gz PBVJCJXSWSZBNH-QHCPKHFHSA-N 0 0 452.576 4.994 40 0 JJABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(OC)cc1 ZINC000030851794 556377900 /nfs/dbraw/zinc/37/79/00/556377900.db2.gz PBVJCJXSWSZBNH-HSZRJFAPSA-N 0 0 452.576 4.994 40 0 JJABRN CCOC(=O)c1cc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1Cl ZINC000030853140 556378593 /nfs/dbraw/zinc/37/85/93/556378593.db2.gz SDEJTBFYAYGFQY-UHFFFAOYSA-N 0 0 487.405 4.663 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030859112 556380863 /nfs/dbraw/zinc/38/08/63/556380863.db2.gz DVNMZEBRWJUVCV-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000030860036 556381213 /nfs/dbraw/zinc/38/12/13/556381213.db2.gz WXKVYETXHKKKAX-MYUZEXMDSA-N 0 0 476.598 4.969 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000030859852 556381281 /nfs/dbraw/zinc/38/12/81/556381281.db2.gz GOWNQPXFLLQYPW-MRXNPFEDSA-N 0 0 476.957 4.560 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000030860045 556381583 /nfs/dbraw/zinc/38/15/83/556381583.db2.gz WXKVYETXHKKKAX-XRHLQHRESA-N 0 0 476.598 4.969 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000030863420 556382588 /nfs/dbraw/zinc/38/25/88/556382588.db2.gz ZCYLDAKBXWEFTK-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)c(OC)c1 ZINC000019816911 556383400 /nfs/dbraw/zinc/38/34/00/556383400.db2.gz SDKITFSDFLJCIA-OAHLLOKOSA-N 0 0 480.977 5.000 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818443 556385823 /nfs/dbraw/zinc/38/58/23/556385823.db2.gz PTIIAQKRFVAJBV-LOSJGSFVSA-N 0 0 493.604 4.613 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c2ccccc2)cc1 ZINC000030873725 556386173 /nfs/dbraw/zinc/38/61/73/556386173.db2.gz SCMPQUDAPFTXPA-HSZRJFAPSA-N 0 0 477.413 4.974 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 ZINC000019820435 556389701 /nfs/dbraw/zinc/38/97/01/556389701.db2.gz AIKXOFRHHOCQQJ-RPBOFIJWSA-N 0 0 469.541 4.669 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc(F)cc1 ZINC000019820477 556389897 /nfs/dbraw/zinc/38/98/97/556389897.db2.gz YPAGTRHPRDHUMC-ZEQRLZLVSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc(F)c1 ZINC000019820601 556390295 /nfs/dbraw/zinc/39/02/95/556390295.db2.gz FVHRQBBDCDSJHE-BJKOFHAPSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1OCC ZINC000019820696 556390469 /nfs/dbraw/zinc/39/04/69/556390469.db2.gz JLZCLCKPXATOFP-CLJLJLNGSA-N 0 0 483.568 4.793 40 0 JJABRN Cc1cc(OCC(=O)N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)ccc1Cl ZINC000032101311 556416753 /nfs/dbraw/zinc/41/67/53/556416753.db2.gz MJNPMYOXFGNQNC-SFHVURJKSA-N 0 0 491.691 4.677 40 0 JJABRN O=C(c1cccc(Br)c1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F ZINC000032101401 556417014 /nfs/dbraw/zinc/41/70/14/556417014.db2.gz TUOLIBOXZIGJRY-INIZCTEOSA-N 0 0 492.089 4.713 40 0 JJABRN CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(C(=O)OCC)c1C ZINC000032109316 556418752 /nfs/dbraw/zinc/41/87/52/556418752.db2.gz REVJSTDVVBLPSK-UHFFFAOYSA-N 0 0 492.619 4.572 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1Br ZINC000032125083 556428647 /nfs/dbraw/zinc/42/86/47/556428647.db2.gz AVCMNXWLSPXWJG-UHFFFAOYSA-N 0 0 462.413 4.821 40 0 JJABRN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc21 ZINC000032125277 556429312 /nfs/dbraw/zinc/42/93/12/556429312.db2.gz GXMMXDLKRXAQQR-UHFFFAOYSA-N 0 0 494.620 4.929 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Cl ZINC000032126287 556429963 /nfs/dbraw/zinc/42/99/63/556429963.db2.gz VZORIUAIUWLROE-UHFFFAOYSA-N 0 0 497.429 4.575 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(OC)cc2s1 ZINC000032126422 556430256 /nfs/dbraw/zinc/43/02/56/556430256.db2.gz AMCMPBJGKYBLPX-UHFFFAOYSA-N 0 0 486.800 4.856 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000032127618 556432167 /nfs/dbraw/zinc/43/21/67/556432167.db2.gz MOBVIFFCRYRTGE-UHFFFAOYSA-N 0 0 477.402 4.903 40 0 JJABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000032127725 556432258 /nfs/dbraw/zinc/43/22/58/556432258.db2.gz OFSXCBXEYSJCGH-UHFFFAOYSA-N 0 0 464.620 4.894 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Br ZINC000032127889 556432618 /nfs/dbraw/zinc/43/26/18/556432618.db2.gz TWRNNPZNPFRRNR-UHFFFAOYSA-N 0 0 472.368 4.883 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@H]12 ZINC000032594659 556449185 /nfs/dbraw/zinc/44/91/85/556449185.db2.gz USIGYKLGIKODTP-QLFBSQMISA-N 0 0 478.473 4.648 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccc(Br)cc3F)[C@H]2C1 ZINC000032640450 556462850 /nfs/dbraw/zinc/46/28/50/556462850.db2.gz BXDIEKHHQKIKMZ-RDJZCZTQSA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)[C@@H]2C1 ZINC000032640517 556462868 /nfs/dbraw/zinc/46/28/68/556462868.db2.gz AHANNOGRVVRKFR-DLBZAZTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3Cl)N(c3cccc(Cl)c3)[C@H]2C1 ZINC000032640550 556463080 /nfs/dbraw/zinc/46/30/80/556463080.db2.gz MVLBSLTWUSRELD-IRXDYDNUSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@H]2C1 ZINC000032640622 556463396 /nfs/dbraw/zinc/46/33/96/556463396.db2.gz QEUJWJADJIWFLR-WMZOPIPTSA-N 0 0 490.956 4.513 40 0 JJABRN Cc1cccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000032641194 556465471 /nfs/dbraw/zinc/46/54/71/556465471.db2.gz LXSLOTAZWHSOMU-WMZOPIPTSA-N 0 0 474.957 4.942 40 0 JJABRN C[C@@]1(O)CCN(Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290001 560030735 /nfs/dbraw/zinc/03/07/35/560030735.db2.gz TWSKZSMOHFVDQA-OHSXHVKISA-N 0 0 473.598 4.900 40 0 biogenic,in-vitro JJABRN C/C=C/[C@H]1[C@@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)[C@@H](OC)[C@@](C)(O)[C@H]2CC[C@@H](C)C[C@@H]12 ZINC000514287919 560035755 /nfs/dbraw/zinc/03/57/55/560035755.db2.gz IPKLRUUQQXIZIE-MFAPPXQASA-N 0 0 481.589 4.689 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898927 560049638 /nfs/dbraw/zinc/04/96/38/560049638.db2.gz APMWSQYKPBFBJW-MJURUFGISA-N 0 0 494.651 4.629 40 0 biogenic,in-vitro JJABRN CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(c3ccccc3)C=C(c3ccccc3)N(C)CCN12 ZINC000008665814 562948733 /nfs/dbraw/zinc/94/87/33/562948733.db2.gz RMCQZPKWOCRAEJ-GDLZYMKVSA-N 0 0 466.585 4.833 40 0 JJABRN CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)sc3nc21 ZINC000008685888 562952680 /nfs/dbraw/zinc/95/26/80/562952680.db2.gz WPUYSONSJIOUHI-UHFFFAOYSA-N 0 0 480.615 4.631 40 0 aggregator JJABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 ZINC000054201050 569589434 /nfs/dbraw/zinc/58/94/34/569589434.db2.gz UJNJUOPKMWROIY-QFIPXVFZSA-N 0 0 487.419 4.594 40 0 JJABRN COc1cc([C@@H]2c3cc4c(cc3O[C@]3(N5CCCC5)CCC[C@H]23)OCO4)cc(OC)c1OC ZINC000054959703 569590348 /nfs/dbraw/zinc/59/03/48/569590348.db2.gz PQIBCMUEYYLERP-DETVKUJNSA-N 0 0 453.535 4.558 40 0 JJABRN O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc2nsnc2c1 ZINC000057313166 569596421 /nfs/dbraw/zinc/59/64/21/569596421.db2.gz BLTFMSDEHKBEJO-UHFFFAOYSA-N 0 0 458.524 4.592 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c(OC)c1 ZINC000057312993 569596460 /nfs/dbraw/zinc/59/64/60/569596460.db2.gz POZIENHSAPHZPP-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316388 569597806 /nfs/dbraw/zinc/59/78/06/569597806.db2.gz OKNCSXRHIWVDKT-UHFFFAOYSA-N 0 0 496.677 4.543 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000057316485 569597899 /nfs/dbraw/zinc/59/78/99/569597899.db2.gz WNMPDVCUWYRJCJ-LFYBBSHMSA-N 0 0 485.053 4.561 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057316690 569598005 /nfs/dbraw/zinc/59/80/05/569598005.db2.gz VHYDLMFXTJOPKB-UHFFFAOYSA-N 0 0 489.922 4.522 40 0 JJABRN CCOc1cc(C(=O)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc(OCC)c1OCC ZINC000057316901 569598158 /nfs/dbraw/zinc/59/81/58/569598158.db2.gz YVGBWKUAKIZHHP-UHFFFAOYSA-N 0 0 481.578 4.864 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1c2nsnc2ccc1Cl ZINC000059294110 569602427 /nfs/dbraw/zinc/60/24/27/569602427.db2.gz ZKJKXJJBFQHFJM-UHFFFAOYSA-N 0 0 471.789 4.551 40 0 JJABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)cc4OC)cc3O)nc2c1 ZINC000059294333 569602532 /nfs/dbraw/zinc/60/25/32/569602532.db2.gz MPGHLQVCTYNKFM-UHFFFAOYSA-N 0 0 477.542 4.907 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(OC)c1 ZINC000059294609 569602644 /nfs/dbraw/zinc/60/26/44/569602644.db2.gz PROHOIDDYXKRFM-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)c1 ZINC000059294512 569602648 /nfs/dbraw/zinc/60/26/48/569602648.db2.gz ZUTKCHGSJJBJIL-UHFFFAOYSA-N 0 0 468.360 4.824 40 0 JJABRN Cc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000059444562 569603970 /nfs/dbraw/zinc/60/39/70/569603970.db2.gz ZLUFBEATLPRVLT-UHFFFAOYSA-N 0 0 487.419 4.630 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000059475196 569604768 /nfs/dbraw/zinc/60/47/68/569604768.db2.gz BBZYHZISFSORPC-UHFFFAOYSA-N 0 0 462.930 4.712 40 0 JJABRN CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccc(C)cc1 ZINC000059488058 569605481 /nfs/dbraw/zinc/60/54/81/569605481.db2.gz YGZRLJSVOBAJOE-UHFFFAOYSA-N 0 0 477.586 4.617 40 0 JJABRN CCOC(=O)C1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000059489097 569605564 /nfs/dbraw/zinc/60/55/64/569605564.db2.gz LDAWHCHYKAHTCT-RUZDIDTESA-N 0 0 493.357 4.726 40 0 JJABRN C[C@H](Sc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 ZINC000059489643 569605727 /nfs/dbraw/zinc/60/57/27/569605727.db2.gz PSWBTLWOAIORME-LBPRGKRZSA-N 0 0 476.630 4.673 40 0 JJABRN COc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000059502200 569606251 /nfs/dbraw/zinc/60/62/51/569606251.db2.gz QZLURIBTJMSCRK-UHFFFAOYSA-N 0 0 455.297 4.903 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc(Cl)c1 ZINC000059559054 569606742 /nfs/dbraw/zinc/60/67/42/569606742.db2.gz FMBXGOIXXYCMLD-UHFFFAOYSA-N 0 0 483.012 4.928 40 0 JJABRN CCCn1c2nnc(SCc3cc(C)ccc3C)n2c2cc(C(=O)NCC(C)C)ccc2c1=O ZINC000032986172 569608770 /nfs/dbraw/zinc/60/87/70/569608770.db2.gz RJIPBXHNDHGMMB-UHFFFAOYSA-N 0 0 477.634 4.749 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000033382696 569625368 /nfs/dbraw/zinc/62/53/68/569625368.db2.gz QFJLULCPABCMCZ-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl ZINC000033389943 569625656 /nfs/dbraw/zinc/62/56/56/569625656.db2.gz FAEUEVWUQHFQSU-QGZVFWFLSA-N 0 0 488.993 4.796 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000033393354 569625664 /nfs/dbraw/zinc/62/56/64/569625664.db2.gz VPFCKDRKZMVWDD-UHFFFAOYSA-N 0 0 474.966 4.865 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1cccc2ccccc21 ZINC000033401404 569625935 /nfs/dbraw/zinc/62/59/35/569625935.db2.gz QFBMWLMXEDXLLT-UHFFFAOYSA-N 0 0 458.967 4.685 40 0 JJABRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccccc4Cl)c(=O)n32)cc1 ZINC000033524346 569627245 /nfs/dbraw/zinc/62/72/45/569627245.db2.gz INKWFGMDSALHIJ-WVWKGNOCSA-N 0 0 499.057 4.562 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000033533080 569627450 /nfs/dbraw/zinc/62/74/50/569627450.db2.gz ZCXULBPVWQGQGT-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl ZINC000033562974 569627952 /nfs/dbraw/zinc/62/79/52/569627952.db2.gz KOOOSNVLMOBDBU-RCEBRVLHSA-N 0 0 467.305 4.643 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000033597489 569628461 /nfs/dbraw/zinc/62/84/61/569628461.db2.gz IICSSFLXQCSUIE-UHFFFAOYSA-N 0 0 471.406 4.930 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccccc1C(F)(F)F ZINC000033645526 569629468 /nfs/dbraw/zinc/62/94/68/569629468.db2.gz LWVHQVSPUKCJED-UHFFFAOYSA-N 0 0 468.428 4.663 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000033648344 569629549 /nfs/dbraw/zinc/62/95/49/569629549.db2.gz BWDZBKLXMRFPMJ-UHFFFAOYSA-N 0 0 478.492 4.544 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccccc1 ZINC000033647678 569629560 /nfs/dbraw/zinc/62/95/60/569629560.db2.gz OMFCXLZYHBSWDT-MQAYZUIZSA-N 0 0 466.647 4.798 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1F ZINC000033658640 569629998 /nfs/dbraw/zinc/62/99/98/569629998.db2.gz JMUDYBAEOPPLEZ-AWEZNQCLSA-N 0 0 475.977 4.621 40 0 JJABRN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000033660493 569630147 /nfs/dbraw/zinc/63/01/47/569630147.db2.gz XWOZJOIZIDONHL-IBGZPJMESA-N 0 0 478.062 4.527 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC ZINC000033696738 569630945 /nfs/dbraw/zinc/63/09/45/569630945.db2.gz AIWOAKFRBGLXMY-LICLKQGHSA-N 0 0 465.911 4.754 40 0 JJABRN CCOc1cc(C(=O)Nc2ccc(I)cc2)cc(Br)c1OC ZINC000033712719 569631483 /nfs/dbraw/zinc/63/14/83/569631483.db2.gz YGKDSBWWXFTSFX-UHFFFAOYSA-N 0 0 476.108 4.713 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)c(Cl)c1)c1ccccc1 ZINC000033722140 569631992 /nfs/dbraw/zinc/63/19/92/569631992.db2.gz KMGFFOAKGRAQLZ-OAHLLOKOSA-N 0 0 462.930 4.536 40 0 JJABRN O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(Br)ccc1Br ZINC000033739499 569632982 /nfs/dbraw/zinc/63/29/82/569632982.db2.gz TUUKLZMZNZAOAZ-UHFFFAOYSA-N 0 0 459.119 4.585 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(Cl)cc2)cc1OC ZINC000033739509 569632987 /nfs/dbraw/zinc/63/29/87/569632987.db2.gz COTBFSHNSVHOBA-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000033742563 569633182 /nfs/dbraw/zinc/63/31/82/569633182.db2.gz NKTQFIBWURJVMH-UHFFFAOYSA-N 0 0 466.603 4.957 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000033744464 569633292 /nfs/dbraw/zinc/63/32/92/569633292.db2.gz GOJBPMUBEBLYOX-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 ZINC000033750926 569633545 /nfs/dbraw/zinc/63/35/45/569633545.db2.gz NIWKHRVQSHAPRB-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000033751231 569633579 /nfs/dbraw/zinc/63/35/79/569633579.db2.gz LZAAJIHJLLMXQU-QHHAFSJGSA-N 0 0 499.807 4.792 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000033761226 569633897 /nfs/dbraw/zinc/63/38/97/569633897.db2.gz DZVGBBIVLKKNAX-UHFFFAOYSA-N 0 0 454.548 4.520 40 0 JJABRN C=CCOc1c(Br)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OC ZINC000033778342 569634510 /nfs/dbraw/zinc/63/45/10/569634510.db2.gz LSAHYLAKIGKNLL-QGZVFWFLSA-N 0 0 465.369 4.790 40 0 JJABRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O ZINC000034715101 569651579 /nfs/dbraw/zinc/65/15/79/569651579.db2.gz SFCSHKQMNILETA-HYARGMPZSA-N 0 0 452.576 4.922 40 0 JJABRN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 ZINC000034719479 569652277 /nfs/dbraw/zinc/65/22/77/569652277.db2.gz KQQWZKMQAVHOGI-UHFFFAOYSA-N 0 0 450.520 4.524 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034762891 569657946 /nfs/dbraw/zinc/65/79/46/569657946.db2.gz ZTAOCDRYNZXJKM-UHFFFAOYSA-N 0 0 487.069 4.823 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000034771635 569659021 /nfs/dbraw/zinc/65/90/21/569659021.db2.gz WYDOZFNIASKABK-CQSZACIVSA-N 0 0 475.977 4.621 40 0 JJABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3I)C2=O)c(C)c1 ZINC000034807467 569661228 /nfs/dbraw/zinc/66/12/28/569661228.db2.gz KFLQHPIIFABQTG-YVLHZVERSA-N 0 0 492.338 4.583 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1Cl ZINC000034829087 569662960 /nfs/dbraw/zinc/66/29/60/569662960.db2.gz MSXBSQDULIJDLH-GRSHGNNSSA-N 0 0 460.939 4.811 40 0 JJABRN COc1c(I)cc(C(=O)Nc2ccc(O)cc2)cc1OCc1ccccc1 ZINC000034854616 569667458 /nfs/dbraw/zinc/66/74/58/569667458.db2.gz FHGVLPSTXGMNFR-UHFFFAOYSA-N 0 0 475.282 4.837 40 0 JJABRN COc1cc(C(=S)N2CCOCC2)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000034857159 569667586 /nfs/dbraw/zinc/66/75/86/569667586.db2.gz WFFJCAUHWULNJV-UHFFFAOYSA-N 0 0 456.789 4.698 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000034864182 569667885 /nfs/dbraw/zinc/66/78/85/569667885.db2.gz RRPBFCVSEKTAOH-UHFFFAOYSA-N 0 0 489.391 4.884 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCC(=O)Nc1ccccc1C ZINC000034878622 569668721 /nfs/dbraw/zinc/66/87/21/569668721.db2.gz XVKQJUUIUCUUHC-QHCPKHFHSA-N 0 0 463.559 4.780 40 0 JJABRN COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)C(C)C)cc1 ZINC000034889930 569669151 /nfs/dbraw/zinc/66/91/51/569669151.db2.gz GFGPXINVELAWCX-HSZRJFAPSA-N 0 0 495.649 4.805 40 0 JJABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000034930862 569673444 /nfs/dbraw/zinc/67/34/44/569673444.db2.gz WRIHTVOTSZUBKW-PKNBQFBNSA-N 0 0 460.943 4.903 40 0 JJABRN Fc1ccc(COc2c(Br)cc(C(=S)N3CCOCC3)cc2Br)cc1 ZINC000035084985 569674517 /nfs/dbraw/zinc/67/45/17/569674517.db2.gz CYCUEYIQKSKVJU-UHFFFAOYSA-N 0 0 489.204 4.937 40 0 JJABRN CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Br)cc1C ZINC000035132241 569675583 /nfs/dbraw/zinc/67/55/83/569675583.db2.gz JCSJXMKUVHXOHA-UHFFFAOYSA-N 0 0 475.412 4.987 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(C)c2C)cc1Cl ZINC000035152180 569676238 /nfs/dbraw/zinc/67/62/38/569676238.db2.gz MTMCPUGZOOTHAS-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2ccccc2)cc1C ZINC000035213053 569678371 /nfs/dbraw/zinc/67/83/71/569678371.db2.gz ITDBAGUKPXNYNM-UHFFFAOYSA-N 0 0 476.957 4.626 40 0 JJABRN O=C(Nc1ccc(NC(=S)NC(=O)C(Cl)(Cl)Cl)cc1)c1cccc(Cl)c1 ZINC000035269538 569679220 /nfs/dbraw/zinc/67/92/20/569679220.db2.gz YHVTUPNBCYNLEA-UHFFFAOYSA-N 0 0 451.162 4.776 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000035311661 569680168 /nfs/dbraw/zinc/68/01/68/569680168.db2.gz QTIAXKMMFTWXCR-UHFFFAOYSA-N 0 0 480.619 4.773 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1C ZINC000035362439 569682424 /nfs/dbraw/zinc/68/24/24/569682424.db2.gz HJRZHPDRVLYWGP-CQSZACIVSA-N 0 0 492.432 4.961 40 0 JJABRN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)[C@H]2CSCN21 ZINC000035374588 569684159 /nfs/dbraw/zinc/68/41/59/569684159.db2.gz NOBJAYXFPCKAEJ-VGSCBBJJSA-N 0 0 484.577 4.543 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000035419674 569692225 /nfs/dbraw/zinc/69/22/25/569692225.db2.gz XHNNZOQTTXUJAE-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N(C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000072215391 569700285 /nfs/dbraw/zinc/70/02/85/569700285.db2.gz DBYBORPAHGCNBV-OAQYLSRUSA-N 0 0 457.596 4.820 40 0 JJABRN CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCCN3C(=O)c3ccccc3)cn2)CC1 ZINC000072216438 569700489 /nfs/dbraw/zinc/70/04/89/569700489.db2.gz JRBBEMQQQGARKE-QFIPXVFZSA-N 0 0 450.583 4.506 40 0 JJABRN Cc1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cn1 ZINC000072317307 569702111 /nfs/dbraw/zinc/70/21/11/569702111.db2.gz QDMXVKKPYBGIAS-UHFFFAOYSA-N 0 0 490.571 4.675 40 0 JJABRN Cc1nc(C)c(CC(=O)N2CCc3nc(-c4ccncc4)nc(Nc4cccc(F)c4)c3C2)s1 ZINC000072341305 569703520 /nfs/dbraw/zinc/70/35/20/569703520.db2.gz MZDRYGWBNLLXAR-UHFFFAOYSA-N 0 0 474.565 4.622 40 0 JJABRN CCCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCCC ZINC000072414172 569703947 /nfs/dbraw/zinc/70/39/47/569703947.db2.gz ZOWZAXPTPIPBID-UHFFFAOYSA-N 0 0 475.348 4.670 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N(c4ccc(Cl)cc4)O[C@@H]3C2=O)cc1 ZINC000096178812 569737032 /nfs/dbraw/zinc/73/70/32/569737032.db2.gz XCAQZBSZLIKKDG-VJBWXMMDSA-N 0 0 476.916 4.568 40 0 JJABRN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100123864 569753276 /nfs/dbraw/zinc/75/32/76/569753276.db2.gz QZXIZLNPZVLRRS-GSDHBNRESA-N 0 0 450.494 4.900 40 0 JJABRN COc1ccc(OCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@@H]3c2ccccc2)cc1 ZINC000100283002 569756706 /nfs/dbraw/zinc/75/67/06/569756706.db2.gz VADKWCVQTAEISA-XDZXDJIYSA-N 0 0 453.538 4.813 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000036127991 569756885 /nfs/dbraw/zinc/75/68/85/569756885.db2.gz QDSUSVKMWKNOEE-MOPGFXCFSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(C)cc1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 ZINC000100362203 569758056 /nfs/dbraw/zinc/75/80/56/569758056.db2.gz DODQBUGINYDCPX-UHFFFAOYSA-N 0 0 453.593 4.574 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n21)CCCC3 ZINC000100386069 569758404 /nfs/dbraw/zinc/75/84/04/569758404.db2.gz UIROVJXEYQNUJD-UHFFFAOYSA-N 0 0 465.604 4.714 40 0 JJABRN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NC[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000036293393 569759047 /nfs/dbraw/zinc/75/90/47/569759047.db2.gz KPXLXIHCUGTMEU-MRXNPFEDSA-N 0 0 481.343 4.667 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C1=O ZINC000100766243 569769245 /nfs/dbraw/zinc/76/92/45/569769245.db2.gz LWPNXNWVCGBEOG-FSSWDIPSSA-N 0 0 476.554 4.593 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000100766353 569769266 /nfs/dbraw/zinc/76/92/66/569769266.db2.gz NYMXESZBJXQADW-ZRBLBEILSA-N 0 0 490.581 4.901 40 0 JJABRN CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CN2CCN(c3ccccc3F)CC2)s1 ZINC000036350493 569771208 /nfs/dbraw/zinc/77/12/08/569771208.db2.gz SOYIUPIGSJVIIP-UHFFFAOYSA-N 0 0 465.594 4.750 40 0 JJABRN COC(=O)c1c2c(sc1N1C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccs3)C1=O)CCCC2 ZINC000100865922 569772901 /nfs/dbraw/zinc/77/29/01/569772901.db2.gz ZLKSTWHCZXRWLO-NJYVYQBISA-N 0 0 494.594 4.526 40 0 JJABRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O ZINC000036612799 569777964 /nfs/dbraw/zinc/77/79/64/569777964.db2.gz NDOXRDNPBQPGOM-QGZVFWFLSA-N 0 0 469.847 4.730 40 0 JJABRN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000036613034 569778090 /nfs/dbraw/zinc/77/80/90/569778090.db2.gz ZVPXTXARGZNLLZ-PXAZEXFGSA-N 0 0 458.444 4.584 40 0 JJABRN COc1ccc([C@H]2c3sc(=S)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000100972277 569778100 /nfs/dbraw/zinc/77/81/00/569778100.db2.gz KZZWONTZSGUNAQ-RYRKJORJSA-N 0 0 454.598 4.919 40 0 JJABRN CCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N/S(=O)(=O)c1cccs1 ZINC000100973163 569778201 /nfs/dbraw/zinc/77/82/01/569778201.db2.gz KGIIJWRZRJPZDR-GHVJWSGMSA-N 0 0 470.597 4.807 40 0 JJABRN O=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@H](C(F)(F)F)C[C@H]1C1CC1 ZINC000036614403 569778237 /nfs/dbraw/zinc/77/82/37/569778237.db2.gz ASVHQHMXTWXYJD-OALUTQOASA-N 0 0 452.440 4.525 40 0 JJABRN CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101029487 569779982 /nfs/dbraw/zinc/77/99/82/569779982.db2.gz DDAVAODKVWGTQY-DSITVLBTSA-N 0 0 458.514 4.622 40 0 JJABRN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101034843 569780168 /nfs/dbraw/zinc/78/01/68/569780168.db2.gz FXRVZIUSXVMWPB-FKBYEOEOSA-N 0 0 485.323 4.759 40 0 JJABRN O=C(C1=C2C(O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000101075980 569781567 /nfs/dbraw/zinc/78/15/67/569781567.db2.gz QDWUELUSHACREB-LWSSLDFYSA-N 0 0 499.364 4.722 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101165208 569785406 /nfs/dbraw/zinc/78/54/06/569785406.db2.gz GAZHQWQMDQVGHO-SGNDLWITSA-N 0 0 478.932 4.717 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101173240 569785977 /nfs/dbraw/zinc/78/59/77/569785977.db2.gz BUDLDBOWZFYTJE-HJOGWXRNSA-N 0 0 469.928 4.935 40 0 JJABRN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2C)ccc1OCc1ccccc1 ZINC000101191359 569786552 /nfs/dbraw/zinc/78/65/52/569786552.db2.gz PUMHPEUOOVEBSZ-SDHOMARFSA-N 0 0 492.959 4.794 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(OCC)cc3)C2=O)cc1 ZINC000101195196 569786756 /nfs/dbraw/zinc/78/67/56/569786756.db2.gz RSUPTSRMDPGAAO-CYXNTTPDSA-N 0 0 472.541 4.925 40 0 JJABRN CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(OCC)cc4)[C@@H]3C2=O)cc1 ZINC000101195194 569786832 /nfs/dbraw/zinc/78/68/32/569786832.db2.gz RSUPTSRMDPGAAO-GSDHBNRESA-N 0 0 472.541 4.925 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101193374 569786888 /nfs/dbraw/zinc/78/68/88/569786888.db2.gz AFNZTVBMNIRERZ-BDTNDASRSA-N 0 0 468.431 4.632 40 0 JJABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](c4ccccc4)CC[C@@H]3C2=O)cc1)c1ccccc1 ZINC000101224317 569787446 /nfs/dbraw/zinc/78/74/46/569787446.db2.gz FXKHDDKVSPYVSB-PZUNEJSGSA-N 0 0 467.521 4.800 40 0 JJABRN CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985271 569812895 /nfs/dbraw/zinc/81/28/95/569812895.db2.gz BQLNTROSUSTCJT-UHFFFAOYSA-N 0 0 456.178 4.950 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000101249453 569788060 /nfs/dbraw/zinc/78/80/60/569788060.db2.gz GTHLNEAZSXTCLN-BDTNDASRSA-N 0 0 452.869 4.539 40 0 JJABRN Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000038556589 569805347 /nfs/dbraw/zinc/80/53/47/569805347.db2.gz URYIZXADBWGSRU-UHFFFAOYSA-N 0 0 471.406 4.930 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000038753022 569806433 /nfs/dbraw/zinc/80/64/33/569806433.db2.gz SWTSSNRXSKXJNH-XMMPIXPASA-N 0 0 460.640 4.762 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 ZINC000038753390 569806510 /nfs/dbraw/zinc/80/65/10/569806510.db2.gz LHYXXYXAEFVZMG-NDEPHWFRSA-N 0 0 490.669 4.875 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000038754198 569806734 /nfs/dbraw/zinc/80/67/34/569806734.db2.gz QSEVXVHTZYCSNY-MRXNPFEDSA-N 0 0 474.966 4.864 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000038754601 569806865 /nfs/dbraw/zinc/80/68/65/569806865.db2.gz VLFDEJLZJPBQAD-INIZCTEOSA-N 0 0 489.852 4.847 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1 ZINC000038754505 569806878 /nfs/dbraw/zinc/80/68/78/569806878.db2.gz SFWLYNJOHRCXMJ-UHFFFAOYSA-N 0 0 499.416 4.987 40 0 JJABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000038754909 569806965 /nfs/dbraw/zinc/80/69/65/569806965.db2.gz QXLMGRNSAMMSJH-MUUNZHRXSA-N 0 0 482.609 4.619 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000038755413 569807052 /nfs/dbraw/zinc/80/70/52/569807052.db2.gz LJDFMESTHNWAOM-UHFFFAOYSA-N 0 0 479.341 4.833 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000038756743 569807414 /nfs/dbraw/zinc/80/74/14/569807414.db2.gz YVXAIXVWVHULPR-UHFFFAOYSA-N 0 0 472.994 4.902 40 0 JJABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000038772323 569807641 /nfs/dbraw/zinc/80/76/41/569807641.db2.gz QNFFOFWFDYWHOR-AWEZNQCLSA-N 0 0 473.397 4.552 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038772737 569807752 /nfs/dbraw/zinc/80/77/52/569807752.db2.gz AOVPVKLYAFSVOB-MRXNPFEDSA-N 0 0 499.460 4.811 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000038773224 569807844 /nfs/dbraw/zinc/80/78/44/569807844.db2.gz RCOIWWCKRPRJJJ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN Cc1ccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)cc1 ZINC000039556209 569810247 /nfs/dbraw/zinc/81/02/47/569810247.db2.gz UVEBJVCAOCIPAW-ZVHZXABRSA-N 0 0 482.515 4.820 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccccc4NC(C)=O)cc3)s2)cc1 ZINC000039767189 569811741 /nfs/dbraw/zinc/81/17/41/569811741.db2.gz WJVDGAGHVXZBGP-UHFFFAOYSA-N 0 0 487.541 4.677 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)s2)cc1 ZINC000039772298 569811813 /nfs/dbraw/zinc/81/18/13/569811813.db2.gz DKMUCGTYBPUXFM-UHFFFAOYSA-N 0 0 473.558 4.784 40 0 JJABRN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccccc1F ZINC000102467143 569813360 /nfs/dbraw/zinc/81/33/60/569813360.db2.gz RLEKLRNANFWEKB-SXGWCWSVSA-N 0 0 451.317 4.705 40 0 JJABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1 ZINC000040033134 569814398 /nfs/dbraw/zinc/81/43/98/569814398.db2.gz SSASIBVXZGDNNA-OXWVMCNISA-N 0 0 494.616 4.726 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102698420 569816083 /nfs/dbraw/zinc/81/60/83/569816083.db2.gz XGWGFGYXGUMXJS-XPWALMASSA-N 0 0 482.895 4.547 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102698717 569816165 /nfs/dbraw/zinc/81/61/65/569816165.db2.gz WBODFGCOJUDTNL-TZRRMPRUSA-N 0 0 478.932 4.717 40 0 JJABRN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102739051 569818899 /nfs/dbraw/zinc/81/88/99/569818899.db2.gz BWJOUYSEFHXRDJ-UODIDJSMSA-N 0 0 466.493 4.605 40 0 JJABRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102739055 569818946 /nfs/dbraw/zinc/81/89/46/569818946.db2.gz BWJOUYSEFHXRDJ-KKUQBAQOSA-N 0 0 466.493 4.605 40 0 JJABRN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccccc3C)c(O)c2ON1c1ccccc1 ZINC000102759030 569821446 /nfs/dbraw/zinc/82/14/46/569821446.db2.gz AIBHKCYLLCQTEJ-XPWALMASSA-N 0 0 493.357 4.817 40 0 JJABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102761064 569822034 /nfs/dbraw/zinc/82/20/34/569822034.db2.gz PRCFAYVJKTVJGO-DSNGMDLFSA-N 0 0 476.504 4.674 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102764162 569822658 /nfs/dbraw/zinc/82/26/58/569822658.db2.gz BVVWUAPNOGNLQI-XPWALMASSA-N 0 0 493.357 4.817 40 0 JJABRN Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccc(Cl)cc45)ccc32)c1-c1ccc(F)cc1 ZINC000040391985 569825374 /nfs/dbraw/zinc/82/53/74/569825374.db2.gz WDFCYNWODZIPKY-UHFFFAOYSA-N 0 0 472.911 4.931 40 0 JJABRN Cc1nn2c(nnc3c2ccn(NC(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396040 569825504 /nfs/dbraw/zinc/82/55/04/569825504.db2.gz KKFXVPRZGAQKMG-UHFFFAOYSA-N 0 0 499.745 4.759 40 0 JJABRN COc1ccc2[nH]cc(CCn3ccc4c(nnc5c(-c6ccc(Cl)cc6)c(C)nn54)c3=O)c2c1 ZINC000040396013 569825512 /nfs/dbraw/zinc/82/55/12/569825512.db2.gz DWUMCGZIKWBSCJ-UHFFFAOYSA-N 0 0 484.947 4.801 40 0 JJABRN Cc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccccc1 ZINC000040396336 569825712 /nfs/dbraw/zinc/82/57/12/569825712.db2.gz JTOYMFJYYSGBCZ-UHFFFAOYSA-N 0 0 464.312 4.710 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399210 569826131 /nfs/dbraw/zinc/82/61/31/569826131.db2.gz CJXPYWWLYSABRS-GFCCVEGCSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399293 569826305 /nfs/dbraw/zinc/82/63/05/569826305.db2.gz DIWCWRKOPFXCMO-LLVKDONJSA-N 0 0 478.723 4.538 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399386 569826634 /nfs/dbraw/zinc/82/66/34/569826634.db2.gz TZHHLRFIUXCRCG-GFCCVEGCSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)c1 ZINC000040399496 569826667 /nfs/dbraw/zinc/82/66/67/569826667.db2.gz RFOUCZCEJZUGPF-HNNXBMFYSA-N 0 0 472.332 4.502 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1C ZINC000040399519 569826731 /nfs/dbraw/zinc/82/67/31/569826731.db2.gz WGEZGOXJEFZVTP-CQSZACIVSA-N 0 0 472.332 4.502 40 0 JJABRN O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12)c1ccccc1 ZINC000103537675 569835996 /nfs/dbraw/zinc/83/59/96/569835996.db2.gz BHNIGGWROQDPDQ-LWSSLDFYSA-N 0 0 488.465 4.978 40 0 JJABRN Cc1cc(C)cc(OCC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000041078139 569836061 /nfs/dbraw/zinc/83/60/61/569836061.db2.gz ZOOYBIVFJKYWJS-UHFFFAOYSA-N 0 0 459.571 4.930 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000103592238 569836526 /nfs/dbraw/zinc/83/65/26/569836526.db2.gz MCIHOKPMSPXJFQ-GOSISDBHSA-N 0 0 461.337 4.532 40 0 JJABRN CC1=C2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2C[C@@H]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000103684468 569836972 /nfs/dbraw/zinc/83/69/72/569836972.db2.gz LHPQFXROUQGOIF-SKWWBAPZSA-N 0 0 483.351 4.645 40 0 JJABRN CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)c3cccc(Cl)c3)cc(=O)n21 ZINC000041089764 569837491 /nfs/dbraw/zinc/83/74/91/569837491.db2.gz LGDIMELDUHXTGL-UHFFFAOYSA-N 0 0 472.332 4.610 40 0 JJABRN CCOc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl ZINC000041091742 569837634 /nfs/dbraw/zinc/83/76/34/569837634.db2.gz CNTKJCPVOLCDEQ-UHFFFAOYSA-N 0 0 471.022 4.835 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=N[C@H]1c1ccccc1OC ZINC000103828646 569838210 /nfs/dbraw/zinc/83/82/10/569838210.db2.gz XWOAITLTYQRZIB-NRFANRHFSA-N 0 0 473.982 4.558 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@H]1c1ccc(F)cc1 ZINC000103828520 569838229 /nfs/dbraw/zinc/83/82/29/569838229.db2.gz SSLBLNHZIHYOJP-QFIPXVFZSA-N 0 0 455.555 4.652 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1cccc(OC)c1 ZINC000103828573 569838238 /nfs/dbraw/zinc/83/82/38/569838238.db2.gz HBPVBWZDTOEHPD-HSZRJFAPSA-N 0 0 467.591 4.521 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@H]1c1ccc(SC)cc1 ZINC000103828890 569838325 /nfs/dbraw/zinc/83/83/25/569838325.db2.gz ZRQBFWKPZJAQAB-QFIPXVFZSA-N 0 0 485.631 4.626 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@H]1c1ccc(SC)cc1 ZINC000103828881 569838330 /nfs/dbraw/zinc/83/83/30/569838330.db2.gz VLXIAXOYCRVNFN-NRFANRHFSA-N 0 0 455.605 4.618 40 0 JJABRN CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)N(C)C2=S)cc1 ZINC000044599042 569838808 /nfs/dbraw/zinc/83/88/08/569838808.db2.gz VBWDPEUZHWLYJS-GRSHGNNSSA-N 0 0 456.365 4.934 40 0 JJABRN Cc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000044791789 569838900 /nfs/dbraw/zinc/83/89/00/569838900.db2.gz SFLMKGZDVQWTMF-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN Cc1ccc(CSCCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044792001 569838980 /nfs/dbraw/zinc/83/89/80/569838980.db2.gz YGQWOSJAZZZCOZ-UHFFFAOYSA-N 0 0 482.671 4.857 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccc(C(C)C)cc2)cc1 ZINC000044792806 569839086 /nfs/dbraw/zinc/83/90/86/569839086.db2.gz ULPHHOCEICRXBM-UHFFFAOYSA-N 0 0 483.659 4.617 40 0 JJABRN CCCC1(CCC)NC(=O)N(CC(=O)N2N=C3C(=Cc4ccco4)CCC[C@H]3[C@H]2c2ccco2)C1=O ZINC000104288346 569844697 /nfs/dbraw/zinc/84/46/97/569844697.db2.gz PCBMUJXAKKTSGD-ZABGBXOTSA-N 0 0 492.576 4.886 40 0 JJABRN CC(C)c1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2Cl)n1C ZINC000106372357 569854089 /nfs/dbraw/zinc/85/40/89/569854089.db2.gz TYPFHEUDUIPFDL-OAHLLOKOSA-N 0 0 472.014 4.814 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000106688996 569854633 /nfs/dbraw/zinc/85/46/33/569854633.db2.gz QVFZMCMTTHIMRP-ZDLGFXPLSA-N 0 0 479.913 4.666 40 0 JJABRN CCOc1c(Br)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1OC ZINC000106759052 569855625 /nfs/dbraw/zinc/85/56/25/569855625.db2.gz GPXOBMPVJPLSAP-AQTBWJFISA-N 0 0 478.364 4.972 40 0 JJABRN CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c(Br)cc1O ZINC000106780975 569855758 /nfs/dbraw/zinc/85/57/58/569855758.db2.gz AZLFTXFGOPYAPT-ODLFYWEKSA-N 0 0 478.364 4.977 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)c1 ZINC000107584893 569856597 /nfs/dbraw/zinc/85/65/97/569856597.db2.gz GWXOAMHWSHZBCR-UHFFFAOYSA-N 0 0 489.391 4.884 40 0 JJABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000107617671 569856763 /nfs/dbraw/zinc/85/67/63/569856763.db2.gz IHLBZXSAJGPCDJ-QFIPXVFZSA-N 0 0 466.607 4.717 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)Cc1ccccc1 ZINC000107665280 569856919 /nfs/dbraw/zinc/85/69/19/569856919.db2.gz ZBDLXGUBDZPVRO-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)NCc1ccccc1 ZINC000107716729 569857089 /nfs/dbraw/zinc/85/70/89/569857089.db2.gz DQXKQIDMWSEKLY-UHFFFAOYSA-N 0 0 452.363 4.797 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccn3-c3cccc(Br)c3)C2=O)o1 ZINC000107750576 569857323 /nfs/dbraw/zinc/85/73/23/569857323.db2.gz FVOHBLCYZWOFII-WOJGMQOQSA-N 0 0 487.331 4.856 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl ZINC000107790491 569857397 /nfs/dbraw/zinc/85/73/97/569857397.db2.gz ASGYWPRTQOIEMJ-INIZCTEOSA-N 0 0 472.014 4.790 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1Cl ZINC000107803822 569857461 /nfs/dbraw/zinc/85/74/61/569857461.db2.gz SEVHEHWXSFOUQP-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000107803840 569857468 /nfs/dbraw/zinc/85/74/68/569857468.db2.gz RFMZBBKAHZWZNM-UHFFFAOYSA-N 0 0 464.587 4.887 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000107806070 569857479 /nfs/dbraw/zinc/85/74/79/569857479.db2.gz VKBQQAOZESVESF-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN COc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC ZINC000107813793 569857555 /nfs/dbraw/zinc/85/75/55/569857555.db2.gz RZLMUBILLCWQBC-UHFFFAOYSA-N 0 0 452.075 4.868 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1Cl ZINC000107977320 569858135 /nfs/dbraw/zinc/85/81/35/569858135.db2.gz IGSUVUJHNLSXHK-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2C)cc1 ZINC000108028786 569858327 /nfs/dbraw/zinc/85/83/27/569858327.db2.gz OICWOWYFAWKTSN-UHFFFAOYSA-N 0 0 461.385 4.504 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000108161561 569858852 /nfs/dbraw/zinc/85/88/52/569858852.db2.gz ALNYTYYFNKYKCO-UHFFFAOYSA-N 0 0 480.586 4.835 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000108176908 569858944 /nfs/dbraw/zinc/85/89/44/569858944.db2.gz GQRKKSHGMIXNSH-UHFFFAOYSA-N 0 0 454.548 4.520 40 0 JJABRN 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ZINC000109030296 569860373 /nfs/dbraw/zinc/86/03/73/569860373.db2.gz LOINNEKXOQPWDX-UHFFFAOYSA-N 0 0 481.803 4.849 40 0 JJABRN O=C1N/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1 ZINC000111504567 569860959 /nfs/dbraw/zinc/86/09/59/569860959.db2.gz SNPIASRLYCYETP-XDHOZWIPSA-N 0 0 456.727 4.986 40 0 JJABRN CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000111673612 569861046 /nfs/dbraw/zinc/86/10/46/569861046.db2.gz OYXCZYJHSIZLME-HAHDFKILSA-N 0 0 493.032 4.912 40 0 JJABRN COc1ccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl ZINC000113932915 569862289 /nfs/dbraw/zinc/86/22/89/569862289.db2.gz WQPJOXKBESRDKU-UHFFFAOYSA-N 0 0 479.385 4.514 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccc(C)cc2)cc1 ZINC000113933980 569862312 /nfs/dbraw/zinc/86/23/12/569862312.db2.gz IWVITQSIQBTTCV-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000113937541 569862429 /nfs/dbraw/zinc/86/24/29/569862429.db2.gz 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CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222540392 569885356 /nfs/dbraw/zinc/88/53/56/569885356.db2.gz ZJMZGJKVSTXZCL-FDDCHVKYSA-N 0 0 461.002 4.758 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000222539419 569885357 /nfs/dbraw/zinc/88/53/57/569885357.db2.gz DANBJLBPSXHXRX-HXUWFJFHSA-N 0 0 481.818 4.813 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000222542765 569885442 /nfs/dbraw/zinc/88/54/42/569885442.db2.gz JTFLDEDHPRQUIR-RUZDIDTESA-N 0 0 464.606 4.753 40 0 JJABRN O=C(NCc1cccc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000222542389 569885446 /nfs/dbraw/zinc/88/54/46/569885446.db2.gz YKIBPTMEGQRXLP-SFHVURJKSA-N 0 0 477.413 4.864 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000222542409 569885469 /nfs/dbraw/zinc/88/54/69/569885469.db2.gz FUALZCLVCFEQOT-HSZRJFAPSA-N 0 0 470.997 4.957 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000222543851 569885477 /nfs/dbraw/zinc/88/54/77/569885477.db2.gz CZLXKZTWNJPMGT-XMMPIXPASA-N 0 0 450.579 4.694 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222545394 569885497 /nfs/dbraw/zinc/88/54/97/569885497.db2.gz HNEBPUFMSCQATI-OAQYLSRUSA-N 0 0 461.002 4.622 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222550830 569885614 /nfs/dbraw/zinc/88/56/14/569885614.db2.gz QIVLCNGVCWMKFE-SANMLTNESA-N 0 0 488.628 4.795 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1F ZINC000222553128 569885691 /nfs/dbraw/zinc/88/56/91/569885691.db2.gz UVWTXOHDIPVVSC-JPYJTQIMSA-N 0 0 460.615 4.790 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222570673 569886027 /nfs/dbraw/zinc/88/60/27/569886027.db2.gz KQHCCHCIYUQXIU-HNNXBMFYSA-N 0 0 481.818 4.768 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222570758 569886045 /nfs/dbraw/zinc/88/60/45/569886045.db2.gz CRPRAORXXRWDDG-OAHLLOKOSA-N 0 0 495.845 4.942 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222577572 569886158 /nfs/dbraw/zinc/88/61/58/569886158.db2.gz GFVKZWCLHWVMST-UHFFFAOYSA-N 0 0 490.581 4.889 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222578059 569886202 /nfs/dbraw/zinc/88/62/02/569886202.db2.gz MIFKQNURTATHLW-UHFFFAOYSA-N 0 0 496.972 4.925 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222579369 569886252 /nfs/dbraw/zinc/88/62/52/569886252.db2.gz JHAPYLKREVCLCR-AREMUKBSSA-N 0 0 462.565 4.714 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000222581987 569886277 /nfs/dbraw/zinc/88/62/77/569886277.db2.gz NDKOYBCRDSWUDU-DEOSSOPVSA-N 0 0 468.569 4.584 40 0 JJABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 ZINC000222583879 569886315 /nfs/dbraw/zinc/88/63/15/569886315.db2.gz XEERWGHIJASXNX-UHFFFAOYSA-N 0 0 492.956 4.680 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222590893 569886481 /nfs/dbraw/zinc/88/64/81/569886481.db2.gz FJFYQUWCTHXZHG-YKSBVNFPSA-N 0 0 471.601 4.565 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c2ccccc12 ZINC000222594420 569886522 /nfs/dbraw/zinc/88/65/22/569886522.db2.gz MCGBXZJSHPZXFJ-UHFFFAOYSA-N 0 0 476.554 4.842 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000222592781 569886545 /nfs/dbraw/zinc/88/65/45/569886545.db2.gz NLHDFDVMOSUQRG-UHFFFAOYSA-N 0 0 496.972 4.925 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000222601869 569886700 /nfs/dbraw/zinc/88/67/00/569886700.db2.gz OLIGZZCBJGWRNY-PGRDOPGGSA-N 0 0 475.427 4.593 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000222601788 569886708 /nfs/dbraw/zinc/88/67/08/569886708.db2.gz OLIGZZCBJGWRNY-XMSQKQJNSA-N 0 0 475.427 4.593 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222602121 569886746 /nfs/dbraw/zinc/88/67/46/569886746.db2.gz JPBWIOSMNPBZGQ-AUSIDOKSSA-N 0 0 489.454 4.901 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc4ccccc43)C2)cc1Cl ZINC000222604032 569886803 /nfs/dbraw/zinc/88/68/03/569886803.db2.gz WBZVFCPYYCKXEE-HXUWFJFHSA-N 0 0 487.021 4.609 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222641068 569887588 /nfs/dbraw/zinc/88/75/88/569887588.db2.gz DXVNTMFOTOZKEJ-NRFANRHFSA-N 0 0 479.390 4.607 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222643432 569887636 /nfs/dbraw/zinc/88/76/36/569887636.db2.gz UYUDVWVWFORPJQ-IBGZPJMESA-N 0 0 499.808 4.952 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222666812 569888014 /nfs/dbraw/zinc/88/80/14/569888014.db2.gz NSEDSJWPICAKRL-HXUWFJFHSA-N 0 0 471.601 4.912 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222670299 569888127 /nfs/dbraw/zinc/88/81/27/569888127.db2.gz LEBGSJXYORTYQF-SFHVURJKSA-N 0 0 457.423 4.676 40 0 JJABRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000222671544 569888164 /nfs/dbraw/zinc/88/81/64/569888164.db2.gz RKVPTKDYWAZNEF-HXUWFJFHSA-N 0 0 496.629 4.778 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222677583 569888261 /nfs/dbraw/zinc/88/82/61/569888261.db2.gz QRIGQUSWCJLZBB-VWLOTQADSA-N 0 0 493.445 4.995 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000222681902 569888376 /nfs/dbraw/zinc/88/83/76/569888376.db2.gz SUCOPWHJSKWWFF-LJQANCHMSA-N 0 0 480.586 4.675 40 0 JJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)ccc2C)c1 ZINC000222681842 569888411 /nfs/dbraw/zinc/88/84/11/569888411.db2.gz SUCOPWHJSKWWFF-IBGZPJMESA-N 0 0 480.586 4.675 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCCc3cc(OC)ccc32)cc1 ZINC000222705483 569889091 /nfs/dbraw/zinc/88/90/91/569889091.db2.gz QMBTYTHRAWYNHN-KDYMBEQYSA-N 0 0 462.571 4.730 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222713251 569889305 /nfs/dbraw/zinc/88/93/05/569889305.db2.gz CZUOFCSBQPEBJA-VWLOTQADSA-N 0 0 492.591 4.625 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000222743646 569890080 /nfs/dbraw/zinc/89/00/80/569890080.db2.gz OXWONIQZUGBCOB-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 ZINC000222752922 569890300 /nfs/dbraw/zinc/89/03/00/569890300.db2.gz XZNBVFNNZSLUNB-UHFFFAOYSA-N 0 0 474.582 4.750 40 0 JJABRN Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222752808 569890304 /nfs/dbraw/zinc/89/03/04/569890304.db2.gz INEGEFRZGFKZCK-SANMLTNESA-N 0 0 476.592 4.925 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2ccccc2C)cc1 ZINC000222755808 569890388 /nfs/dbraw/zinc/89/03/88/569890388.db2.gz OATVOCZKALJJIX-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)c(C)c1 ZINC000222764042 569890537 /nfs/dbraw/zinc/89/05/37/569890537.db2.gz FAYIKCUYLVTNRZ-ZDUSSCGKSA-N 0 0 488.209 4.606 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222765594 569890562 /nfs/dbraw/zinc/89/05/62/569890562.db2.gz BFRYHNGHSMPFNR-OAHLLOKOSA-N 0 0 451.394 4.833 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cc(Cl)c(Cl)cc1Cl ZINC000222768151 569890626 /nfs/dbraw/zinc/89/06/26/569890626.db2.gz UTSRNISHFKMWMS-UHFFFAOYSA-N 0 0 471.793 4.882 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 ZINC000222776547 569890831 /nfs/dbraw/zinc/89/08/31/569890831.db2.gz DEQIXHKYENTDJZ-UHFFFAOYSA-N 0 0 462.546 4.875 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F ZINC000222786537 569891067 /nfs/dbraw/zinc/89/10/67/569891067.db2.gz NXPRTGBKCZOURH-JOCHJYFZSA-N 0 0 489.374 4.897 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 ZINC000222788947 569891106 /nfs/dbraw/zinc/89/11/06/569891106.db2.gz JLJOMJWWIBWYFR-SANMLTNESA-N 0 0 480.555 4.756 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000222792109 569891211 /nfs/dbraw/zinc/89/12/11/569891211.db2.gz XSKVULFLUFMNGT-HXUWFJFHSA-N 0 0 471.450 4.979 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N(C)Cc1ccccc1F ZINC000222799451 569891391 /nfs/dbraw/zinc/89/13/91/569891391.db2.gz XVNAEYZLNYMJJR-UHFFFAOYSA-N 0 0 476.957 4.626 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2)cc1C ZINC000222809986 569891714 /nfs/dbraw/zinc/89/17/14/569891714.db2.gz HNSGODLFIRXYRP-HXUWFJFHSA-N 0 0 464.587 4.769 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1C ZINC000222812199 569891750 /nfs/dbraw/zinc/89/17/50/569891750.db2.gz NSEWFGCXAQKHOM-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN O=c1sc2cc(S(=O)(=O)NCc3ccc4ccccc4c3)ccc2n1Cc1ccccc1 ZINC000222824327 569892010 /nfs/dbraw/zinc/89/20/10/569892010.db2.gz LYBGICJSFZKFNQ-UHFFFAOYSA-N 0 0 460.580 4.743 40 0 JJABRN COc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222826802 569892055 /nfs/dbraw/zinc/89/20/55/569892055.db2.gz ZEFAWYHSIARRLT-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000222830886 569892098 /nfs/dbraw/zinc/89/20/98/569892098.db2.gz BZPCZGMVBWTSRU-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1F ZINC000222834579 569892203 /nfs/dbraw/zinc/89/22/03/569892203.db2.gz SEDZWJGCDCGJKZ-JOCHJYFZSA-N 0 0 489.374 4.897 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222834732 569892252 /nfs/dbraw/zinc/89/22/52/569892252.db2.gz VFHFRUZSQZEHQR-HSZRJFAPSA-N 0 0 489.374 4.897 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCOc2ccccc21 ZINC000222838826 569892311 /nfs/dbraw/zinc/89/23/11/569892311.db2.gz AITXDTRYTACVOD-UHFFFAOYSA-N 0 0 493.368 4.599 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccc(C)cc2)cc1 ZINC000222842110 569892429 /nfs/dbraw/zinc/89/24/29/569892429.db2.gz YPKYZVFRUCBKNH-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222847994 569892615 /nfs/dbraw/zinc/89/26/15/569892615.db2.gz HRFHBPJGBAJRMQ-KRWDZBQOSA-N 0 0 456.373 4.665 40 0 JJABRN O=C(NCc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000222852738 569892782 /nfs/dbraw/zinc/89/27/82/569892782.db2.gz VFCPKTRRTPCMSW-UHFFFAOYSA-N 0 0 456.995 4.988 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3cccc4ccccc43)c2)CC1 ZINC000222857096 569892896 /nfs/dbraw/zinc/89/28/96/569892896.db2.gz LRZZRQOLEHIBRL-UHFFFAOYSA-N 0 0 456.995 4.844 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000222873896 569893269 /nfs/dbraw/zinc/89/32/69/569893269.db2.gz DDXISMMWKOLSOS-CYBMUJFWSA-N 0 0 462.921 4.565 40 0 JJABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222878832 569893360 /nfs/dbraw/zinc/89/33/60/569893360.db2.gz RHNCMABPXWJFGO-SFHVURJKSA-N 0 0 454.929 4.592 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000222882796 569893481 /nfs/dbraw/zinc/89/34/81/569893481.db2.gz GACHTQSDEQNLAW-QHCPKHFHSA-N 0 0 461.002 4.840 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000222883905 569893498 /nfs/dbraw/zinc/89/34/98/569893498.db2.gz BIZUXYIZYXTHKU-AREMUKBSSA-N 0 0 488.628 4.758 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000222884077 569893500 /nfs/dbraw/zinc/89/35/00/569893500.db2.gz JEDAYMVFXRCOGH-SFHVURJKSA-N 0 0 498.982 4.773 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1c(F)cccc1Cl ZINC000222890373 569893723 /nfs/dbraw/zinc/89/37/23/569893723.db2.gz KOZDYPJWXCOIFD-CQSZACIVSA-N 0 0 457.398 4.919 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222897956 569893868 /nfs/dbraw/zinc/89/38/68/569893868.db2.gz OCQZKNLTWGCTIA-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222904850 569894017 /nfs/dbraw/zinc/89/40/17/569894017.db2.gz USZINEJZSXVKMK-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1OC ZINC000222923053 569894488 /nfs/dbraw/zinc/89/44/88/569894488.db2.gz RNMNJPUAOJGUBB-IBZADVPGSA-N 0 0 476.573 4.940 40 0 JJABRN C[C@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222925566 569894526 /nfs/dbraw/zinc/89/45/26/569894526.db2.gz ZSUWUXSDYYSQAX-AWEZNQCLSA-N 0 0 455.407 4.516 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222933365 569894780 /nfs/dbraw/zinc/89/47/80/569894780.db2.gz DESWFOMPTYCMTH-HXUWFJFHSA-N 0 0 495.845 4.856 40 0 JJABRN COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222935603 569894852 /nfs/dbraw/zinc/89/48/52/569894852.db2.gz HESMYAWCYHPEAQ-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)Oc3ccccc32)cc1 ZINC000222937575 569894937 /nfs/dbraw/zinc/89/49/37/569894937.db2.gz JLQDCMDANLFEES-DCFHFQCYSA-N 0 0 490.625 4.708 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1Br ZINC000222953460 569895348 /nfs/dbraw/zinc/89/53/48/569895348.db2.gz UWVMWUGAHIGLER-FQEVSTJZSA-N 0 0 469.379 4.535 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 ZINC000222964916 569895671 /nfs/dbraw/zinc/89/56/71/569895671.db2.gz NMEIGYNSHJZUMY-GOSISDBHSA-N 0 0 475.054 4.638 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000222970473 569895768 /nfs/dbraw/zinc/89/57/68/569895768.db2.gz RSPZOCOXLPKLEV-HKWRFOASSA-N 0 0 486.977 4.630 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000222976296 569895918 /nfs/dbraw/zinc/89/59/18/569895918.db2.gz KSSJNYJGGDUYDA-UHFFFAOYSA-N 0 0 480.630 4.722 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222980671 569896010 /nfs/dbraw/zinc/89/60/10/569896010.db2.gz AQGCYXPNZAMSCE-OAHLLOKOSA-N 0 0 479.404 4.987 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222981579 569896055 /nfs/dbraw/zinc/89/60/55/569896055.db2.gz FQKZNAWKOFAOAD-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C ZINC000222985599 569896223 /nfs/dbraw/zinc/89/62/23/569896223.db2.gz GZOWRAFGUMIMNH-OAHLLOKOSA-N 0 0 467.393 4.713 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000222986448 569896239 /nfs/dbraw/zinc/89/62/39/569896239.db2.gz PJLRSJYXOMXGPN-NRFANRHFSA-N 0 0 454.611 4.750 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222987141 569896259 /nfs/dbraw/zinc/89/62/59/569896259.db2.gz SEYPFTHEOHSYFP-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000222996285 569896450 /nfs/dbraw/zinc/89/64/50/569896450.db2.gz RSOFQVNDHSKVKO-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000223005918 569896688 /nfs/dbraw/zinc/89/66/88/569896688.db2.gz FLHGKGIAHSYBEQ-UHFFFAOYSA-N 0 0 454.379 4.721 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223021051 569897011 /nfs/dbraw/zinc/89/70/11/569897011.db2.gz UZIOQBUZOXIEAA-KRWDZBQOSA-N 0 0 475.427 4.679 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223025919 569897141 /nfs/dbraw/zinc/89/71/41/569897141.db2.gz IPUNUPWGVZZYOQ-HHHXNRCGSA-N 0 0 476.592 4.789 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223026444 569897142 /nfs/dbraw/zinc/89/71/42/569897142.db2.gz LDKXGGBMEXZGJU-PMACEKPBSA-N 0 0 458.381 4.723 40 0 JJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 ZINC000223029450 569897228 /nfs/dbraw/zinc/89/72/28/569897228.db2.gz VTTBXMQSRFRODK-PMACEKPBSA-N 0 0 476.371 4.862 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223031430 569897297 /nfs/dbraw/zinc/89/72/97/569897297.db2.gz IUGPCSVVFPAYMQ-ROUUACIJSA-N 0 0 463.043 4.914 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223035286 569897426 /nfs/dbraw/zinc/89/74/26/569897426.db2.gz RFNACGWUBQUOEV-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223034909 569897437 /nfs/dbraw/zinc/89/74/37/569897437.db2.gz VTHFLGOAURDCEW-AWEZNQCLSA-N 0 0 469.832 4.748 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223041987 569897580 /nfs/dbraw/zinc/89/75/80/569897580.db2.gz CJHHFLOBAJAJMV-OAQYLSRUSA-N 0 0 469.434 4.906 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223046704 569897692 /nfs/dbraw/zinc/89/76/92/569897692.db2.gz WKZCZTGRFYFQGN-NRFANRHFSA-N 0 0 489.454 4.987 40 0 JJABRN COc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223049315 569897719 /nfs/dbraw/zinc/89/77/19/569897719.db2.gz BPUVDWWCGBWRHR-LJQANCHMSA-N 0 0 454.611 4.704 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223061417 569898153 /nfs/dbraw/zinc/89/81/53/569898153.db2.gz UBQMVDMZVLKYQD-OALUTQOASA-N 0 0 461.002 4.840 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223062903 569898188 /nfs/dbraw/zinc/89/81/88/569898188.db2.gz QNIDLALPDCJFSL-CVEARBPZSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223064805 569898315 /nfs/dbraw/zinc/89/83/15/569898315.db2.gz QZGFWBFYMHCSMP-VGOFRKELSA-N 0 0 463.043 4.949 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223068049 569898391 /nfs/dbraw/zinc/89/83/91/569898391.db2.gz DFYNCWBGTLJSTN-VSGBNLITSA-N 0 0 470.613 4.555 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc2ccccc21 ZINC000223069221 569898443 /nfs/dbraw/zinc/89/84/43/569898443.db2.gz OQZZRAQQZLAGIM-KRWDZBQOSA-N 0 0 469.379 4.535 40 0 JJABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223070222 569898478 /nfs/dbraw/zinc/89/84/78/569898478.db2.gz MEMDKBAYACYNCA-AREMUKBSSA-N 0 0 479.020 4.675 40 0 JJABRN CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223076824 569898758 /nfs/dbraw/zinc/89/87/58/569898758.db2.gz XQMCUQQQBLLUHD-MUUNZHRXSA-N 0 0 488.628 4.637 40 0 JJABRN Cc1cccc(N(CCCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)S(C)(=O)=O)c1C ZINC000223079050 569898819 /nfs/dbraw/zinc/89/88/19/569898819.db2.gz RPJYVPFYHDDATH-UHFFFAOYSA-N 0 0 498.649 4.514 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)Cc2ccccc2)c2cc(C)ccc2C)cc1 ZINC000223079749 569898829 /nfs/dbraw/zinc/89/88/29/569898829.db2.gz RNVPOTHILDTRNA-UHFFFAOYSA-N 0 0 464.631 4.945 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000223085272 569899008 /nfs/dbraw/zinc/89/90/08/569899008.db2.gz FBJWRZPZLDOTGM-HUUCEWRRSA-N 0 0 455.357 4.843 40 0 JJABRN CC[C@H](NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223090103 569899120 /nfs/dbraw/zinc/89/91/20/569899120.db2.gz AKRGKXGBDLTBGR-QHCPKHFHSA-N 0 0 472.676 4.953 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223091749 569899194 /nfs/dbraw/zinc/89/91/94/569899194.db2.gz JEBZMDBWVPLRGX-IBGZPJMESA-N 0 0 454.611 4.704 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093070 569899243 /nfs/dbraw/zinc/89/92/43/569899243.db2.gz MTJHYYFZMQTOAF-OAHLLOKOSA-N 0 0 451.394 4.877 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223108536 569899642 /nfs/dbraw/zinc/89/96/42/569899642.db2.gz MABCBDXLIXHNIQ-MHZLTWQESA-N 0 0 491.591 4.576 40 0 JJABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000223112336 569899782 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JJABRN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)ccc1Cl ZINC000223320676 569907415 /nfs/dbraw/zinc/90/74/15/569907415.db2.gz UONWKKFIQAHWAC-NMNUPHIUSA-N 0 0 453.011 4.986 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(SC(C)C)s2)c2ccc(C)cc2C)cc1 ZINC000223321368 569907465 /nfs/dbraw/zinc/90/74/65/569907465.db2.gz VBNSIKKSBIIFTG-UHFFFAOYSA-N 0 0 490.676 4.798 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccccc1F ZINC000223324686 569907616 /nfs/dbraw/zinc/90/76/16/569907616.db2.gz JLLWYAXHCJCRIS-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1 ZINC000223327654 569907652 /nfs/dbraw/zinc/90/76/52/569907652.db2.gz KZJNJWGPKDQCRG-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1)c1ccc(OC)c(C)c1 ZINC000223326742 569907668 /nfs/dbraw/zinc/90/76/68/569907668.db2.gz SUYMDBDFWJGNEZ-VWLOTQADSA-N 0 0 496.629 4.783 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223330816 569907819 /nfs/dbraw/zinc/90/78/19/569907819.db2.gz XHWVYUFPRUATCG-FQEVSTJZSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1NS(=O)(=O)c1ccccc1 ZINC000223332816 569907833 /nfs/dbraw/zinc/90/78/33/569907833.db2.gz WUXNTOXWDHTNQU-UHFFFAOYSA-N 0 0 450.545 4.567 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C(C)C ZINC000223334928 569907878 /nfs/dbraw/zinc/90/78/78/569907878.db2.gz KUJOYAWSUWOUTI-IBGZPJMESA-N 0 0 460.640 4.894 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1C(C)C ZINC000223337808 569907931 /nfs/dbraw/zinc/90/79/31/569907931.db2.gz NIXNMPZUZBHLDW-NRFANRHFSA-N 0 0 486.678 4.855 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1cc(CC)ccc1CC)S(=O)(=O)c1ccccc1 ZINC000223345467 569908071 /nfs/dbraw/zinc/90/80/71/569908071.db2.gz JIRWNAPRXKAJRA-UHFFFAOYSA-N 0 0 480.630 4.722 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000223350870 569908298 /nfs/dbraw/zinc/90/82/98/569908298.db2.gz VGRWOIUFOXYOPF-UHFFFAOYSA-N 0 0 478.599 4.656 40 0 JJABRN COc1cccc(Oc2ccc(Cl)cc2NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000223353906 569908387 /nfs/dbraw/zinc/90/83/87/569908387.db2.gz CDEVSIVAVKPFNB-JOCHJYFZSA-N 0 0 474.966 4.712 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(C)c1 ZINC000223360102 569908647 /nfs/dbraw/zinc/90/86/47/569908647.db2.gz PKTNKUZXJRHHBL-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1F ZINC000223360466 569908682 /nfs/dbraw/zinc/90/86/82/569908682.db2.gz OVCSBKXIFSKMMC-HSZRJFAPSA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223363702 569908890 /nfs/dbraw/zinc/90/88/90/569908890.db2.gz ZACDZKHOXPJIPO-HSZRJFAPSA-N 0 0 480.992 4.504 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000223363760 569908899 /nfs/dbraw/zinc/90/88/99/569908899.db2.gz ZACDZKHOXPJIPO-QHCPKHFHSA-N 0 0 480.992 4.504 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C(C)C ZINC000223367207 569909035 /nfs/dbraw/zinc/90/90/35/569909035.db2.gz AMQKJSBMVQZMKF-OAHLLOKOSA-N 0 0 453.004 4.667 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C(C)C ZINC000223367128 569909045 /nfs/dbraw/zinc/90/90/45/569909045.db2.gz YJNMRYLCNFRJQL-HNNXBMFYSA-N 0 0 453.004 4.667 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368640 569909079 /nfs/dbraw/zinc/90/90/79/569909079.db2.gz MHBHUDWEXROFMO-XZOQPEGZSA-N 0 0 459.527 4.894 40 0 JJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223368957 569909127 /nfs/dbraw/zinc/90/91/27/569909127.db2.gz GQRLRHJWAZWHIT-DHIUTWEWSA-N 0 0 459.527 4.894 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223372601 569909197 /nfs/dbraw/zinc/90/91/97/569909197.db2.gz XJXWGFHFMKZSIZ-INIZCTEOSA-N 0 0 479.404 4.988 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223371257 569909211 /nfs/dbraw/zinc/90/92/11/569909211.db2.gz QTWFSNKRYIUJAC-HOFKKMOUSA-N 0 0 458.602 4.929 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223373997 569909242 /nfs/dbraw/zinc/90/92/42/569909242.db2.gz VQIHGVLNPJPHFT-OAHLLOKOSA-N 0 0 455.357 4.845 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000223390877 569909661 /nfs/dbraw/zinc/90/96/61/569909661.db2.gz YAYNRWCNBMUPSZ-UONOGXRCSA-N 0 0 476.948 4.953 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000223400737 569909922 /nfs/dbraw/zinc/90/99/22/569909922.db2.gz VXFCFHVQGKTSNW-UHFFFAOYSA-N 0 0 476.520 4.910 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1F ZINC000223405298 569910104 /nfs/dbraw/zinc/91/01/04/569910104.db2.gz AJASEMATZYOIMM-QHCPKHFHSA-N 0 0 468.956 4.634 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 ZINC000223406181 569910130 /nfs/dbraw/zinc/91/01/30/569910130.db2.gz RDILNPYTSAILLN-RPBOFIJWSA-N 0 0 468.582 4.832 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 ZINC000223412438 569910429 /nfs/dbraw/zinc/91/04/29/569910429.db2.gz GGVLCRGZBXLEPH-RPBOFIJWSA-N 0 0 455.587 4.757 40 0 JJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223415490 569910530 /nfs/dbraw/zinc/91/05/30/569910530.db2.gz QFUQCFNCLWBXSJ-JWQCQUIFSA-N 0 0 455.587 4.508 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1C ZINC000223416346 569910558 /nfs/dbraw/zinc/91/05/58/569910558.db2.gz JWASMAZKQBRSSH-OAHLLOKOSA-N 0 0 476.948 4.927 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000223424040 569910839 /nfs/dbraw/zinc/91/08/39/569910839.db2.gz ISHHUFBSYIELEB-QFIPXVFZSA-N 0 0 480.630 4.834 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1Cl ZINC000223425087 569910869 /nfs/dbraw/zinc/91/08/69/569910869.db2.gz NHPOGNQQHLNUPN-GOSISDBHSA-N 0 0 463.043 4.915 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000223429105 569911046 /nfs/dbraw/zinc/91/10/46/569911046.db2.gz AKPJCWSXGLZNCI-BVAGGSTKSA-N 0 0 488.628 4.937 40 0 JJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 ZINC000223433098 569911223 /nfs/dbraw/zinc/91/12/23/569911223.db2.gz INMPCFYISAECQE-LOSJGSFVSA-N 0 0 456.571 4.759 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C(=O)N1CCCCCC1 ZINC000223433565 569911272 /nfs/dbraw/zinc/91/12/72/569911272.db2.gz RZFUPJSLSLPYAY-FQEVSTJZSA-N 0 0 458.624 4.676 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223435923 569911342 /nfs/dbraw/zinc/91/13/42/569911342.db2.gz MPYXLGZACIIZPN-FQEVSTJZSA-N 0 0 479.390 4.689 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)cc1 ZINC000223445869 569911596 /nfs/dbraw/zinc/91/15/96/569911596.db2.gz KSLHKGZCIUSLLH-UIOOFZCWSA-N 0 0 498.608 4.840 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1cccnc1 ZINC000223450891 569911740 /nfs/dbraw/zinc/91/17/40/569911740.db2.gz MVSBGOMXGIGNLE-RPBOFIJWSA-N 0 0 454.603 4.511 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 ZINC000223452621 569911795 /nfs/dbraw/zinc/91/17/95/569911795.db2.gz RWJHEXAFZNPQQG-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223456228 569911902 /nfs/dbraw/zinc/91/19/02/569911902.db2.gz OOKFRKSFVCCZJG-AREMUKBSSA-N 0 0 494.632 4.844 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1C ZINC000223460051 569912002 /nfs/dbraw/zinc/91/20/02/569912002.db2.gz UAKSWDUPKUGJGO-GOSISDBHSA-N 0 0 481.033 4.824 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1C ZINC000223460361 569912074 /nfs/dbraw/zinc/91/20/74/569912074.db2.gz GGIZTDCVCQAHAY-LJQANCHMSA-N 0 0 463.043 4.684 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000223461795 569912089 /nfs/dbraw/zinc/91/20/89/569912089.db2.gz DFCKMCQAQQKTOG-UHFFFAOYSA-N 0 0 457.555 4.506 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223468429 569912308 /nfs/dbraw/zinc/91/23/08/569912308.db2.gz ZKGAHRSXPOWKJG-UHFFFAOYSA-N 0 0 494.657 4.991 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 ZINC000223470001 569912372 /nfs/dbraw/zinc/91/23/72/569912372.db2.gz FZOLCIBIXKTGOG-LOSJGSFVSA-N 0 0 454.603 4.506 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223476374 569912575 /nfs/dbraw/zinc/91/25/75/569912575.db2.gz HIQILBLFABEZEH-UHFFFAOYSA-N 0 0 480.630 4.763 40 0 JJABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000223476653 569912654 /nfs/dbraw/zinc/91/26/54/569912654.db2.gz DJVFWOMMXFSBAY-UHFFFAOYSA-N 0 0 480.630 4.817 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1C ZINC000223484865 569913022 /nfs/dbraw/zinc/91/30/22/569913022.db2.gz JFSNFKPOCNHCOR-IBGZPJMESA-N 0 0 451.032 4.997 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1cccnc1 ZINC000223486537 569913079 /nfs/dbraw/zinc/91/30/79/569913079.db2.gz NCDRJNYXQUGNOH-DQEYMECFSA-N 0 0 454.603 4.511 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(=O)(=O)c2ccccc2)cc1 ZINC000223489116 569913172 /nfs/dbraw/zinc/91/31/72/569913172.db2.gz RYJRJCHXQOGMAS-UHFFFAOYSA-N 0 0 472.566 4.781 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc3c4c(cccc42)CC3)S(=O)(=O)c2ccccc2)c1 ZINC000223488063 569913185 /nfs/dbraw/zinc/91/31/85/569913185.db2.gz BSXHWACZDNKSHE-UHFFFAOYSA-N 0 0 472.566 4.781 40 0 JJABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223490771 569913267 /nfs/dbraw/zinc/91/32/67/569913267.db2.gz RHGXWLVVFFICDF-NRFANRHFSA-N 0 0 475.427 4.547 40 0 JJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223490957 569913301 /nfs/dbraw/zinc/91/33/01/569913301.db2.gz HSTWODHHAYGLSC-OAQYLSRUSA-N 0 0 489.454 4.721 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3cccc(N(C)S(=O)(=O)c4ccc(C)cc4)c3)s2)cc1 ZINC000223493946 569913392 /nfs/dbraw/zinc/91/33/92/569913392.db2.gz UAYWWTRYOOKYEM-UHFFFAOYSA-N 0 0 494.598 4.600 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223494763 569913425 /nfs/dbraw/zinc/91/34/25/569913425.db2.gz QQKNHIZZPMSKPV-UHFFFAOYSA-N 0 0 452.498 4.517 40 0 JJABRN O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223496125 569913487 /nfs/dbraw/zinc/91/34/87/569913487.db2.gz WNIFQJZIFOBMLD-XTEPFMGCSA-N 0 0 474.576 4.824 40 0 JJABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1Cl ZINC000223499978 569913724 /nfs/dbraw/zinc/91/37/24/569913724.db2.gz KSJFUNQYHKTMNO-FQEVSTJZSA-N 0 0 453.435 4.823 40 0 JJABRN Cc1ccccc1OCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000223500033 569913739 /nfs/dbraw/zinc/91/37/39/569913739.db2.gz HMNZGGQLQSGHLO-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223499941 569913743 /nfs/dbraw/zinc/91/37/43/569913743.db2.gz AVOPCKMHYFVGGW-UHFFFAOYSA-N 0 0 481.376 4.687 40 0 JJABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 ZINC000223503231 569913804 /nfs/dbraw/zinc/91/38/04/569913804.db2.gz PNSPPVFVMZXJBM-UHFFFAOYSA-N 0 0 475.545 4.646 40 0 JJABRN CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223508950 569913929 /nfs/dbraw/zinc/91/39/29/569913929.db2.gz JKUCQUOZNLIROF-DQEYMECFSA-N 0 0 455.587 4.839 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1cccc2ccccc21 ZINC000223512674 569914136 /nfs/dbraw/zinc/91/41/36/569914136.db2.gz JOXGCIDLKVYEQW-UHFFFAOYSA-N 0 0 495.000 4.884 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223515210 569914212 /nfs/dbraw/zinc/91/42/12/569914212.db2.gz WUJXNFRUYTWCOT-GOSISDBHSA-N 0 0 456.995 4.764 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 ZINC000223520409 569914418 /nfs/dbraw/zinc/91/44/18/569914418.db2.gz GQVBLBVWAHYPCW-ZEQRLZLVSA-N 0 0 470.554 4.696 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1Cc1cccnc1 ZINC000223525115 569914540 /nfs/dbraw/zinc/91/45/40/569914540.db2.gz GMRWGDGBLCLBGB-RPBOFIJWSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1Cc1cccnc1 ZINC000223525223 569914556 /nfs/dbraw/zinc/91/45/56/569914556.db2.gz GMRWGDGBLCLBGB-DQEYMECFSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000223530246 569914788 /nfs/dbraw/zinc/91/47/88/569914788.db2.gz WOUSCFQFXTXABM-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000223534118 569914927 /nfs/dbraw/zinc/91/49/27/569914927.db2.gz UFHTXOFDHFUNIO-UHFFFAOYSA-N 0 0 488.609 4.923 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223535688 569914970 /nfs/dbraw/zinc/91/49/70/569914970.db2.gz NTACUNIALOJYPV-QGZVFWFLSA-N 0 0 469.379 4.535 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1ccccc1Oc1ccccc1 ZINC000223546440 569915487 /nfs/dbraw/zinc/91/54/87/569915487.db2.gz CTMZQWHJZFGBFL-UHFFFAOYSA-N 0 0 490.581 4.593 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223547350 569915495 /nfs/dbraw/zinc/91/54/95/569915495.db2.gz BKJFKYGKNWSLKF-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(=O)N1CCCCC1 ZINC000223547202 569915504 /nfs/dbraw/zinc/91/55/04/569915504.db2.gz IMSGFVWJOBBPKW-UHFFFAOYSA-N 0 0 484.643 4.545 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000223547174 569915506 /nfs/dbraw/zinc/91/55/06/569915506.db2.gz APIADKLERJOKAR-DEOSSOPVSA-N 0 0 479.418 4.768 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000223550710 569915648 /nfs/dbraw/zinc/91/56/48/569915648.db2.gz UMYAXZKUZMLLPL-HHHXNRCGSA-N 0 0 460.574 4.890 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Br)cc1 ZINC000223551327 569915677 /nfs/dbraw/zinc/91/56/77/569915677.db2.gz IAVDKXGYJHSCIK-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223551951 569915696 /nfs/dbraw/zinc/91/56/96/569915696.db2.gz CWNPFCAWVCDXKY-JOCHJYFZSA-N 0 0 468.638 4.793 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1 ZINC000223552695 569915715 /nfs/dbraw/zinc/91/57/15/569915715.db2.gz WHNIFJCDBLKQFN-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2cc(C)cc(C)c2)cc1 ZINC000223553310 569915716 /nfs/dbraw/zinc/91/57/16/569915716.db2.gz QDJXECYUCSMNQC-JOCHJYFZSA-N 0 0 450.604 4.727 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(Cl)cc2)c2ccc(C)c(C)c2)cc1 ZINC000223554756 569915782 /nfs/dbraw/zinc/91/57/82/569915782.db2.gz FTWSEYUJWSARAP-UHFFFAOYSA-N 0 0 471.022 4.819 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223557455 569915875 /nfs/dbraw/zinc/91/58/75/569915875.db2.gz PUHFLBQOZZXILB-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223558008 569915935 /nfs/dbraw/zinc/91/59/35/569915935.db2.gz WUUIUVMXMARMFZ-OAQYLSRUSA-N 0 0 450.604 4.673 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000223560161 569916000 /nfs/dbraw/zinc/91/60/00/569916000.db2.gz SUTGNQRYWWODNQ-UHFFFAOYSA-N 0 0 468.594 4.812 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C(=O)NCc2ccncc2)c2ccccc2)cc1 ZINC000223560823 569916068 /nfs/dbraw/zinc/91/60/68/569916068.db2.gz SNMAAKACNWESDX-GDLZYMKVSA-N 0 0 479.580 4.719 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCCCOC(C)C)c2ccccc2)cc1 ZINC000223561244 569916132 /nfs/dbraw/zinc/91/61/32/569916132.db2.gz IPKFTDBIFSGNCG-LJAQVGFWSA-N 0 0 488.628 4.939 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561403 569916151 /nfs/dbraw/zinc/91/61/51/569916151.db2.gz KQABCCGBGLDXIP-BJKOFHAPSA-N 0 0 470.554 4.696 40 0 JJABRN CC[C@H](C(=O)NCCOc1cccc2ccccc21)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223564499 569916256 /nfs/dbraw/zinc/91/62/56/569916256.db2.gz BZJCAAZMFGJQBH-OAQYLSRUSA-N 0 0 495.428 4.886 40 0 JJABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000223564790 569916279 /nfs/dbraw/zinc/91/62/79/569916279.db2.gz TYUQWCUGEYWXMM-PXJZQJOASA-N 0 0 486.612 4.693 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000223565201 569916297 /nfs/dbraw/zinc/91/62/97/569916297.db2.gz APYBRRBYJLEELH-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223566444 569916327 /nfs/dbraw/zinc/91/63/27/569916327.db2.gz UIVFXSLGCSPYDN-VWLOTQADSA-N 0 0 450.966 4.797 40 0 JJABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 ZINC000223571076 569916427 /nfs/dbraw/zinc/91/64/27/569916427.db2.gz UIHGOVPIGWLZRF-MHZLTWQESA-N 0 0 460.574 4.760 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(Br)cc2)cc1 ZINC000223569573 569916434 /nfs/dbraw/zinc/91/64/34/569916434.db2.gz IKCVXTXIBTYLDK-UHFFFAOYSA-N 0 0 477.424 4.569 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223578329 569916684 /nfs/dbraw/zinc/91/66/84/569916684.db2.gz XVWWIOABASKUDG-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccc2ccccc2c1 ZINC000223585050 569916998 /nfs/dbraw/zinc/91/69/98/569916998.db2.gz ZJFYURFRBMWKNI-UHFFFAOYSA-N 0 0 495.000 4.884 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223588355 569917084 /nfs/dbraw/zinc/91/70/84/569917084.db2.gz SRFKCYYEOHWFMD-HSZRJFAPSA-N 0 0 472.651 4.659 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2cc(Cl)ccc2C)cc1 ZINC000223602443 569917479 /nfs/dbraw/zinc/91/74/79/569917479.db2.gz UFISVJLFJKWNEO-UHFFFAOYSA-N 0 0 474.985 4.650 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000223606332 569917677 /nfs/dbraw/zinc/91/76/77/569917677.db2.gz QYKKSNUBVXVLQP-UHFFFAOYSA-N 0 0 492.572 4.754 40 0 JJABRN Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000223607373 569917767 /nfs/dbraw/zinc/91/77/67/569917767.db2.gz FVIAPUFXTUMVLF-UHFFFAOYSA-N 0 0 460.555 4.758 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000223610169 569917775 /nfs/dbraw/zinc/91/77/75/569917775.db2.gz GQHKMGQVSKXSNR-UHFFFAOYSA-N 0 0 464.631 4.941 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223610180 569917793 /nfs/dbraw/zinc/91/77/93/569917793.db2.gz KQNTUSKMTSVYJH-UHFFFAOYSA-N 0 0 488.993 4.637 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223614673 569917948 /nfs/dbraw/zinc/91/79/48/569917948.db2.gz WVCAMMJHSAXKTE-DEOSSOPVSA-N 0 0 454.611 4.885 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223618795 569918093 /nfs/dbraw/zinc/91/80/93/569918093.db2.gz HXRZZPYGFKEKTM-XMMPIXPASA-N 0 0 454.611 4.920 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223618943 569918097 /nfs/dbraw/zinc/91/80/97/569918097.db2.gz MNTUOYXRXQONNH-HSZRJFAPSA-N 0 0 454.611 4.721 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223621051 569918129 /nfs/dbraw/zinc/91/81/29/569918129.db2.gz JELIWZIJSFBXKR-JOCHJYFZSA-N 0 0 460.615 4.790 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1cccc(C)c1 ZINC000223626763 569918313 /nfs/dbraw/zinc/91/83/13/569918313.db2.gz HJFDIDFDHCVACW-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223633353 569918514 /nfs/dbraw/zinc/91/85/14/569918514.db2.gz LACQDSDBHJNZFO-NRFANRHFSA-N 0 0 495.428 4.886 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccc4ccccc4c3)c2)cc1 ZINC000223637587 569918647 /nfs/dbraw/zinc/91/86/47/569918647.db2.gz YQPRIRWSFLVMNY-UHFFFAOYSA-N 0 0 474.582 4.782 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 ZINC000223641733 569918743 /nfs/dbraw/zinc/91/87/43/569918743.db2.gz SMRBDLNGFRRDOH-JOCHJYFZSA-N 0 0 475.427 4.860 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 ZINC000223648026 569918841 /nfs/dbraw/zinc/91/88/41/569918841.db2.gz XSRZPMUXHAUHJJ-FCHUYYIVSA-N 0 0 453.589 4.670 40 0 JJABRN CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000223646799 569918842 /nfs/dbraw/zinc/91/88/42/569918842.db2.gz GRPWQKVPEBNNDQ-UHFFFAOYSA-N 0 0 491.194 4.768 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223655360 569919146 /nfs/dbraw/zinc/91/91/46/569919146.db2.gz QWTUHWPHDLIHCS-OAQYLSRUSA-N 0 0 485.021 4.516 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000223656544 569919206 /nfs/dbraw/zinc/91/92/06/569919206.db2.gz UVWWSGQUJXNQTH-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN CCCSc1nnc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)s1 ZINC000223656929 569919226 /nfs/dbraw/zinc/91/92/26/569919226.db2.gz RXBXVCXQEJRKHE-UHFFFAOYSA-N 0 0 497.067 4.836 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000223661722 569919297 /nfs/dbraw/zinc/91/92/97/569919297.db2.gz FJLQRAVBWBGWSV-CYBMUJFWSA-N 0 0 462.921 4.565 40 0 JJABRN CCc1ccc([C@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 ZINC000223661785 569919335 /nfs/dbraw/zinc/91/93/35/569919335.db2.gz FJLQRAVBWBGWSV-ZDUSSCGKSA-N 0 0 462.921 4.565 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223667577 569919478 /nfs/dbraw/zinc/91/94/78/569919478.db2.gz GXUYVSCBVXCWLD-LEWJYISDSA-N 0 0 486.391 4.640 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223671401 569919551 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JJABRN CCC1(CC)C[C@H](NS(=O)(=O)c2cc(Br)ccc2OC)c2ccccc2O1 ZINC000223839293 569924797 /nfs/dbraw/zinc/92/47/97/569924797.db2.gz FANZWNRWKCKCMZ-INIZCTEOSA-N 0 0 454.386 4.819 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000223845466 569924917 /nfs/dbraw/zinc/92/49/17/569924917.db2.gz MGLBNUUZRKSNMB-UHFFFAOYSA-N 0 0 480.630 4.926 40 0 JJABRN Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1I ZINC000223845932 569924953 /nfs/dbraw/zinc/92/49/53/569924953.db2.gz WFUSBOOBLXEJGR-RBUKOAKNSA-N 0 0 490.370 4.514 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1cccnc1 ZINC000223846879 569924984 /nfs/dbraw/zinc/92/49/84/569924984.db2.gz FXKTTZOMDZSPEY-DQEYMECFSA-N 0 0 455.587 4.826 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223847564 569924997 /nfs/dbraw/zinc/92/49/97/569924997.db2.gz NMMTXDPZEKIPKY-GOSISDBHSA-N 0 0 490.003 4.930 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000223857561 569925298 /nfs/dbraw/zinc/92/52/98/569925298.db2.gz OZIAWEIKRQNMEQ-UHFFFAOYSA-N 0 0 481.058 4.731 40 0 JJABRN CN(c1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000223865030 569925544 /nfs/dbraw/zinc/92/55/44/569925544.db2.gz YYLZYDSMNXNYAX-UHFFFAOYSA-N 0 0 466.603 4.618 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 ZINC000223867319 569925608 /nfs/dbraw/zinc/92/56/08/569925608.db2.gz ZBBWLDYWSLIWPV-JWQCQUIFSA-N 0 0 455.587 4.821 40 0 JJABRN CCCc1ccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223867521 569925647 /nfs/dbraw/zinc/92/56/47/569925647.db2.gz YMZBQZGBXICJQM-UHFFFAOYSA-N 0 0 466.603 4.581 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000223871546 569925753 /nfs/dbraw/zinc/92/57/53/569925753.db2.gz TZNIINOMWDUCKZ-UHFFFAOYSA-N 0 0 482.562 4.563 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1Cl ZINC000223876374 569925875 /nfs/dbraw/zinc/92/58/75/569925875.db2.gz IOSGLURNNLKFSE-AWEZNQCLSA-N 0 0 485.781 4.564 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223878942 569925992 /nfs/dbraw/zinc/92/59/92/569925992.db2.gz POZXZUGSCOJPIM-UHFFFAOYSA-N 0 0 456.652 4.537 40 0 JJABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1cccnc1 ZINC000223890576 569926426 /nfs/dbraw/zinc/92/64/26/569926426.db2.gz XSRRTDCMKXBFSF-DQEYMECFSA-N 0 0 454.603 4.819 40 0 JJABRN Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1Br ZINC000223890325 569926427 /nfs/dbraw/zinc/92/64/27/569926427.db2.gz VJTHRTDAQIKSGI-KRWDZBQOSA-N 0 0 491.401 4.752 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223900145 569926694 /nfs/dbraw/zinc/92/66/94/569926694.db2.gz WHOBFOGFTURGQI-HNNXBMFYSA-N 0 0 484.383 4.660 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000223900388 569926699 /nfs/dbraw/zinc/92/66/99/569926699.db2.gz YMMDHYOQRLRAIS-MHZLTWQESA-N 0 0 460.599 4.886 40 0 JJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223901411 569926736 /nfs/dbraw/zinc/92/67/36/569926736.db2.gz KSGVQRXVEAXGSS-LJQANCHMSA-N 0 0 464.603 4.752 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223905252 569926820 /nfs/dbraw/zinc/92/68/20/569926820.db2.gz FQHFQNNCRUVRCO-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN Cc1cccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1C ZINC000223904989 569926824 /nfs/dbraw/zinc/92/68/24/569926824.db2.gz ZIYFFZHNFFYTPS-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223908023 569926870 /nfs/dbraw/zinc/92/68/70/569926870.db2.gz LOGSSUGOJNRVCF-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223911774 569927009 /nfs/dbraw/zinc/92/70/09/569927009.db2.gz VISJJBPDLXSLPT-UHFFFAOYSA-N 0 0 477.413 4.856 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223914391 569927078 /nfs/dbraw/zinc/92/70/78/569927078.db2.gz HKXUNBGDNQYYLZ-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223915799 569927128 /nfs/dbraw/zinc/92/71/28/569927128.db2.gz FOUIHMUZHAEIGP-OAHLLOKOSA-N 0 0 451.792 4.589 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223917327 569927186 /nfs/dbraw/zinc/92/71/86/569927186.db2.gz QIULTCHFLQECDP-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223917266 569927199 /nfs/dbraw/zinc/92/71/99/569927199.db2.gz OXROISMUDDZSDW-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223917913 569927236 /nfs/dbraw/zinc/92/72/36/569927236.db2.gz PJWUXSJHCHDPAS-UIOOFZCWSA-N 0 0 497.624 4.902 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1 ZINC000223917973 569927249 /nfs/dbraw/zinc/92/72/49/569927249.db2.gz RJSPWFKHXILYIH-CLJLJLNGSA-N 0 0 497.624 4.902 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223917835 569927257 /nfs/dbraw/zinc/92/72/57/569927257.db2.gz PJWUXSJHCHDPAS-FTJBHMTQSA-N 0 0 497.624 4.902 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc(OC)cc1 ZINC000223923459 569927463 /nfs/dbraw/zinc/92/74/63/569927463.db2.gz SRVKGKKQYRFFKQ-HNNXBMFYSA-N 0 0 469.434 4.789 40 0 JJABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)nc1 ZINC000223923364 569927469 /nfs/dbraw/zinc/92/74/69/569927469.db2.gz SNWIKTJSDVLVOP-SXOMAYOGSA-N 0 0 496.640 4.589 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000223931162 569927645 /nfs/dbraw/zinc/92/76/45/569927645.db2.gz BHRBMBGNOKBWAP-UHFFFAOYSA-N 0 0 466.603 4.902 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223940656 569927883 /nfs/dbraw/zinc/92/78/83/569927883.db2.gz UMLRVHXJERTJRZ-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)cc1 ZINC000223943722 569928037 /nfs/dbraw/zinc/92/80/37/569928037.db2.gz XBNCXWKRPQLKBC-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223955161 569928396 /nfs/dbraw/zinc/92/83/96/569928396.db2.gz KLDVYXAERBOVEI-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 ZINC000223962328 569928591 /nfs/dbraw/zinc/92/85/91/569928591.db2.gz XWOLVLHPKGAECN-SFHVURJKSA-N 0 0 461.400 4.552 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000223963518 569928630 /nfs/dbraw/zinc/92/86/30/569928630.db2.gz ONVOYOUBIWXHFK-AJTFRIOCSA-N 0 0 474.601 4.629 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223965661 569928758 /nfs/dbraw/zinc/92/87/58/569928758.db2.gz KHRRKKVUSHINOA-MRXNPFEDSA-N 0 0 481.818 4.733 40 0 JJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 ZINC000223967625 569928848 /nfs/dbraw/zinc/92/88/48/569928848.db2.gz HZQAWOXLURAUTE-LOSJGSFVSA-N 0 0 468.586 4.711 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223974721 569929082 /nfs/dbraw/zinc/92/90/82/569929082.db2.gz TWAOLEOLQBXFHO-VWLOTQADSA-N 0 0 454.611 4.886 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223974977 569929113 /nfs/dbraw/zinc/92/91/13/569929113.db2.gz RJFFSDNXOJIXKP-VWLOTQADSA-N 0 0 470.610 4.587 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223977799 569929189 /nfs/dbraw/zinc/92/91/89/569929189.db2.gz PBHXAWCIZIWAAR-INIZCTEOSA-N 0 0 479.404 4.857 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223978472 569929243 /nfs/dbraw/zinc/92/92/43/569929243.db2.gz CQBZCQSVFNNXNJ-VWLOTQADSA-N 0 0 454.611 4.921 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2ccccc2Cl)cc1 ZINC000223986955 569929563 /nfs/dbraw/zinc/92/95/63/569929563.db2.gz HEUGOTDKJURHIW-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000223986789 569929569 /nfs/dbraw/zinc/92/95/69/569929569.db2.gz NKFPKMNWSWWLCM-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223990777 569929693 /nfs/dbraw/zinc/92/96/93/569929693.db2.gz MQFLPGLOYISFKF-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000223996253 569929827 /nfs/dbraw/zinc/92/98/27/569929827.db2.gz RUPBEKWWJJYZHQ-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000224000458 569929946 /nfs/dbraw/zinc/92/99/46/569929946.db2.gz OKISJIGQSWTBFP-UHFFFAOYSA-N 0 0 472.994 4.591 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000224000402 569929980 /nfs/dbraw/zinc/92/99/80/569929980.db2.gz BHOWHOKIELUWQH-ZWKOTPCHSA-N 0 0 460.378 4.811 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224001788 569930011 /nfs/dbraw/zinc/93/00/11/569930011.db2.gz CVPOKULDZFQPIG-UHFFFAOYSA-N 0 0 458.967 4.566 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224003820 569930141 /nfs/dbraw/zinc/93/01/41/569930141.db2.gz WLICQUVTPNFTIQ-SKCUWOTOSA-N 0 0 488.628 4.801 40 0 JJABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224006123 569930195 /nfs/dbraw/zinc/93/01/95/569930195.db2.gz QVPSLCYNTRHEBZ-LOSJGSFVSA-N 0 0 470.554 4.787 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccnc1 ZINC000224004848 569930200 /nfs/dbraw/zinc/93/02/00/569930200.db2.gz AFUJSPWBRCGMSP-RPBOFIJWSA-N 0 0 469.570 4.790 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 ZINC000224011159 569930338 /nfs/dbraw/zinc/93/03/38/569930338.db2.gz JXHCRIYYMBQTCB-MHZLTWQESA-N 0 0 458.602 4.794 40 0 JJABRN 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CC(=O)N1CCN(Cc2cccc(OCc3ccccn3)c2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257245280 570121598 /nfs/dbraw/zinc/12/15/98/570121598.db2.gz IOUOXFDCGMPXEL-NDEPHWFRSA-N 0 0 459.590 4.853 40 0 JJABRN O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257245328 570121643 /nfs/dbraw/zinc/12/16/43/570121643.db2.gz IOZNNUPFPFDKOO-HXUWFJFHSA-N 0 0 457.509 4.673 40 0 JJABRN CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)c1cccc(Cn3ccnc3)c1)CC2 ZINC000257246830 570122136 /nfs/dbraw/zinc/12/21/36/570122136.db2.gz IWADHKZGRSMYNQ-HHHXNRCGSA-N 0 0 484.644 4.653 40 0 JJABRN CN(CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1)Cc1ccc(F)cc1 ZINC000257247267 570122358 /nfs/dbraw/zinc/12/23/58/570122358.db2.gz IYFBWACVGGJBLD-HXUWFJFHSA-N 0 0 455.961 4.896 40 0 JJABRN CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1cccc(Cl)c1)N2C(=O)Cc1cccnc1 ZINC000257247555 570122507 /nfs/dbraw/zinc/12/25/07/570122507.db2.gz IZMABBZLXYGIER-JCYRPKCISA-N 0 0 454.014 4.527 40 0 JJABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H](Cc3cccc4cnccc43)CC2)n1 ZINC000257248151 570122667 /nfs/dbraw/zinc/12/26/67/570122667.db2.gz JCJGJWQJCOAVOB-HXUWFJFHSA-N 0 0 467.573 4.706 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3cncc4ccccc43)C2)c1 ZINC000257249754 570123026 /nfs/dbraw/zinc/12/30/26/570123026.db2.gz JJQIQDLYFOHXBU-HXUWFJFHSA-N 0 0 468.557 4.713 40 0 JJABRN Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4cnccc4c3)C2)cc1NCc1ccccn1 ZINC000257256226 570125125 /nfs/dbraw/zinc/12/51/25/570125125.db2.gz KKNNTVYPFZSSRE-QHCPKHFHSA-N 0 0 466.585 4.882 40 0 JJABRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257258308 570125655 /nfs/dbraw/zinc/12/56/55/570125655.db2.gz KTHNAKMPXOJSLE-QPZFVJPBSA-N 0 0 479.017 4.719 40 0 JJABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)c1 ZINC000409094597 570126125 /nfs/dbraw/zinc/12/61/25/570126125.db2.gz DMJSUULGRNCMSJ-HYARGMPZSA-N 0 0 475.932 4.759 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000409094789 570126127 /nfs/dbraw/zinc/12/61/27/570126127.db2.gz GBWPZGWCFVFERW-PVGUKEHMSA-N 0 0 475.950 4.916 40 0 JJABRN CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CC[NH+](Cc1ccccc1C(=O)[O-])CC2 ZINC000257261287 570126753 /nfs/dbraw/zinc/12/67/53/570126753.db2.gz LGOKAZRURRCYRA-QHCPKHFHSA-N 0 0 452.570 4.606 40 0 JJABRN Cc1ccc(C(=O)N2CCOC[C@@H](Cc3cccc4ncccc34)C2)cc1NCc1ccncc1 ZINC000257261740 570126879 /nfs/dbraw/zinc/12/68/79/570126879.db2.gz LIPPEOISTMLETP-QHCPKHFHSA-N 0 0 466.585 4.882 40 0 JJABRN C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CCC(=O)N(CCO)Cc3ccncc3)ccc2O1 ZINC000257262208 570127028 /nfs/dbraw/zinc/12/70/28/570127028.db2.gz LKPAAWAYTQCMPU-HHHXNRCGSA-N 0 0 482.983 4.764 40 0 JJABRN COc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cc1OCc1ccccn1 ZINC000257263390 570127444 /nfs/dbraw/zinc/12/74/44/570127444.db2.gz LPRNMYPRWVLEJE-OAQYLSRUSA-N 0 0 472.541 4.747 40 0 JJABRN O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257263980 570127572 /nfs/dbraw/zinc/12/75/72/570127572.db2.gz LSJAGJAHESRPCR-XMMPIXPASA-N 0 0 462.981 4.607 40 0 JJABRN COc1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)cc1OC ZINC000257266648 570128587 /nfs/dbraw/zinc/12/85/87/570128587.db2.gz MDWZYIIKTGFBDI-NDEPHWFRSA-N 0 0 498.595 4.547 40 0 JJABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000409101877 570128738 /nfs/dbraw/zinc/12/87/38/570128738.db2.gz ZDQKMAQKFNWYCO-SGEFVQMOSA-N 0 0 494.338 4.765 40 0 JJABRN O=C(N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1)C1(c2ccccc2F)CCOCC1 ZINC000257267089 570128754 /nfs/dbraw/zinc/12/87/54/570128754.db2.gz MFXULNZVNKPWTE-FQEVSTJZSA-N 0 0 461.537 4.862 40 0 JJABRN CC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1(c3ccc(F)cc3)CCCC1)CC2 ZINC000257267891 570128886 /nfs/dbraw/zinc/12/88/86/570128886.db2.gz MJGXLYWIZNUAFB-VWLOTQADSA-N 0 0 464.581 4.841 40 0 JJABRN COc1c(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409103097 570129070 /nfs/dbraw/zinc/12/90/70/570129070.db2.gz ALKMJROGUSODID-VGOFMYFVSA-N 0 0 486.547 4.971 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3cnc4ccccc4c3)C2)c1 ZINC000257268541 570129131 /nfs/dbraw/zinc/12/91/31/570129131.db2.gz MMEPIUWABVFSCO-OAQYLSRUSA-N 0 0 468.557 4.713 40 0 JJABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 ZINC000257271688 570130140 /nfs/dbraw/zinc/13/01/40/570130140.db2.gz MZJOGHAEWHNCMD-QFIPXVFZSA-N 0 0 471.601 4.721 40 0 JJABRN CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257272217 570130307 /nfs/dbraw/zinc/13/03/07/570130307.db2.gz NBMLQBYKGIGTPC-UGKGYDQZSA-N 0 0 484.021 4.755 40 0 JJABRN CC(C)(C)c1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)cc1 ZINC000257272026 570130380 /nfs/dbraw/zinc/13/03/80/570130380.db2.gz NAUGVYHJQDEHPC-GDLZYMKVSA-N 0 0 478.633 4.534 40 0 JJABRN Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(CN5CCCC5=O)c4)C3)n2)c1 ZINC000257272868 570130481 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CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409213241 570170896 /nfs/dbraw/zinc/17/08/96/570170896.db2.gz TYVKKHGDAZMECJ-BKUYFWCQSA-N 0 0 473.522 4.793 40 0 JJABRN CCCCOC(=O)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)ccc1Cl ZINC000409215893 570172357 /nfs/dbraw/zinc/17/23/57/570172357.db2.gz GGCSSAWHSSRQTB-UHFFFAOYSA-N 0 0 472.998 4.747 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OC ZINC000409217502 570173246 /nfs/dbraw/zinc/17/32/46/570173246.db2.gz COXDMGCONHGYDD-GIJQJNRQSA-N 0 0 464.902 4.561 40 0 JJABRN CCOc1cc(Br)c(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OC ZINC000409219553 570173927 /nfs/dbraw/zinc/17/39/27/570173927.db2.gz NSHUWBGLBDXROO-GRSHGNNSSA-N 0 0 476.348 4.776 40 0 JJABRN COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O ZINC000409220489 570174219 /nfs/dbraw/zinc/17/42/19/570174219.db2.gz ANXWSKVWYBJMCI-CXUHLZMHSA-N 0 0 481.755 4.786 40 0 JJABRN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409220990 570174306 /nfs/dbraw/zinc/17/43/06/570174306.db2.gz IVYWUTVGNHDBIK-HAHDFKILSA-N 0 0 457.555 4.986 40 0 JJABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1 ZINC000409220880 570174330 /nfs/dbraw/zinc/17/43/30/570174330.db2.gz HGJRSAHPAGFAKI-LPYMAVHISA-N 0 0 493.922 4.898 40 0 JJABRN CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000409225779 570175880 /nfs/dbraw/zinc/17/58/80/570175880.db2.gz KZLZERDDDJZLCW-CXUHLZMHSA-N 0 0 465.731 4.603 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C ZINC000409225000 570175723 /nfs/dbraw/zinc/17/57/23/570175723.db2.gz NVRJXHQTMOJOID-OCKHKDLRSA-N 0 0 478.929 4.950 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409225818 570175809 /nfs/dbraw/zinc/17/58/09/570175809.db2.gz LQBSLNLBQMGLHP-UHFFFAOYSA-N 0 0 476.520 4.798 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Br)OCO3)C1=O)Nc1ccccc1Cl ZINC000409228115 570176630 /nfs/dbraw/zinc/17/66/30/570176630.db2.gz UGRDAQSEEAGWNG-SOFYXZRVSA-N 0 0 495.738 4.506 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O)Nc1ccccc1Cl ZINC000409228888 570176890 /nfs/dbraw/zinc/17/68/90/570176890.db2.gz GQUAMMYNGZWWBJ-XDHOZWIPSA-N 0 0 455.898 4.945 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000409233439 570178640 /nfs/dbraw/zinc/17/86/40/570178640.db2.gz KLIJGEKMSAAUGL-UHFFFAOYSA-N 0 0 456.995 4.741 40 0 JJABRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(N[C@H](C)CO)n2)cccc1C(F)(F)F ZINC000328958533 570179341 /nfs/dbraw/zinc/17/93/41/570179341.db2.gz APVAWPKVYCIORA-GFCCVEGCSA-N 0 0 486.416 4.750 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328958951 570179392 /nfs/dbraw/zinc/17/93/92/570179392.db2.gz ARCREKZVIIPFEO-GOSISDBHSA-N 0 0 496.331 5.492 40 0 JJABRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000409236124 570179773 /nfs/dbraw/zinc/17/97/73/570179773.db2.gz REASGZBLAVQFTJ-RQZCQDPDSA-N 0 0 482.341 4.790 40 0 JJABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(N[C@H](C)CO)n1 ZINC000328968999 570179853 /nfs/dbraw/zinc/17/98/53/570179853.db2.gz DBTBBLFZVONZGV-CQSZACIVSA-N 0 0 466.891 4.693 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)cc2OC)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970838 570179941 /nfs/dbraw/zinc/17/99/41/570179941.db2.gz DMRONSSNGXMEKO-CQSZACIVSA-N 0 0 462.472 4.857 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(Nc3cccc(Br)c3)nc(NC3CC3)n2)c1 ZINC000328984525 570180621 /nfs/dbraw/zinc/18/06/21/570180621.db2.gz HOOQRMYKXSRDGB-UHFFFAOYSA-N 0 0 465.273 4.966 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC3)n2)c1 ZINC000328985292 570180691 /nfs/dbraw/zinc/18/06/91/570180691.db2.gz HSFOINXXOUVVSQ-UHFFFAOYSA-N 0 0 471.483 5.197 40 0 JJABRN C[C@@H](CO)Nc1nc(Nc2c(Cl)cccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328993825 570180928 /nfs/dbraw/zinc/18/09/28/570180928.db2.gz JCTIVIVMAKMTSL-NSHDSACASA-N 0 0 473.282 4.729 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329008484 570181397 /nfs/dbraw/zinc/18/13/97/570181397.db2.gz LQZPKSOUGOMQCU-SFHVURJKSA-N 0 0 496.331 5.492 40 0 JJABRN CC(C)[C@H](CO)Nc1nc(Nc2c(F)cccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329012585 570181570 /nfs/dbraw/zinc/18/15/70/570181570.db2.gz MKRNYCKWHMRXOD-SFHVURJKSA-N 0 0 468.426 5.493 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000409240612 570181730 /nfs/dbraw/zinc/18/17/30/570181730.db2.gz LMCMCBUBXWLTLM-UHFFFAOYSA-N 0 0 464.631 4.904 40 0 JJABRN CSc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 ZINC000409242150 570182321 /nfs/dbraw/zinc/18/23/21/570182321.db2.gz MWWGBXUPMOPLMB-UHFFFAOYSA-N 0 0 454.617 4.501 40 0 JJABRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O ZINC000409242367 570182444 /nfs/dbraw/zinc/18/24/44/570182444.db2.gz RITCYLVNIBSDGZ-BUVRLJJBSA-N 0 0 494.551 4.538 40 0 JJABRN C[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329045939 570182922 /nfs/dbraw/zinc/18/29/22/570182922.db2.gz TXTJRRAZECCJDB-NSHDSACASA-N 0 0 473.282 4.729 40 0 JJABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329063978 570183386 /nfs/dbraw/zinc/18/33/86/570183386.db2.gz XGZWLKHCDKXMAU-HXUWFJFHSA-N 0 0 464.463 5.222 40 0 JJABRN OCCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329061294 570183409 /nfs/dbraw/zinc/18/34/09/570183409.db2.gz WQPQETXXAFHCKR-UHFFFAOYSA-N 0 0 473.282 4.731 40 0 JJABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Br)cc3)nc(NC3CC3)n2)c1 ZINC000329061714 570183416 /nfs/dbraw/zinc/18/34/16/570183416.db2.gz WSTISLJANWJGFV-UHFFFAOYSA-N 0 0 479.300 4.835 40 0 JJABRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000409244500 570183420 /nfs/dbraw/zinc/18/34/20/570183420.db2.gz DOZYFCDVEBULEN-LDADJPATSA-N 0 0 460.939 4.812 40 0 JJABRN CC[C@@H](C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2cccnc2)n1 ZINC000329070572 570183917 /nfs/dbraw/zinc/18/39/17/570183917.db2.gz ZHSVHFOOBGAGMY-GFCCVEGCSA-N 0 0 479.753 4.594 40 0 JJABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c1 ZINC000409245590 570183929 /nfs/dbraw/zinc/18/39/29/570183929.db2.gz WFBIIVCAZAKLSN-BUVRLJJBSA-N 0 0 482.515 4.669 40 0 JJABRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC ZINC000409245742 570184067 /nfs/dbraw/zinc/18/40/67/570184067.db2.gz YLJOCOXSBJRKRL-PILJQMSFSA-N 0 0 458.374 4.708 40 0 JJABRN CCOc1c(Br)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000409246491 570184473 /nfs/dbraw/zinc/18/44/73/570184473.db2.gz BXYOKPRITRKSPB-OQLLNIDSSA-N 0 0 451.704 4.607 40 0 JJABRN Cc1ccc(NC(=O)Cn2cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c3ccccc32)cc1 ZINC000409246940 570184568 /nfs/dbraw/zinc/18/45/68/570184568.db2.gz LKHOKFIQWGUZPA-MFKUBSTISA-N 0 0 478.552 4.990 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000409261706 570187612 /nfs/dbraw/zinc/18/76/12/570187612.db2.gz ALYIFZZQXFANPW-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl ZINC000408530297 570187661 /nfs/dbraw/zinc/18/76/61/570187661.db2.gz KBVRIAVHHTXWRT-UHFFFAOYSA-N 0 0 465.015 4.657 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)ccc1Cl ZINC000409263100 570187979 /nfs/dbraw/zinc/18/79/79/570187979.db2.gz GXVRTHORDNASJK-QFIPXVFZSA-N 0 0 470.934 4.746 40 0 JJABRN COC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409265287 570188336 /nfs/dbraw/zinc/18/83/36/570188336.db2.gz RTOCLECAGPZJPT-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000409268473 570188855 /nfs/dbraw/zinc/18/88/55/570188855.db2.gz UEAFDMLNLPGOAA-UHFFFAOYSA-N 0 0 482.602 4.880 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000408533985 570189393 /nfs/dbraw/zinc/18/93/93/570189393.db2.gz RUQBBVWZNIEPKU-UHFFFAOYSA-N 0 0 487.021 4.838 40 0 JJABRN COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000409272845 570189407 /nfs/dbraw/zinc/18/94/07/570189407.db2.gz SVEXZOIBWPYJAG-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408536510 570190412 /nfs/dbraw/zinc/19/04/12/570190412.db2.gz ZYYFZYVFRAWCLN-UHFFFAOYSA-N 0 0 477.369 4.762 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408536399 570190475 /nfs/dbraw/zinc/19/04/75/570190475.db2.gz ZHDWWDIRCMWTLO-UHFFFAOYSA-N 0 0 465.786 4.743 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000408546558 570193325 /nfs/dbraw/zinc/19/33/25/570193325.db2.gz FGYPZNWHETXQNC-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O ZINC000408548391 570194227 /nfs/dbraw/zinc/19/42/27/570194227.db2.gz HOYFPZLDTQEPAQ-RGVLZGJSSA-N 0 0 485.323 4.791 40 0 JJABRN C[C@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000408549374 570194628 /nfs/dbraw/zinc/19/46/28/570194628.db2.gz YMMXCZKEJXVDAO-CYBMUJFWSA-N 0 0 495.881 4.851 40 0 JJABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3I)C2=O)cc1C ZINC000408553449 570195780 /nfs/dbraw/zinc/19/57/80/570195780.db2.gz ZEINHGYRNOSCNY-YVLHZVERSA-N 0 0 492.338 4.583 40 0 JJABRN Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408553251 570195797 /nfs/dbraw/zinc/19/57/97/570195797.db2.gz PLYLITDDLOTUCZ-UHFFFAOYSA-N 0 0 489.391 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1C ZINC000408554553 570196317 /nfs/dbraw/zinc/19/63/17/570196317.db2.gz BYNZOYKVPDAYCB-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000408555701 570196944 /nfs/dbraw/zinc/19/69/44/570196944.db2.gz HHUURWBSRYYORH-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN CCCOc1c(I)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC ZINC000408555595 570196992 /nfs/dbraw/zinc/19/69/92/570196992.db2.gz HJAPYMJKKFNMLF-UHFFFAOYSA-N 0 0 485.318 4.748 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000408556072 570197213 /nfs/dbraw/zinc/19/72/13/570197213.db2.gz ZFWDZBWXEZUPLC-MRXNPFEDSA-N 0 0 455.407 4.958 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409303141 570197265 /nfs/dbraw/zinc/19/72/65/570197265.db2.gz LRGSVEIAWFBYPR-UHFFFAOYSA-N 0 0 480.920 4.851 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408556577 570197532 /nfs/dbraw/zinc/19/75/32/570197532.db2.gz DNELTPQMJGTLMF-FQEVSTJZSA-N 0 0 482.911 4.887 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1C ZINC000408556698 570197666 /nfs/dbraw/zinc/19/76/66/570197666.db2.gz JDKVANFGUNUUPG-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 ZINC000408558124 570198761 /nfs/dbraw/zinc/19/87/61/570198761.db2.gz INNHOOYCBAUVOY-IBGZPJMESA-N 0 0 496.585 4.536 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558245 570198793 /nfs/dbraw/zinc/19/87/93/570198793.db2.gz PZDKGQVAKSSCFL-UHFFFAOYSA-N 0 0 488.949 4.578 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408558162 570198861 /nfs/dbraw/zinc/19/88/61/570198861.db2.gz IQNZFJAIAPPUMQ-LBPRGKRZSA-N 0 0 456.873 4.818 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408558244 570198876 /nfs/dbraw/zinc/19/88/76/570198876.db2.gz QQBFNCLRVBHCRR-UHFFFAOYSA-N 0 0 454.548 4.575 40 0 JJABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000409309689 570198940 /nfs/dbraw/zinc/19/89/40/570198940.db2.gz KYOOSYOXMMHXMT-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000408559093 570199465 /nfs/dbraw/zinc/19/94/65/570199465.db2.gz VIVHTWYIZAMFEL-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000408559122 570199585 /nfs/dbraw/zinc/19/95/85/570199585.db2.gz VOVJBKLCBSKAIO-AREMUKBSSA-N 0 0 476.642 4.722 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(Cl)cccc3Cl)C2)cc1C ZINC000408559118 570199594 /nfs/dbraw/zinc/19/95/94/570199594.db2.gz VOEYCQDBMNGRHK-HNNXBMFYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1Cl ZINC000408559392 570199686 /nfs/dbraw/zinc/19/96/86/570199686.db2.gz WUHNHSRSFLVMGN-GOSISDBHSA-N 0 0 458.967 4.541 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000409313814 570199716 /nfs/dbraw/zinc/19/97/16/570199716.db2.gz DFONBCFWENMQPM-UHFFFAOYSA-N 0 0 493.629 4.784 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(C)cc1 ZINC000408559832 570199990 /nfs/dbraw/zinc/19/99/90/570199990.db2.gz NANJYICNVNZLEB-UHFFFAOYSA-N 0 0 478.614 4.899 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408559734 570200037 /nfs/dbraw/zinc/20/00/37/570200037.db2.gz YDKMDOXPHBCOHK-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000408559703 570200048 /nfs/dbraw/zinc/20/00/48/570200048.db2.gz BIQBREUYHRBMPQ-UHFFFAOYSA-N 0 0 478.614 4.889 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409315789 570200204 /nfs/dbraw/zinc/20/02/04/570200204.db2.gz WTZWMWGPCWHGBL-OAHLLOKOSA-N 0 0 487.847 4.598 40 0 JJABRN CCn1c2c(s/c1=N\C(=O)c1ccccc1I)CCc1ccccc1-2 ZINC000408560066 570200247 /nfs/dbraw/zinc/20/02/47/570200247.db2.gz BSAVLDONGBBFIH-XDOYNYLZSA-N 0 0 460.340 4.681 40 0 JJABRN CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl ZINC000408560549 570200492 /nfs/dbraw/zinc/20/04/92/570200492.db2.gz DFAKFSXCWRDPCX-UHFFFAOYSA-N 0 0 485.005 4.519 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C ZINC000408560439 570200506 /nfs/dbraw/zinc/20/05/06/570200506.db2.gz CRLROLXNJPEIEY-UHFFFAOYSA-N 0 0 470.978 4.726 40 0 JJABRN CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408560861 570200691 /nfs/dbraw/zinc/20/06/91/570200691.db2.gz QLUFHZMJCGBPMP-UHFFFAOYSA-N 0 0 454.548 4.573 40 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570201382 /nfs/dbraw/zinc/20/13/82/570201382.db2.gz WGGFWGBKULIWSC-UHFFFAOYSA-N 0 0 497.317 4.546 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000408562092 570201519 /nfs/dbraw/zinc/20/15/19/570201519.db2.gz XTAQAQADVYXEIZ-UHFFFAOYSA-N 0 0 490.931 4.797 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562357 570201778 /nfs/dbraw/zinc/20/17/78/570201778.db2.gz ZFWYSJMZBZCACS-UHFFFAOYSA-N 0 0 488.949 4.563 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl ZINC000408562702 570201844 /nfs/dbraw/zinc/20/18/44/570201844.db2.gz RMSLFTYPDRXMOT-UHFFFAOYSA-N 0 0 453.004 4.724 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408564572 570202717 /nfs/dbraw/zinc/20/27/17/570202717.db2.gz ZQJIJPIOBASUAX-UHFFFAOYSA-N 0 0 492.641 4.777 40 0 JJABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]32)cc1 ZINC000409330860 570204058 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HCWYKHRKNHTTTN-UHFFFAOYSA-N 0 0 489.663 4.994 40 0 JJABRN CCOc1cc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)ccc1OCc1ccc(Cl)cc1Cl ZINC000013914863 520776400 /nfs/dbraw/zinc/77/64/00/520776400.db2.gz ZGIGATPHLIJGFI-FQEVSTJZSA-N 0 0 481.401 4.937 40 0 JJABRN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)ccc1OCC(=O)NC1CCCCC1 ZINC000006600545 520779121 /nfs/dbraw/zinc/77/91/21/520779121.db2.gz MDGMNTJFFJWKDD-DEOSSOPVSA-N 0 0 483.634 4.707 40 0 JJABRN CCC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500729 520811541 /nfs/dbraw/zinc/81/15/41/520811541.db2.gz LVHBCDMKCOVMOK-QHCPKHFHSA-N 0 0 459.598 4.517 40 0 JJABRN CCOc1ccc(-c2nc3s/c(=C/c4cn(-c5ccccc5)nc4-c4cccs4)c(=O)n3n2)cc1 ZINC000033448846 520822340 /nfs/dbraw/zinc/82/23/40/520822340.db2.gz AJPILIAQFUADQG-PXLXIMEGSA-N 0 0 497.605 4.679 40 0 JJABRN CCOc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000013670728 521020833 /nfs/dbraw/zinc/02/08/33/521020833.db2.gz HZVKIBAIDYVTRW-UHFFFAOYSA-N 0 0 470.616 4.666 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428820 521023028 /nfs/dbraw/zinc/02/30/28/521023028.db2.gz DMHZAMKJGIKQGR-XMMPIXPASA-N 0 0 452.576 4.548 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431237 521024132 /nfs/dbraw/zinc/02/41/32/521024132.db2.gz UUEWXRZGKGHHMN-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccc(Cl)cc3)c2)CC1 ZINC000020454501 521029674 /nfs/dbraw/zinc/02/96/74/521029674.db2.gz ZGWPJJWYNFBRBV-UHFFFAOYSA-N 0 0 455.407 4.686 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 ZINC000019820144 521092379 /nfs/dbraw/zinc/09/23/79/521092379.db2.gz UMYVUBSLFBPDFP-LOSJGSFVSA-N 0 0 469.541 4.751 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000019820421 521093428 /nfs/dbraw/zinc/09/34/28/521093428.db2.gz MIIFSIGFPGMIFK-DQEYMECFSA-N 0 0 453.542 4.969 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020464906 521133918 /nfs/dbraw/zinc/13/39/18/521133918.db2.gz BGYGUYHNMPQDFM-INIZCTEOSA-N 0 0 474.966 4.946 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1Cl ZINC000022536536 521192163 /nfs/dbraw/zinc/19/21/63/521192163.db2.gz ASTNIAVTIJNJPL-LJQANCHMSA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1Cl ZINC000022536547 521194967 /nfs/dbraw/zinc/19/49/67/521194967.db2.gz CVJKBWDMUJGICH-VQTJNVASSA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020453809 521217990 /nfs/dbraw/zinc/21/79/90/521217990.db2.gz UOEMMLKELLLHQN-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020494818 521218186 /nfs/dbraw/zinc/21/81/86/521218186.db2.gz SCMDHAZQHUZUCA-OAQYLSRUSA-N 0 0 496.629 4.865 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020493838 521221205 /nfs/dbraw/zinc/22/12/05/521221205.db2.gz IJTRWXSBBBRVNA-LJQANCHMSA-N 0 0 452.576 4.710 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022427986 521251760 /nfs/dbraw/zinc/25/17/60/521251760.db2.gz UBGTVAOIYPVMMM-NRFANRHFSA-N 0 0 466.603 4.775 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431612 521251910 /nfs/dbraw/zinc/25/19/10/521251910.db2.gz QKHIUYPEMYJLEY-IBGZPJMESA-N 0 0 470.566 4.606 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000020455909 521252175 /nfs/dbraw/zinc/25/21/75/521252175.db2.gz XXBBCKCNILRBCC-LBPRGKRZSA-N 0 0 479.813 4.689 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020493840 521256210 /nfs/dbraw/zinc/25/62/10/521256210.db2.gz IJTRWXSBBBRVNA-IBGZPJMESA-N 0 0 452.576 4.710 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 ZINC000019820431 521278254 /nfs/dbraw/zinc/27/82/54/521278254.db2.gz AIKXOFRHHOCQQJ-JWQCQUIFSA-N 0 0 469.541 4.669 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1sccc1C ZINC000019820832 521279075 /nfs/dbraw/zinc/27/90/75/521279075.db2.gz SKFLJTURANMUAG-YADHBBJMSA-N 0 0 459.571 4.764 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004092863 521336253 /nfs/dbraw/zinc/33/62/53/521336253.db2.gz RFVKSOSOQSPNCH-RUZDIDTESA-N 0 0 494.567 4.607 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC000012488443 521336347 /nfs/dbraw/zinc/33/63/47/521336347.db2.gz ISBJYCBEKQLHAH-XMMPIXPASA-N 0 0 493.629 4.566 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000020040310 521349707 /nfs/dbraw/zinc/34/97/07/521349707.db2.gz CQNSCSZYPMXYAE-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431930 521349932 /nfs/dbraw/zinc/34/99/32/521349932.db2.gz VBHNWMRSZLUAGP-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 ZINC000020452961 521357014 /nfs/dbraw/zinc/35/70/14/521357014.db2.gz DGVKEVROKVVJJH-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498617 521372463 /nfs/dbraw/zinc/37/24/63/521372463.db2.gz NHPAPTRYGBUEGJ-HSZRJFAPSA-N 0 0 478.597 4.661 40 0 JJABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnc(-c2ccncc2)o1 ZINC000016805962 521373125 /nfs/dbraw/zinc/37/31/25/521373125.db2.gz XIUYPZSTBKXRER-UHFFFAOYSA-N 0 0 466.544 4.768 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013668708 521385503 /nfs/dbraw/zinc/38/55/03/521385503.db2.gz HJNHBHBNFPSRFF-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000020492779 521490629 /nfs/dbraw/zinc/49/06/29/521490629.db2.gz RKEQPVAQVZXKHW-UHFFFAOYSA-N 0 0 466.603 4.720 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000022429965 521490831 /nfs/dbraw/zinc/49/08/31/521490831.db2.gz RKMBJQVPQICHQR-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000022429438 521490945 /nfs/dbraw/zinc/49/09/45/521490945.db2.gz VQVDPWFSHXLQQF-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000020494492 521491425 /nfs/dbraw/zinc/49/14/25/521491425.db2.gz YIFJPDRRFNVRHP-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044839213 521491561 /nfs/dbraw/zinc/49/15/61/521491561.db2.gz ZSPACJYKGZQDMS-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937954 521492103 /nfs/dbraw/zinc/49/21/03/521492103.db2.gz BAMCINMURWDPJK-GOSISDBHSA-N 0 0 472.994 4.811 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022427838 521495080 /nfs/dbraw/zinc/49/50/80/521495080.db2.gz XECGCNGAMHYUBU-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000022519200 521510489 /nfs/dbraw/zinc/51/04/89/521510489.db2.gz DBDWZLAKJFAJBK-UHFFFAOYSA-N 0 0 472.994 4.593 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000022428748 521512644 /nfs/dbraw/zinc/51/26/44/521512644.db2.gz KJYVDIZKODUQDL-QHCPKHFHSA-N 0 0 466.603 4.857 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020494099 521512702 /nfs/dbraw/zinc/51/27/02/521512702.db2.gz BTSFZXWKWDEYIN-QGZVFWFLSA-N 0 0 490.984 4.951 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(Cl)c1 ZINC000020488754 521512820 /nfs/dbraw/zinc/51/28/20/521512820.db2.gz XSLOAWQFKMAUNT-UHFFFAOYSA-N 0 0 499.416 4.987 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(Cl)c1 ZINC000022513342 521513987 /nfs/dbraw/zinc/51/39/87/521513987.db2.gz GGLIUBKVUSUQJT-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1Cl ZINC000022530750 521514704 /nfs/dbraw/zinc/51/47/04/521514704.db2.gz VHEBXHQRDUWBQM-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020495351 521544328 /nfs/dbraw/zinc/54/43/28/521544328.db2.gz XWTPIYZWCKWOIH-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1C ZINC000013646112 521544445 /nfs/dbraw/zinc/54/44/45/521544445.db2.gz MINSPVKXCJODOX-UHFFFAOYSA-N 0 0 466.559 4.558 40 0 JJABRN CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)c1cnccn1 ZINC000012484125 521580657 /nfs/dbraw/zinc/58/06/57/521580657.db2.gz RFHVRJVMSNIJDF-HHHXNRCGSA-N 0 0 486.616 4.750 40 0 JJABRN CCCn1c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2c2ccc(Cl)cc2c1=O ZINC000033255049 521641569 /nfs/dbraw/zinc/64/15/69/521641569.db2.gz JZDPALWFGRMBKV-UHFFFAOYSA-N 0 0 469.998 4.962 40 0 JJABRN CCN1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2Cl)CC1 ZINC000016681517 521698557 /nfs/dbraw/zinc/69/85/57/521698557.db2.gz GJUSEWIXQIBLRD-RUDMXATFSA-N 0 0 478.818 4.905 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 ZINC000016681582 521698882 /nfs/dbraw/zinc/69/88/82/521698882.db2.gz BIEDOTDONRYPBA-UHFFFAOYSA-N 0 0 453.011 4.762 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC000016681564 521699391 /nfs/dbraw/zinc/69/93/91/521699391.db2.gz AJSUEARSECLJIB-UHFFFAOYSA-N 0 0 471.841 4.916 40 0 JJABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044843788 521775738 /nfs/dbraw/zinc/77/57/38/521775738.db2.gz IKMMSLMEGNFRGJ-UHFFFAOYSA-N 0 0 497.480 4.742 40 0 JJABRN CCc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022428222 521847661 /nfs/dbraw/zinc/84/76/61/521847661.db2.gz PCBAYDNSVIPNKR-UHFFFAOYSA-N 0 0 466.603 4.548 40 0 JJABRN COCOc1ccc(-c2oc3cc(OCOC)cc(OCC=C(C)C)c3c(=O)c2OCOC)cc1 ZINC000065734887 522155583 /nfs/dbraw/zinc/15/55/83/522155583.db2.gz RJPUHWKGCVBQHO-UHFFFAOYSA-N 0 0 486.517 4.753 40 0 in-vitro JJABRN COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448624 522283030 /nfs/dbraw/zinc/28/30/30/522283030.db2.gz GOTPAFCAIZHLRC-HNNXBMFYSA-N 0 0 484.961 4.519 40 0 JJABRN COc1cc(C2c3c(=O)c4ccccc4oc3Oc3oc4ccccc4c(=O)c32)cc(OC)c1O ZINC000005618527 522307949 /nfs/dbraw/zinc/30/79/49/522307949.db2.gz BYLGHYWAFHYSSL-UHFFFAOYSA-N 0 0 470.433 4.908 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000020459331 522364815 /nfs/dbraw/zinc/36/48/15/522364815.db2.gz GCNNUFLUHOUIAI-NRFANRHFSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@H](NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000020111420 522384283 /nfs/dbraw/zinc/38/42/83/522384283.db2.gz MOBRSWIFQPIXFS-VWLOTQADSA-N 0 0 466.603 4.775 40 0 JJABRN CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000044850023 522535083 /nfs/dbraw/zinc/53/50/83/522535083.db2.gz RUUWPHIJMSPUCC-NRFANRHFSA-N 0 0 465.015 4.794 40 0 JJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(OC)cc1 ZINC000038753924 522537312 /nfs/dbraw/zinc/53/73/12/522537312.db2.gz POPUJCIQRCXJSX-QHCPKHFHSA-N 0 0 452.576 4.994 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000030753408 522669781 /nfs/dbraw/zinc/66/97/81/522669781.db2.gz WWOALYMFEJLHKN-JOCHJYFZSA-N 0 0 499.460 4.811 40 0 JJABRN COc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@H](C)CC5)cc(OC)c1 ZINC000013499731 522670924 /nfs/dbraw/zinc/67/09/24/522670924.db2.gz SMZMNWSPRLTWOY-GFCCVEGCSA-N 0 0 483.619 4.520 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020107550 522682654 /nfs/dbraw/zinc/68/26/54/522682654.db2.gz GTFNKJGICGDFJS-HSZRJFAPSA-N 0 0 472.994 4.811 40 0 JJABRN COc1cc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)c(OC)cc1Cl ZINC000027936352 522706406 /nfs/dbraw/zinc/70/64/06/522706406.db2.gz VBAFIWFHNQCDAL-MRVPVSSYSA-N 0 0 470.673 4.843 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020456452 522782646 /nfs/dbraw/zinc/78/26/46/522782646.db2.gz RVNQJQSMAOCDAL-XMMPIXPASA-N 0 0 452.576 4.543 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(OC)cc1 ZINC000044850027 522784825 /nfs/dbraw/zinc/78/48/25/522784825.db2.gz RUUWPHIJMSPUCC-OAQYLSRUSA-N 0 0 465.015 4.794 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000022531266 522785065 /nfs/dbraw/zinc/78/50/65/522785065.db2.gz JDKDJPPFXRFQQF-RUZDIDTESA-N 0 0 466.603 4.851 40 0 JJABRN COc1cc(OC)cc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCCC[C@H]2C)c1 ZINC000012473991 522840456 /nfs/dbraw/zinc/84/04/56/522840456.db2.gz OFLXENRGFZWIIC-QGZVFWFLSA-N 0 0 499.612 4.529 40 0 JJABRN COc1cc(OC)cc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCCC[C@@H]2C)c1 ZINC000012473985 522841237 /nfs/dbraw/zinc/84/12/37/522841237.db2.gz OFLXENRGFZWIIC-KRWDZBQOSA-N 0 0 499.612 4.529 40 0 JJABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020485607 522874632 /nfs/dbraw/zinc/87/46/32/522874632.db2.gz JJSVIZIHOANKMR-QHCPKHFHSA-N 0 0 480.536 4.612 40 0 JJABRN COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C ZINC000016778788 522971395 /nfs/dbraw/zinc/97/13/95/522971395.db2.gz PUYACDFXDVGBEG-QHCPKHFHSA-N 0 0 485.964 4.726 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000020493799 523224880 /nfs/dbraw/zinc/22/48/80/523224880.db2.gz OFQKRQWFPPBJFQ-UHFFFAOYSA-N 0 0 470.205 4.725 40 0 JJABRN COCc1nn2c(ncc3c2ccn(NC(=O)c2ccc(Cl)cc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397857 523248000 /nfs/dbraw/zinc/24/80/00/523248000.db2.gz QVRZWGYGADTHTM-UHFFFAOYSA-N 0 0 494.338 4.548 40 0 JJABRN COCc1nn2c(nnc3c(=O)n(CCc4c[nH]c5ccccc45)ccc32)c1-c1ccc(Cl)cc1 ZINC000040396170 523248082 /nfs/dbraw/zinc/24/80/82/523248082.db2.gz 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JJABRN COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000014391646 523734631 /nfs/dbraw/zinc/73/46/31/523734631.db2.gz RSNXDDNNHBQQCH-MRXNPFEDSA-N 0 0 495.439 4.513 40 0 JJABRN COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000023136161 523755685 /nfs/dbraw/zinc/75/56/85/523755685.db2.gz RELBBFRKXGOGLJ-UHFFFAOYSA-N 0 0 485.631 4.944 40 0 JJABRN CC[C@H](C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020493414 523790249 /nfs/dbraw/zinc/79/02/49/523790249.db2.gz XSVTYXLJEZJVJI-FCHUYYIVSA-N 0 0 467.031 4.797 40 0 JJABRN CC[C@H](C(=O)N[C@H](c1ccccc1)c1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044846404 523795291 /nfs/dbraw/zinc/79/52/91/523795291.db2.gz LNWUYKUGFYWUMU-JWQCQUIFSA-N 0 0 450.604 4.754 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431738 523817893 /nfs/dbraw/zinc/81/78/93/523817893.db2.gz OPODMXJYJDWSRJ-IBGZPJMESA-N 0 0 470.566 4.524 40 0 JJABRN 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/nfs/dbraw/zinc/28/50/05/524285005.db2.gz JIWARTHWYRDYOW-UHFFFAOYSA-N 0 0 453.955 4.803 40 0 JJABRN Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000032125204 524309694 /nfs/dbraw/zinc/30/96/94/524309694.db2.gz HCMKCBLLPSNBFD-UHFFFAOYSA-N 0 0 477.992 4.937 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C ZINC000022537674 524329312 /nfs/dbraw/zinc/32/93/12/524329312.db2.gz XQEZCDFFNNLEEE-JOCHJYFZSA-N 0 0 464.631 4.900 40 0 JJABRN Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C ZINC000022537003 524330062 /nfs/dbraw/zinc/33/00/62/524330062.db2.gz ZZKLLNOXPPYPNX-LJQANCHMSA-N 0 0 470.566 4.808 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000022605935 524330758 /nfs/dbraw/zinc/33/07/58/524330758.db2.gz AEDRMGYMDHSIGN-QFIPXVFZSA-N 0 0 480.630 4.834 40 0 JJABRN COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022432011 524357727 /nfs/dbraw/zinc/35/77/27/524357727.db2.gz 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ZINC000013505983 524509701 /nfs/dbraw/zinc/50/97/01/524509701.db2.gz WAAYSKDGFIZILJ-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000013506763 524509946 /nfs/dbraw/zinc/50/99/46/524509946.db2.gz JYIMSHKDAMNNQZ-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1 ZINC000016788759 524513747 /nfs/dbraw/zinc/51/37/47/524513747.db2.gz IQEBZCBANNOTBI-UHFFFAOYSA-N 0 0 460.559 4.991 40 0 JJABRN COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000006177004 524545806 /nfs/dbraw/zinc/54/58/06/524545806.db2.gz YLOFXNLRBPYCIS-UHFFFAOYSA-N 0 0 488.535 4.612 40 0 JJABRN COc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000012467940 524626811 /nfs/dbraw/zinc/62/68/11/524626811.db2.gz KJJZKWOUHLHRIM-AUUYWEPGSA-N 0 0 460.412 4.533 40 0 JJABRN COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448579 524627160 /nfs/dbraw/zinc/62/71/60/524627160.db2.gz JFQLGOCJSADBEY-HNNXBMFYSA-N 0 0 456.951 4.741 40 0 JJABRN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000020449617 524638969 /nfs/dbraw/zinc/63/89/69/524638969.db2.gz CMKUOPLUIGSZBH-CQSZACIVSA-N 0 0 474.941 4.880 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020491949 524692904 /nfs/dbraw/zinc/69/29/04/524692904.db2.gz FGJWFTQAQVUKPE-LJQANCHMSA-N 0 0 468.575 4.827 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000022521843 524693729 /nfs/dbraw/zinc/69/37/29/524693729.db2.gz JHLQTCCEVCDKFV-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000020024286 524716767 /nfs/dbraw/zinc/71/67/67/524716767.db2.gz CYRPFEFJMDHFJJ-LJQANCHMSA-N 0 0 452.576 4.614 40 0 JJABRN C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)Nc5nccs5)nnc4c23)C1 ZINC000013502600 524725795 /nfs/dbraw/zinc/72/57/95/524725795.db2.gz KBXUHPOGANXSRL-SNVBAGLBSA-N 0 0 456.622 4.529 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022322987 524841315 /nfs/dbraw/zinc/84/13/15/524841315.db2.gz ITRZJEBJTVUVTA-NRFANRHFSA-N 0 0 496.629 4.702 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020459887 524866055 /nfs/dbraw/zinc/86/60/55/524866055.db2.gz MHUSAMJMINXXLK-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000020448611 524867701 /nfs/dbraw/zinc/86/77/01/524867701.db2.gz XUNLHPWRJZYLJE-OAHLLOKOSA-N 0 0 486.977 4.749 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1F ZINC000013506195 524875887 /nfs/dbraw/zinc/87/58/87/524875887.db2.gz QFOZAWPIKVDJML-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1F ZINC000013506148 524876437 /nfs/dbraw/zinc/87/64/37/524876437.db2.gz GWSOLCJIMLMKOY-QHCPKHFHSA-N 0 0 499.633 4.820 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ZINC000008903794 554798012 /nfs/dbraw/zinc/79/80/12/554798012.db2.gz YRNLZZCYPBLIKF-UHFFFAOYSA-N 0 0 457.577 4.776 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3ccc(F)cc3)o2)C(=C(O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000008915324 554808827 /nfs/dbraw/zinc/80/88/27/554808827.db2.gz PQOJUFIDPPNRJJ-LQWHRVPQSA-N 0 0 482.817 4.843 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccco3)N4)c2C(N)=O)C1 ZINC000008926731 554824065 /nfs/dbraw/zinc/82/40/65/554824065.db2.gz USZOLJGCHZTBMB-KANYHAFZSA-N 0 0 493.511 4.674 40 0 JJABRN CC[C@@H](c1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)n1Cc1ccccc1)N(C)C ZINC000008965490 554840126 /nfs/dbraw/zinc/84/01/26/554840126.db2.gz NVCJVSXFEYRCGQ-JQVVWYNYSA-N 0 0 463.651 4.798 40 0 JJABRN O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cccc(Cl)c1Cl ZINC000009055752 554873997 /nfs/dbraw/zinc/87/39/97/554873997.db2.gz OSKOTFZKYWTNLH-UHFFFAOYSA-N 0 0 469.280 4.590 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc(OC)c1OC ZINC000009062193 554879419 /nfs/dbraw/zinc/87/94/19/554879419.db2.gz INCCZXWMPABJOK-UHFFFAOYSA-N 0 0 490.541 4.736 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)s2)cc1 ZINC000009062301 554879805 /nfs/dbraw/zinc/87/98/05/554879805.db2.gz IDXZSDZJBOWGNI-UHFFFAOYSA-N 0 0 480.571 4.575 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)nn12 ZINC000009064557 554882674 /nfs/dbraw/zinc/88/26/74/554882674.db2.gz QVFHRSLCZSGBHE-UHFFFAOYSA-N 0 0 450.593 4.586 40 0 JJABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(NC(C)=O)cc1 ZINC000009064812 554883765 /nfs/dbraw/zinc/88/37/65/554883765.db2.gz QLPVGYWXHSHEAV-UHFFFAOYSA-N 0 0 472.364 4.696 40 0 JJABRN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000009064895 554884388 /nfs/dbraw/zinc/88/43/88/554884388.db2.gz HQWCSAHIEISADF-UHFFFAOYSA-N 0 0 463.515 4.653 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O)Nc1ccccc1 ZINC000009233066 555005579 /nfs/dbraw/zinc/00/55/79/555005579.db2.gz YEKNOGPUJYWTFZ-YVLHZVERSA-N 0 0 484.896 4.736 40 0 JJABRN CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3OC)C2)cc1 ZINC000009382183 555146542 /nfs/dbraw/zinc/14/65/42/555146542.db2.gz PIMIJBYVESIJEL-FQEVSTJZSA-N 0 0 469.588 4.510 40 0 JJABRN CN1C(=O)[C@@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C[C@@]1(C)Oc1ccc(Br)cc12 ZINC000009407652 555169202 /nfs/dbraw/zinc/16/92/02/555169202.db2.gz GJGUHSKFYOUAOR-QMHWCDLVSA-N 0 0 492.435 4.643 40 0 JJABRN Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccc(Cl)cc1 ZINC000009532546 555327438 /nfs/dbraw/zinc/32/74/38/555327438.db2.gz HSVOYGJRJJXMPR-UHFFFAOYSA-N 0 0 455.740 4.768 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccc(F)cc2)o1 ZINC000013150888 555357106 /nfs/dbraw/zinc/35/71/06/555357106.db2.gz WQAFRPPQKHTVHL-RUZDIDTESA-N 0 0 496.539 4.576 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013151209 555358780 /nfs/dbraw/zinc/35/87/80/555358780.db2.gz ZEJVQETXJWHEID-QHCPKHFHSA-N 0 0 459.623 4.618 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)NCCSCc1c(Cl)cccc1Cl ZINC000013237049 555370281 /nfs/dbraw/zinc/37/02/81/555370281.db2.gz LTNRJKPZZQMRLF-UHFFFAOYSA-N 0 0 485.252 4.976 40 0 JJABRN Cc1cccc(CCN(Cc2nnnn2CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000013494291 555403915 /nfs/dbraw/zinc/40/39/15/555403915.db2.gz LBIOIATXFJUHMP-UHFFFAOYSA-N 0 0 492.627 4.619 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494441 555404578 /nfs/dbraw/zinc/40/45/78/555404578.db2.gz DCBMRPSMROBJNM-JOCHJYFZSA-N 0 0 462.573 4.871 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495320 555407203 /nfs/dbraw/zinc/40/72/03/555407203.db2.gz KFBMHBZRVHWPNV-DEOSSOPVSA-N 0 0 471.609 4.795 40 0 JJABRN COc1cc(CN(Cc2ccccc2)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc(OC)c1OC ZINC000013496047 555410798 /nfs/dbraw/zinc/41/07/98/555410798.db2.gz QNTTWSQZKFGSJF-HSZRJFAPSA-N 0 0 467.614 4.853 40 0 JJABRN Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1F ZINC000013497763 555415147 /nfs/dbraw/zinc/41/51/47/555415147.db2.gz KMCGEBHSDVHHRY-XMMPIXPASA-N 0 0 451.567 4.966 40 0 JJABRN Cc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498544 555422153 /nfs/dbraw/zinc/42/21/53/555422153.db2.gz SNUFXMBTWZVCTQ-AREMUKBSSA-N 0 0 482.588 4.864 40 0 JJABRN Cc1cc2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498838 555425049 /nfs/dbraw/zinc/42/50/49/555425049.db2.gz SUCJFJUXHGGEQM-XMMPIXPASA-N 0 0 473.625 4.681 40 0 JJABRN Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499023 555427119 /nfs/dbraw/zinc/42/71/19/555427119.db2.gz BBTKXVPWIMYQCZ-DHLKQENFSA-N 0 0 478.641 4.625 40 0 JJABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499010 555427139 /nfs/dbraw/zinc/42/71/39/555427139.db2.gz RIPXTVCAQJJNDV-XUZZJYLKSA-N 0 0 480.657 4.655 40 0 JJABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)N4CCCc5ccccc54)n21)CC[C@H](C)C3 ZINC000013499728 555434418 /nfs/dbraw/zinc/43/44/18/555434418.db2.gz XCSQNKNMINBZMG-AWEZNQCLSA-N 0 0 463.632 4.844 40 0 JJABRN CCOc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 ZINC000013499716 555434451 /nfs/dbraw/zinc/43/44/51/555434451.db2.gz WGOVMCUMXSNOGJ-ZDUSSCGKSA-N 0 0 467.620 4.902 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(OC)ccc4OC)n21)CC[C@H](C)C3 ZINC000013499755 555434715 /nfs/dbraw/zinc/43/47/15/555434715.db2.gz DIANXNNNRDEFJQ-ZDUSSCGKSA-N 0 0 497.646 4.774 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4OC)n21)CC[C@@H](C)C3 ZINC000013499754 555434732 /nfs/dbraw/zinc/43/47/32/555434732.db2.gz CVOYPPYXTCMRKF-CYBMUJFWSA-N 0 0 467.620 4.766 40 0 JJABRN CCC(=O)Nc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(CC)n23)CCCC5)cc1 ZINC000013499926 555435384 /nfs/dbraw/zinc/43/53/84/555435384.db2.gz MRRPJRDIWOGOLQ-UHFFFAOYSA-N 0 0 494.646 4.860 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500742 555443438 /nfs/dbraw/zinc/44/34/38/555443438.db2.gz LEIWZHOTQBIIDW-HSZRJFAPSA-N 0 0 478.597 4.805 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501077 555447278 /nfs/dbraw/zinc/44/72/78/555447278.db2.gz HCHAHGBKNHVZHU-QHCPKHFHSA-N 0 0 460.582 4.669 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501143 555447752 /nfs/dbraw/zinc/44/77/52/555447752.db2.gz BJBYZCNDSSLEDI-VWLOTQADSA-N 0 0 456.594 4.767 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2cccc(C)c2)cc1 ZINC000013501404 555449658 /nfs/dbraw/zinc/44/96/58/555449658.db2.gz AEKJKDTVLLXGNM-MHZLTWQESA-N 0 0 472.589 4.716 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2ccccn2)c2ccccc2F)cc1 ZINC000013501476 555449896 /nfs/dbraw/zinc/44/98/96/555449896.db2.gz YEDWEQUCTNCBJK-SANMLTNESA-N 0 0 490.579 4.937 40 0 JJABRN O=C(CCC(=O)N([C@H](C(=O)NC1CCCC1)c1ccc(O)cc1)C1CCCCC1)Nc1nccs1 ZINC000013501690 555450971 /nfs/dbraw/zinc/45/09/71/555450971.db2.gz ZZGRTFCUVVOFTR-DEOSSOPVSA-N 0 0 498.649 4.529 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501752 555451196 /nfs/dbraw/zinc/45/11/96/555451196.db2.gz UAGNJNDOLIGRFV-QHCPKHFHSA-N 0 0 482.581 4.608 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000013501757 555451224 /nfs/dbraw/zinc/45/12/24/555451224.db2.gz WPHXFKBFZLQSMZ-XMMPIXPASA-N 0 0 496.608 4.917 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501826 555451768 /nfs/dbraw/zinc/45/17/68/555451768.db2.gz ICCXEPCHCWTKTI-QFIPXVFZSA-N 0 0 498.674 4.917 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C)cc2)cc1 ZINC000013502049 555452524 /nfs/dbraw/zinc/45/25/24/555452524.db2.gz BDOYSEBSURCEHI-UHFFFAOYSA-N 0 0 479.587 4.535 40 0 JJABRN O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000013502126 555453014 /nfs/dbraw/zinc/45/30/14/555453014.db2.gz ZLHABORKZSODBB-SANMLTNESA-N 0 0 489.547 4.782 40 0 JJABRN COC(=O)c1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000013502300 555454093 /nfs/dbraw/zinc/45/40/93/555454093.db2.gz HEBDFTJXSBCXJV-RUZDIDTESA-N 0 0 489.547 4.844 40 0 JJABRN Cc1cc(NC(=O)CSc2nnc3c4c5c(sc4nc(C(C)C)n23)C[C@H](C)CC5)no1 ZINC000013502553 555455922 /nfs/dbraw/zinc/45/59/22/555455922.db2.gz CVJKZJJHMWTIHJ-LLVKDONJSA-N 0 0 456.597 4.614 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504720 555464588 /nfs/dbraw/zinc/46/45/88/555464588.db2.gz VIYFKZJOVHCLJU-OAQYLSRUSA-N 0 0 462.495 4.543 40 0 JJABRN CCc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000013505991 555469093 /nfs/dbraw/zinc/46/90/93/555469093.db2.gz ZLNRQFRIFCQMKL-RUZDIDTESA-N 0 0 493.629 4.775 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2C)o1 ZINC000013506022 555469337 /nfs/dbraw/zinc/46/93/37/555469337.db2.gz AZEDURANTFWENB-VWLOTQADSA-N 0 0 493.629 4.829 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1C ZINC000013506075 555469658 /nfs/dbraw/zinc/46/96/58/555469658.db2.gz SMQIUMZTPZXUMM-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1C ZINC000013506137 555469803 /nfs/dbraw/zinc/46/98/03/555469803.db2.gz VNWCNLNGNXYENP-XMMPIXPASA-N 0 0 495.670 4.990 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506140 555470060 /nfs/dbraw/zinc/47/00/60/555470060.db2.gz DLFIGMJVKGOTHC-DEOSSOPVSA-N 0 0 495.670 4.990 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 ZINC000013506207 555470307 /nfs/dbraw/zinc/47/03/07/555470307.db2.gz GHQNSKCZUOMGBT-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013507051 555475147 /nfs/dbraw/zinc/47/51/47/555475147.db2.gz KDGBDIUCMSJBQB-AREMUKBSSA-N 0 0 491.563 4.544 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507447 555476199 /nfs/dbraw/zinc/47/61/99/555476199.db2.gz JZNMHDGMBWFQEJ-VWLOTQADSA-N 0 0 495.526 4.511 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013507827 555477298 /nfs/dbraw/zinc/47/72/98/555477298.db2.gz MNWIDNFDOJJZCS-AREMUKBSSA-N 0 0 473.573 4.541 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)n1 ZINC000013509539 555481366 /nfs/dbraw/zinc/48/13/66/555481366.db2.gz AOXQLDPOXFVAGJ-UHFFFAOYSA-N 0 0 470.639 4.776 40 0 JJABRN FC(F)(F)c1cccc(N2CCN([C@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)c1 ZINC000013511628 555483319 /nfs/dbraw/zinc/48/33/19/555483319.db2.gz JQFLVOISDBUMMA-HSZRJFAPSA-N 0 0 498.578 4.908 40 0 JJABRN COc1ccc(N2O[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013563595 555498742 /nfs/dbraw/zinc/49/87/42/555498742.db2.gz KKTSAQMJSJALQX-UODIDJSMSA-N 0 0 450.494 4.900 40 0 JJABRN CCSc1nnc([C@H]2CCCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)n1CC ZINC000013565141 555501178 /nfs/dbraw/zinc/50/11/78/555501178.db2.gz NFVJNJQRWPQVOA-ZDUSSCGKSA-N 0 0 475.968 4.900 40 0 JJABRN CCC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)ccc1OC ZINC000013570051 555508444 /nfs/dbraw/zinc/50/84/44/555508444.db2.gz WOHBPKHEXILRIQ-UHFFFAOYSA-N 0 0 464.503 4.724 40 0 JJABRN CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019855623 555513066 /nfs/dbraw/zinc/51/30/66/555513066.db2.gz TYVCBMPFQCMYJF-UHFFFAOYSA-N 0 0 488.993 4.971 40 0 JJABRN O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000019856285 555514740 /nfs/dbraw/zinc/51/47/40/555514740.db2.gz JTCMZHPHUSVSGY-UHFFFAOYSA-N 0 0 453.029 4.777 40 0 JJABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019856280 555514781 /nfs/dbraw/zinc/51/47/81/555514781.db2.gz XJZNXPIWJXFADQ-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000019856659 555516893 /nfs/dbraw/zinc/51/68/93/555516893.db2.gz CVGKKVUZKAIJTC-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000019856802 555517438 /nfs/dbraw/zinc/51/74/38/555517438.db2.gz ZKCOGSCGCHWRAE-UHFFFAOYSA-N 0 0 452.576 4.872 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581594 555519583 /nfs/dbraw/zinc/51/95/83/555519583.db2.gz PYFJCOWLCKTAJL-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN O=C(Nc1c(Cl)cccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000019868129 555522557 /nfs/dbraw/zinc/52/25/57/555522557.db2.gz ZXVIFHVDWQGCKO-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584959 555522922 /nfs/dbraw/zinc/52/29/22/555522922.db2.gz GTANGFCAQXQIMC-UHFFFAOYSA-N 0 0 478.492 4.938 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000013585176 555523158 /nfs/dbraw/zinc/52/31/58/555523158.db2.gz VYHNNKKOTPFYOC-UHFFFAOYSA-N 0 0 492.641 4.680 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000013585115 555523164 /nfs/dbraw/zinc/52/31/64/555523164.db2.gz KTNRKYJUMPGKLS-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585342 555523433 /nfs/dbraw/zinc/52/34/33/555523433.db2.gz OKHCAYJYCBNWBR-UHFFFAOYSA-N 0 0 468.575 4.626 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868959 555523618 /nfs/dbraw/zinc/52/36/18/555523618.db2.gz GQUHKUBNNJEOOI-SNVBAGLBSA-N 0 0 453.800 4.748 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(C)ccc2OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585353 555523678 /nfs/dbraw/zinc/52/36/78/555523678.db2.gz OUPGCGAPTZHWBI-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 ZINC000013585452 555523714 /nfs/dbraw/zinc/52/37/14/555523714.db2.gz XOJMNSONHATBCO-UHFFFAOYSA-N 0 0 466.603 4.684 40 0 JJABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)NC(C)C)cc2)cc1 ZINC000013585570 555523938 /nfs/dbraw/zinc/52/39/38/555523938.db2.gz BGQGTFHMVWTDDZ-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)C1(CO)c3ccccc3C2c2ccccc21 ZINC000013590875 555525207 /nfs/dbraw/zinc/52/52/07/555525207.db2.gz FKDLCASMIHLVDB-ZKKFKWFVSA-N 0 0 450.321 4.537 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000013612087 555534439 /nfs/dbraw/zinc/53/44/39/555534439.db2.gz LQDSWYUZMTYSIU-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000013613598 555535339 /nfs/dbraw/zinc/53/53/39/555535339.db2.gz NMBMNDAWMOLERA-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C(C)C)cc2)cc1 ZINC000013632380 555542236 /nfs/dbraw/zinc/54/22/36/555542236.db2.gz PFEPLZMDDSRHBA-UHFFFAOYSA-N 0 0 450.604 4.939 40 0 JJABRN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)Nc1ccc(Br)cc1 ZINC000019927771 555542510 /nfs/dbraw/zinc/54/25/10/555542510.db2.gz VGJOBPQXKTZFFC-UHFFFAOYSA-N 0 0 468.174 4.728 40 0 JJABRN Cc1ccc(NC(=O)Cn2c3ccc(Br)cc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000013634493 555544029 /nfs/dbraw/zinc/54/40/29/555544029.db2.gz GYSIFZFZYBECHW-UHFFFAOYSA-N 0 0 498.764 4.515 40 0 JJABRN CCCCN1c2ccc(Br)cc2[C@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635555 555544989 /nfs/dbraw/zinc/54/49/89/555544989.db2.gz FSMKTOUCBGEZIH-XMMPIXPASA-N 0 0 466.379 4.725 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000019933049 555550369 /nfs/dbraw/zinc/55/03/69/555550369.db2.gz LTBRUJZLRMXYNV-UHFFFAOYSA-N 0 0 462.980 4.880 40 0 JJABRN Cc1cccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013645968 555550452 /nfs/dbraw/zinc/55/04/52/555550452.db2.gz DDKFJTYQONOQIV-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC ZINC000019933222 555550605 /nfs/dbraw/zinc/55/06/05/555550605.db2.gz LWZZYYCEADMBEO-SFHVURJKSA-N 0 0 468.575 4.612 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000019933715 555550899 /nfs/dbraw/zinc/55/08/99/555550899.db2.gz SBWLRBZFMUIFPL-UHFFFAOYSA-N 0 0 479.440 4.744 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c(C)c1 ZINC000013647100 555551410 /nfs/dbraw/zinc/55/14/10/555551410.db2.gz MNRXYONPEVLIDE-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000019934427 555551690 /nfs/dbraw/zinc/55/16/90/555551690.db2.gz ZGNJOKJKEKYIKV-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019934632 555551873 /nfs/dbraw/zinc/55/18/73/555551873.db2.gz TZVIZCDRLYSIRR-UHFFFAOYSA-N 0 0 463.386 4.847 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(C)cc2)cc1 ZINC000013647547 555551939 /nfs/dbraw/zinc/55/19/39/555551939.db2.gz AXQDJAURLPSCIG-FQEVSTJZSA-N 0 0 464.587 4.567 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccc(C)cc2)cc1 ZINC000013647549 555552003 /nfs/dbraw/zinc/55/20/03/555552003.db2.gz AXQDJAURLPSCIG-HXUWFJFHSA-N 0 0 464.587 4.567 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 ZINC000019934830 555552291 /nfs/dbraw/zinc/55/22/91/555552291.db2.gz RBHFBVVMUNBUQI-UHFFFAOYSA-N 0 0 457.939 4.660 40 0 JJABRN CCc1cccc(C)c1NC(=O)C[C@@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 ZINC000019935899 555553120 /nfs/dbraw/zinc/55/31/20/555553120.db2.gz VGTAFEYERGXTNT-DEOSSOPVSA-N 0 0 466.603 4.957 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013649109 555553496 /nfs/dbraw/zinc/55/34/96/555553496.db2.gz KZGHUNRLGYESDT-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN COc1ccc([C@H](CC(=O)Nc2ccc(F)c(F)c2F)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936299 555554441 /nfs/dbraw/zinc/55/44/41/555554441.db2.gz YNYQBMIWRZDFCY-FQEVSTJZSA-N 0 0 478.492 4.503 40 0 JJABRN CN(c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937829 555554577 /nfs/dbraw/zinc/55/45/77/555554577.db2.gz HBZYCARSADEYDK-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019937862 555554640 /nfs/dbraw/zinc/55/46/40/555554640.db2.gz MTKIDUVMCRJBTN-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938029 555555201 /nfs/dbraw/zinc/55/52/01/555555201.db2.gz BFILNHUDUBWLCX-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN CCN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938017 555555209 /nfs/dbraw/zinc/55/52/09/555555209.db2.gz HQHWYNCCOWIVDH-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013670706 555561794 /nfs/dbraw/zinc/56/17/94/555561794.db2.gz LGXIXKQZXIANBG-HXUWFJFHSA-N 0 0 464.587 4.567 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000013670761 555561818 /nfs/dbraw/zinc/56/18/18/555561818.db2.gz GYSDTCPOXPOOOD-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000013670986 555562082 /nfs/dbraw/zinc/56/20/82/555562082.db2.gz HCFOSFGAZBRFBJ-UHFFFAOYSA-N 0 0 450.604 4.632 40 0 JJABRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000013671103 555562582 /nfs/dbraw/zinc/56/25/82/555562582.db2.gz LUXKOUNXDFSDCG-UHFFFAOYSA-N 0 0 452.576 4.637 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3cccc(C)c3)cc2)cc1 ZINC000013673364 555564865 /nfs/dbraw/zinc/56/48/65/555564865.db2.gz RCWIOIPAQVMKLZ-UHFFFAOYSA-N 0 0 468.644 4.905 40 0 JJABRN C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013675994 555566969 /nfs/dbraw/zinc/56/69/69/555566969.db2.gz WFPGOHJEZVXMEO-HNNXBMFYSA-N 0 0 456.530 4.646 40 0 JJABRN O=C(NC1CCCCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676845 555567879 /nfs/dbraw/zinc/56/78/79/555567879.db2.gz KIQXUPPVHYTNCQ-MRXNPFEDSA-N 0 0 461.455 4.764 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000013677324 555568356 /nfs/dbraw/zinc/56/83/56/555568356.db2.gz ODLYCQFXMPITGQ-DEOSSOPVSA-N 0 0 450.560 4.546 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1C ZINC000013677999 555569164 /nfs/dbraw/zinc/56/91/64/555569164.db2.gz KYTGXFKTEYYJQL-MRXNPFEDSA-N 0 0 455.407 4.791 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccccc2Br)cc1)S(=O)(=O)c1cccs1 ZINC000013678719 555569939 /nfs/dbraw/zinc/56/99/39/555569939.db2.gz PHAPZUWHFKDDDR-UHFFFAOYSA-N 0 0 451.367 4.588 40 0 JJABRN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000013679031 555570487 /nfs/dbraw/zinc/57/04/87/555570487.db2.gz FIUMBXXKUAYEFM-UHFFFAOYSA-N 0 0 473.447 4.896 40 0 JJABRN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679795 555571583 /nfs/dbraw/zinc/57/15/83/555571583.db2.gz CVIJEPRCZBVDTI-ZDUSSCGKSA-N 0 0 461.798 4.827 40 0 JJABRN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013680696 555573322 /nfs/dbraw/zinc/57/33/22/555573322.db2.gz LKVRGPICPVPWSS-UHFFFAOYSA-N 0 0 471.406 4.573 40 0 JJABRN CSc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000013680991 555573806 /nfs/dbraw/zinc/57/38/06/555573806.db2.gz MUCINZDBFFBWER-UHFFFAOYSA-N 0 0 473.447 4.896 40 0 JJABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c(OC)c1OC ZINC000009973457 555573976 /nfs/dbraw/zinc/57/39/76/555573976.db2.gz NWAKDRRFESGLOR-OQLLNIDSSA-N 0 0 496.585 4.782 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O ZINC000009973627 555574378 /nfs/dbraw/zinc/57/43/78/555574378.db2.gz HPIWJPSTBXNQMI-GMXDNTTCSA-N 0 0 487.600 4.741 40 0 JJABRN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000013682583 555575936 /nfs/dbraw/zinc/57/59/36/555575936.db2.gz GFMUUFDVAPAJEI-UHFFFAOYSA-N 0 0 476.642 4.567 40 0 JJABRN CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCc2ccc(Cl)cc2)C(=O)N(C)C1=O ZINC000009973954 555576121 /nfs/dbraw/zinc/57/61/21/555576121.db2.gz HKPDGELKBIOTRK-UHFFFAOYSA-N 0 0 450.347 4.601 40 0 JJABRN Cc1ccc(NC(SCc2ccc(Cl)cc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973959 555576180 /nfs/dbraw/zinc/57/61/80/555576180.db2.gz ZVXBNNAGZPNVJW-UHFFFAOYSA-N 0 0 464.374 4.909 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000020004428 555577656 /nfs/dbraw/zinc/57/76/56/555577656.db2.gz XOAPJAPYEASIOD-DEOSSOPVSA-N 0 0 450.604 4.757 40 0 JJABRN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000020004395 555577738 /nfs/dbraw/zinc/57/77/38/555577738.db2.gz YNKVNSUCCKWRAO-XMMPIXPASA-N 0 0 450.604 4.757 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)c(C)c1 ZINC000020004479 555578086 /nfs/dbraw/zinc/57/80/86/555578086.db2.gz LYLRGONXAVSSJM-QFIPXVFZSA-N 0 0 456.995 4.794 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1 ZINC000020004584 555578292 /nfs/dbraw/zinc/57/82/92/555578292.db2.gz AFRGQJZIXMRHOH-JOCHJYFZSA-N 0 0 474.985 4.933 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020005655 555579955 /nfs/dbraw/zinc/57/99/55/555579955.db2.gz SQFIXENRAOQOOP-XMMPIXPASA-N 0 0 496.629 4.575 40 0 JJABRN CCCCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 ZINC000009974709 555580221 /nfs/dbraw/zinc/58/02/21/555580221.db2.gz SJRFELIFVYJVDZ-GOSISDBHSA-N 0 0 465.015 4.731 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2SC)cc1Cl ZINC000020006466 555581120 /nfs/dbraw/zinc/58/11/20/555581120.db2.gz ZLKJEOVDPHUAPE-HXUWFJFHSA-N 0 0 491.034 4.599 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000020006950 555581310 /nfs/dbraw/zinc/58/13/10/555581310.db2.gz MQBYEINKHUAXIV-HSZRJFAPSA-N 0 0 466.603 4.655 40 0 JJABRN O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688518 555581941 /nfs/dbraw/zinc/58/19/41/555581941.db2.gz GSMKPVYGGKVISG-UHFFFAOYSA-N 0 0 492.222 4.795 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(Cl)cccc2Cl)cc1C ZINC000020008824 555583615 /nfs/dbraw/zinc/58/36/15/555583615.db2.gz AYSBVZULTQUSDF-FQEVSTJZSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C ZINC000020008837 555583675 /nfs/dbraw/zinc/58/36/75/555583675.db2.gz XPXUCNIEUSIXHH-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2Cl)cc1C ZINC000020008815 555583691 /nfs/dbraw/zinc/58/36/91/555583691.db2.gz FCFXYNTWASMGPN-OAQYLSRUSA-N 0 0 493.412 4.839 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010349 555586153 /nfs/dbraw/zinc/58/61/53/555586153.db2.gz FCKGQWXJQDXYBD-HXUWFJFHSA-N 0 0 468.644 4.785 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010575 555586431 /nfs/dbraw/zinc/58/64/31/555586431.db2.gz KOTGCAUCQCWHTG-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccc(Cl)cc2)cc1 ZINC000020010615 555586437 /nfs/dbraw/zinc/58/64/37/555586437.db2.gz KPCQEINZMKFUOG-UHFFFAOYSA-N 0 0 482.911 4.895 40 0 JJABRN CSc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020010437 555586506 /nfs/dbraw/zinc/58/65/06/555586506.db2.gz CJIIAZNSTILVCG-NRFANRHFSA-N 0 0 482.671 4.828 40 0 JJABRN Cc1ccc(F)cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020010846 555586702 /nfs/dbraw/zinc/58/67/02/555586702.db2.gz WPAIQKADLNIKHK-UHFFFAOYSA-N 0 0 491.382 4.726 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011790 555587849 /nfs/dbraw/zinc/58/78/49/555587849.db2.gz YTFORDRAJWIAIY-KRWDZBQOSA-N 0 0 490.984 4.556 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011717 555587915 /nfs/dbraw/zinc/58/79/15/555587915.db2.gz BLQAQPNDEZYLFX-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020012062 555588114 /nfs/dbraw/zinc/58/81/14/555588114.db2.gz JXJJXPDQGGBQMU-XMMPIXPASA-N 0 0 486.996 4.864 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020012667 555588888 /nfs/dbraw/zinc/58/88/88/555588888.db2.gz YBXLGXSJKQJUDR-LJQANCHMSA-N 0 0 487.021 4.725 40 0 JJABRN CC[C@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712429 555589775 /nfs/dbraw/zinc/58/97/75/555589775.db2.gz YHPHFFKKAVGJSQ-LJQANCHMSA-N 0 0 493.453 4.727 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(SC)cc1)Cc1ccccc1 ZINC000020013775 555590037 /nfs/dbraw/zinc/59/00/37/555590037.db2.gz IQSUZUNDBTYBHB-FQEVSTJZSA-N 0 0 498.670 4.794 40 0 JJABRN CCN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020014058 555590222 /nfs/dbraw/zinc/59/02/22/555590222.db2.gz XUAANERTPCUZJO-UHFFFAOYSA-N 0 0 468.419 4.682 40 0 JJABRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3O)oc2c(C)c1 ZINC000010003548 555590540 /nfs/dbraw/zinc/59/05/40/555590540.db2.gz KZLWVOKVIWSHAF-UHFFFAOYSA-N 0 0 461.499 4.673 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C2CCCCC2)cc1Cl ZINC000020014426 555590589 /nfs/dbraw/zinc/59/05/89/555590589.db2.gz YOKOXNPQBKNLPA-UHFFFAOYSA-N 0 0 490.931 4.728 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)C2CCCCC2)cc1Cl ZINC000020014435 555590617 /nfs/dbraw/zinc/59/06/17/555590617.db2.gz ZEYILOJQNNDGDD-UHFFFAOYSA-N 0 0 468.978 4.758 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccccc2)cc1Cl ZINC000020014368 555590643 /nfs/dbraw/zinc/59/06/43/555590643.db2.gz HZRVPBVKTMQVHT-UHFFFAOYSA-N 0 0 498.910 4.596 40 0 JJABRN CCN(CC(=O)N[C@H](C)c1ccc(SC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014726 555590935 /nfs/dbraw/zinc/59/09/35/555590935.db2.gz VEOHJSNSKRZSCO-CYBMUJFWSA-N 0 0 461.436 4.603 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713467 555590982 /nfs/dbraw/zinc/59/09/82/555590982.db2.gz APLUAROTCHORFE-FQEVSTJZSA-N 0 0 489.490 4.896 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccccc2)cc1C ZINC000020015218 555591429 /nfs/dbraw/zinc/59/14/29/555591429.db2.gz KMTAAAHZFNKGHV-AREMUKBSSA-N 0 0 492.641 4.778 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000020015470 555591447 /nfs/dbraw/zinc/59/14/47/555591447.db2.gz UNBAIFZTEVUBOW-GOSISDBHSA-N 0 0 479.042 4.940 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1N1CCCC1 ZINC000010009885 555591684 /nfs/dbraw/zinc/59/16/84/555591684.db2.gz AJEKHZZEDDFDME-UHFFFAOYSA-N 0 0 456.395 4.534 40 0 JJABRN CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714470 555591944 /nfs/dbraw/zinc/59/19/44/555591944.db2.gz OBQRDRYEVIWDKB-QGZVFWFLSA-N 0 0 459.793 4.594 40 0 JJABRN CC[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714780 555592215 /nfs/dbraw/zinc/59/22/15/555592215.db2.gz LOSXPPRRRJWULU-INIZCTEOSA-N 0 0 480.211 4.939 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)c(C)c1 ZINC000020016537 555592609 /nfs/dbraw/zinc/59/26/09/555592609.db2.gz DUVDZGXGBOWFAV-UHFFFAOYSA-N 0 0 472.504 4.809 40 0 JJABRN CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000010010406 555592734 /nfs/dbraw/zinc/59/27/34/555592734.db2.gz HNYAQPGTGCIFHS-UHFFFAOYSA-N 0 0 463.965 4.840 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(C(F)(F)F)c3)C2)c(C)c1 ZINC000020017143 555592800 /nfs/dbraw/zinc/59/28/00/555592800.db2.gz YDXBLENJLHDJOW-INIZCTEOSA-N 0 0 472.504 4.809 40 0 JJABRN COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2s1 ZINC000020019939 555596144 /nfs/dbraw/zinc/59/61/44/555596144.db2.gz RBCSZWAYBHCTEL-UHFFFAOYSA-N 0 0 496.566 4.506 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020190 555596532 /nfs/dbraw/zinc/59/65/32/555596532.db2.gz AWARUKFNGGITFD-KRWDZBQOSA-N 0 0 458.967 4.705 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020020435 555597290 /nfs/dbraw/zinc/59/72/90/555597290.db2.gz MXURRHVLQNQOEP-QHCPKHFHSA-N 0 0 470.978 4.713 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cc(F)ccc1F ZINC000020020933 555597907 /nfs/dbraw/zinc/59/79/07/555597907.db2.gz RXLCIRUKEIGDIK-UHFFFAOYSA-N 0 0 486.418 4.802 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000020021077 555598128 /nfs/dbraw/zinc/59/81/28/555598128.db2.gz TWEOMVHXHIKJSH-KRWDZBQOSA-N 0 0 488.993 4.714 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1Cl ZINC000020021101 555598179 /nfs/dbraw/zinc/59/81/79/555598179.db2.gz AERROVDQOZDIGI-UHFFFAOYSA-N 0 0 466.893 4.745 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020021599 555598793 /nfs/dbraw/zinc/59/87/93/555598793.db2.gz VDRIELWKOSIOKB-XMMPIXPASA-N 0 0 464.587 4.677 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020022120 555599321 /nfs/dbraw/zinc/59/93/21/555599321.db2.gz OVFYQBPMBDWCDL-RUZDIDTESA-N 0 0 490.625 4.709 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022140 555599549 /nfs/dbraw/zinc/59/95/49/555599549.db2.gz NPLRZBJQUYCMSU-UHFFFAOYSA-N 0 0 490.503 4.571 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022424 555599920 /nfs/dbraw/zinc/59/99/20/555599920.db2.gz MDJACNCULGMZSF-MRXNPFEDSA-N 0 0 476.957 4.845 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000020022412 555600003 /nfs/dbraw/zinc/60/00/03/555600003.db2.gz HHQNIBYXTBCYHT-UHFFFAOYSA-N 0 0 466.893 4.745 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022409 555600036 /nfs/dbraw/zinc/60/00/36/555600036.db2.gz YNDQTFBFJGRWOW-UHFFFAOYSA-N 0 0 484.883 4.884 40 0 JJABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(Br)c1 ZINC000020023710 555601763 /nfs/dbraw/zinc/60/17/63/555601763.db2.gz BQZROPWGTRQTBV-QGZVFWFLSA-N 0 0 493.467 4.870 40 0 JJABRN CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020024445 555602388 /nfs/dbraw/zinc/60/23/88/555602388.db2.gz KLMSWTZXKPTCCR-UHFFFAOYSA-N 0 0 468.419 4.546 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(F)c(F)c1F ZINC000020024677 555602634 /nfs/dbraw/zinc/60/26/34/555602634.db2.gz RGASKHSZFZGPLF-UHFFFAOYSA-N 0 0 474.504 4.817 40 0 JJABRN COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000020025121 555603185 /nfs/dbraw/zinc/60/31/85/555603185.db2.gz MEWKFVZAIHBQDM-MRXNPFEDSA-N 0 0 495.439 4.513 40 0 JJABRN CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCc1ccccc1Cl ZINC000010041395 555605990 /nfs/dbraw/zinc/60/59/90/555605990.db2.gz KDBOMEUYQVGNAW-ZRDIBKRKSA-N 0 0 472.998 4.591 40 0 JJABRN Cc1ccc([C@H](NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000020035639 555610147 /nfs/dbraw/zinc/61/01/47/555610147.db2.gz OFWRVYFQLNUEEY-AREMUKBSSA-N 0 0 462.615 4.830 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020037897 555611847 /nfs/dbraw/zinc/61/18/47/555611847.db2.gz OBLMVCAMAYHNQV-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020038930 555612709 /nfs/dbraw/zinc/61/27/09/555612709.db2.gz AQMCEDIBAFOPEA-MBSDFSHPSA-N 0 0 456.995 4.709 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccc(C)c(C)c2)cc1 ZINC000020039288 555612823 /nfs/dbraw/zinc/61/28/23/555612823.db2.gz MNANTSMKDYGDDA-UHFFFAOYSA-N 0 0 491.613 4.573 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2F)cc1 ZINC000020039665 555613005 /nfs/dbraw/zinc/61/30/05/555613005.db2.gz XNZBCMXLFRIMRO-HSZRJFAPSA-N 0 0 452.551 4.523 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(F)cc2)cc1 ZINC000020040767 555613589 /nfs/dbraw/zinc/61/35/89/555613589.db2.gz KARBSDBWWHZFHF-LJQANCHMSA-N 0 0 470.566 4.524 40 0 JJABRN CCSc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000020041089 555613715 /nfs/dbraw/zinc/61/37/15/555613715.db2.gz VIKSEWPOGFGGKM-JOCHJYFZSA-N 0 0 468.600 4.702 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000020041592 555613959 /nfs/dbraw/zinc/61/39/59/555613959.db2.gz PMFAWTKKSVIIQF-UHFFFAOYSA-N 0 0 456.589 4.844 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020046481 555616863 /nfs/dbraw/zinc/61/68/63/555616863.db2.gz PGXDLLGJXYCAPB-VQTJNVASSA-N 0 0 482.602 4.910 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020046273 555616915 /nfs/dbraw/zinc/61/69/15/555616915.db2.gz FHJLIAKLTPDSOT-OFVILXPXSA-N 0 0 450.604 4.672 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000020047443 555617971 /nfs/dbraw/zinc/61/79/71/555617971.db2.gz SRDWQVGBZHHZEJ-VWLOTQADSA-N 0 0 466.603 4.775 40 0 JJABRN CCc1ccc(N2CCCCn3c4c(nc32)n(C)c(=O)n(Cc2c(Cl)cccc2Cl)c4=O)cc1 ZINC000010102069 555618261 /nfs/dbraw/zinc/61/82/61/555618261.db2.gz MHMACLJANFCIBG-UHFFFAOYSA-N 0 0 498.414 4.746 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020049394 555619008 /nfs/dbraw/zinc/61/90/08/555619008.db2.gz RFPZMYSLSSTBKC-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OCC ZINC000020049695 555619146 /nfs/dbraw/zinc/61/91/46/555619146.db2.gz XPWXGXSAYQYJPV-UHFFFAOYSA-N 0 0 498.601 4.865 40 0 JJABRN CC(C)C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000020050586 555619720 /nfs/dbraw/zinc/61/97/20/555619720.db2.gz ZBQUIPSEHIRACK-XMMPIXPASA-N 0 0 454.567 4.925 40 0 JJABRN Cc1cccc(CCCNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000010110654 555620609 /nfs/dbraw/zinc/62/06/09/555620609.db2.gz WLOJKTYVVDUBDZ-UHFFFAOYSA-N 0 0 450.604 4.556 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010110673 555620760 /nfs/dbraw/zinc/62/07/60/555620760.db2.gz PWXKQYAIWJGUJA-UHFFFAOYSA-N 0 0 480.630 4.646 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccc(Cl)cc2)cc1 ZINC000010110716 555620849 /nfs/dbraw/zinc/62/08/49/555620849.db2.gz LEVWPJUIEHGHBQ-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000010110968 555621413 /nfs/dbraw/zinc/62/14/13/555621413.db2.gz ZEVSHFSXMMEZKM-UHFFFAOYSA-N 0 0 480.630 4.723 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1C ZINC000010112288 555625355 /nfs/dbraw/zinc/62/53/55/555625355.db2.gz JVFHOYMDEDUSNH-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c(C)c1 ZINC000010112379 555625750 /nfs/dbraw/zinc/62/57/50/555625750.db2.gz YHQSAKZAIWFQFC-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccs4)N4C=Cc5ccccc5[C@H]34)C2O)cc1C ZINC000013811018 555626916 /nfs/dbraw/zinc/62/69/16/555626916.db2.gz YYQNJIUEUKXAON-YCAMKHIRSA-N 0 0 454.551 4.763 40 0 JJABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)Cc3ccccc3)cc2c1 ZINC000020083851 555631637 /nfs/dbraw/zinc/63/16/37/555631637.db2.gz YEMGXNWUBVWGRK-VWLOTQADSA-N 0 0 498.587 4.663 40 0 JJABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000013845262 555633715 /nfs/dbraw/zinc/63/37/15/555633715.db2.gz YFIFVLVYSBJVAL-UHFFFAOYSA-N 0 0 467.378 4.923 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000010128331 555633927 /nfs/dbraw/zinc/63/39/27/555633927.db2.gz JSOPMWGXHIIVDK-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128661 555634154 /nfs/dbraw/zinc/63/41/54/555634154.db2.gz LMONPSIUQMNCIS-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128483 555634165 /nfs/dbraw/zinc/63/41/65/555634165.db2.gz PKMYBXYFVFVGHF-NRFANRHFSA-N 0 0 497.831 4.853 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850041 555634208 /nfs/dbraw/zinc/63/42/08/555634208.db2.gz PJPKLTXTAKCEKD-AWEZNQCLSA-N 0 0 461.385 4.931 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128651 555634202 /nfs/dbraw/zinc/63/42/02/555634202.db2.gz HKQKJVACHHYXFA-OAQYLSRUSA-N 0 0 463.386 4.830 40 0 JJABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000010128670 555634386 /nfs/dbraw/zinc/63/43/86/555634386.db2.gz VYJFOUZZFJLPDH-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000020104207 555636200 /nfs/dbraw/zinc/63/62/00/555636200.db2.gz FKSCKTZESSPSFJ-IBGZPJMESA-N 0 0 452.576 4.994 40 0 JJABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000020104948 555637698 /nfs/dbraw/zinc/63/76/98/555637698.db2.gz GMHBFJMKVHAVRA-HSZRJFAPSA-N 0 0 463.043 4.785 40 0 JJABRN COc1ccc(C(=O)N2c3ccccc3[C@@H](N(c3ccccc3)S(C)(=O)=O)C[C@H]2C)cc1 ZINC000010153338 555637967 /nfs/dbraw/zinc/63/79/67/555637967.db2.gz UOHFLQUPSVHECI-KOSHJBKYSA-N 0 0 450.560 4.642 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020105456 555639004 /nfs/dbraw/zinc/63/90/04/555639004.db2.gz JKMZLCWCDDSFAJ-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000020105470 555639008 /nfs/dbraw/zinc/63/90/08/555639008.db2.gz ALYRCSUTMRKDSH-UHFFFAOYSA-N 0 0 479.341 4.833 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020108309 555643213 /nfs/dbraw/zinc/64/32/13/555643213.db2.gz SSDPTZSVCNYRDD-UHFFFAOYSA-N 0 0 460.905 4.927 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c(C)c1 ZINC000020108852 555644046 /nfs/dbraw/zinc/64/40/46/555644046.db2.gz AIVLENUPPZQFSI-UHFFFAOYSA-N 0 0 477.586 4.792 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc12 ZINC000020109337 555645324 /nfs/dbraw/zinc/64/53/24/555645324.db2.gz BCJSHDYZRICGOL-UHFFFAOYSA-N 0 0 492.627 4.619 40 0 JJABRN CCOC(=O)C1=C(C)N(c2ccccc2C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000013914186 555646064 /nfs/dbraw/zinc/64/60/64/555646064.db2.gz HSEVQWJPTLJURZ-LJQANCHMSA-N 0 0 475.339 4.580 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020110181 555646245 /nfs/dbraw/zinc/64/62/45/555646245.db2.gz AUGQMYDRMMRLMA-UHFFFAOYSA-N 0 0 481.376 4.986 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(C)cc2C)c2ccc(C)cc2)cc1OC ZINC000020111900 555649049 /nfs/dbraw/zinc/64/90/49/555649049.db2.gz UNQICRPMFUQKMD-OAQYLSRUSA-N 0 0 496.629 4.702 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(F)cc3)cc2)cc1 ZINC000020112749 555650296 /nfs/dbraw/zinc/65/02/96/555650296.db2.gz ADMGCYAGUILWCJ-HSZRJFAPSA-N 0 0 472.538 4.821 40 0 JJABRN C[C@H]1[C@H](NC(=O)NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CCC[C@@H]1C ZINC000013987587 555667435 /nfs/dbraw/zinc/66/74/35/555667435.db2.gz IQCMPQGQOCJLTP-WAOWUJCRSA-N 0 0 475.618 4.948 40 0 JJABRN C[C@@H](Sc1nnc(-c2ccoc2)c(-c2ccoc2)n1)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000013992057 555667905 /nfs/dbraw/zinc/66/79/05/555667905.db2.gz QSDHSECRHYGFBQ-OAHLLOKOSA-N 0 0 460.515 4.882 40 0 JJABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 ZINC000014006576 555668600 /nfs/dbraw/zinc/66/86/00/555668600.db2.gz MJKBIUUPULMAAG-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1-c1ccc(CO)o1 ZINC000020152026 555669368 /nfs/dbraw/zinc/66/93/68/555669368.db2.gz BNBAFSITPNBEKP-UHFFFAOYSA-N 0 0 495.782 4.990 40 0 JJABRN COc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1-c1ccc(CO)o1 ZINC000020152301 555669891 /nfs/dbraw/zinc/66/98/91/555669891.db2.gz VZYHVVRIDKIGLU-UHFFFAOYSA-N 0 0 462.527 4.736 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1-c1ccc(CO)o1 ZINC000020153053 555671256 /nfs/dbraw/zinc/67/12/56/555671256.db2.gz BWRFOJQAHIVDRH-UHFFFAOYSA-N 0 0 481.357 4.890 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010294357 555674669 /nfs/dbraw/zinc/67/46/69/555674669.db2.gz UIAOGXYWDFVODC-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN CCOc1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010294722 555674904 /nfs/dbraw/zinc/67/49/04/555674904.db2.gz NXDBLBBNOFJDHS-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccc(F)cc2F)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300225 555676915 /nfs/dbraw/zinc/67/69/15/555676915.db2.gz AGMAONAAEZUOHT-UHFFFAOYSA-N 0 0 490.528 4.515 40 0 JJABRN CCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000010300587 555677508 /nfs/dbraw/zinc/67/75/08/555677508.db2.gz ADRAGUWIQHTNPA-UHFFFAOYSA-N 0 0 456.539 4.539 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000010301028 555677796 /nfs/dbraw/zinc/67/77/96/555677796.db2.gz NDDDDODWQIEDAR-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN Cc1ccc(CSCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000010314778 555680952 /nfs/dbraw/zinc/68/09/52/555680952.db2.gz NCGKVQQQNXIYDI-UHFFFAOYSA-N 0 0 454.617 4.767 40 0 JJABRN COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(OC)cc1Cl ZINC000010315094 555681690 /nfs/dbraw/zinc/68/16/90/555681690.db2.gz BZOFDDQYWFHTRE-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1cc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(OC)cc1Cl ZINC000010315289 555681880 /nfs/dbraw/zinc/68/18/80/555681880.db2.gz DKHRZOZRUGPRQI-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN CC(C)Oc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000010324399 555683500 /nfs/dbraw/zinc/68/35/00/555683500.db2.gz ZAFXFGIVDBQWAD-UHFFFAOYSA-N 0 0 456.539 4.831 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000010324550 555683786 /nfs/dbraw/zinc/68/37/86/555683786.db2.gz BHWGZKJEKXSPAC-INIZCTEOSA-N 0 0 489.490 4.814 40 0 JJABRN C[C@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325354 555684000 /nfs/dbraw/zinc/68/40/00/555684000.db2.gz LLEQNXYVEOYAHN-HNNXBMFYSA-N 0 0 471.376 4.841 40 0 JJABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326905 555685318 /nfs/dbraw/zinc/68/53/18/555685318.db2.gz ABFDSZMYIUNYGQ-SFHVURJKSA-N 0 0 450.560 4.786 40 0 JJABRN CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326909 555685399 /nfs/dbraw/zinc/68/53/99/555685399.db2.gz ABFDSZMYIUNYGQ-GOSISDBHSA-N 0 0 450.560 4.786 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010327848 555686316 /nfs/dbraw/zinc/68/63/16/555686316.db2.gz GPWDSXWSWWLKNK-UHFFFAOYSA-N 0 0 472.994 4.587 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010329200 555686798 /nfs/dbraw/zinc/68/67/98/555686798.db2.gz VOCPNOGYMAYDNH-HXUWFJFHSA-N 0 0 452.576 4.676 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000010335097 555690127 /nfs/dbraw/zinc/69/01/27/555690127.db2.gz WGQNZQWRIZFFBT-UHFFFAOYSA-N 0 0 452.938 4.511 40 0 JJABRN COc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl ZINC000010337879 555692363 /nfs/dbraw/zinc/69/23/63/555692363.db2.gz ORMSLIHVYJKROV-UHFFFAOYSA-N 0 0 479.813 4.518 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000010338559 555692958 /nfs/dbraw/zinc/69/29/58/555692958.db2.gz 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ZINC000010364919 555697679 /nfs/dbraw/zinc/69/76/79/555697679.db2.gz OIKZNQTVRRVWPA-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN COc1cc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000010365903 555697827 /nfs/dbraw/zinc/69/78/27/555697827.db2.gz NGTQRSVZPBBUDL-UHFFFAOYSA-N 0 0 475.394 4.504 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl ZINC000010366286 555698165 /nfs/dbraw/zinc/69/81/65/555698165.db2.gz NUAPEHRBCJKRBU-UHFFFAOYSA-N 0 0 464.893 4.552 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000010367379 555698443 /nfs/dbraw/zinc/69/84/43/555698443.db2.gz YEULIGFPKWXYEY-INIZCTEOSA-N 0 0 474.966 4.934 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl ZINC000010367463 555698525 /nfs/dbraw/zinc/69/85/25/555698525.db2.gz LXXXXMHHPSUQSN-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000010368677 555698748 /nfs/dbraw/zinc/69/87/48/555698748.db2.gz 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ZINC000014274660 555777551 /nfs/dbraw/zinc/77/75/51/555777551.db2.gz XLNWFIXJUQGSOZ-UHFFFAOYSA-N 0 0 490.990 4.953 40 0 JJABRN COc1ccc(OC)c(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000014274813 555777909 /nfs/dbraw/zinc/77/79/09/555777909.db2.gz CNJPKWHOGQAGRH-UHFFFAOYSA-N 0 0 475.364 4.755 40 0 JJABRN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1Cl ZINC000014275915 555782286 /nfs/dbraw/zinc/78/22/86/555782286.db2.gz JALQFXQSEOYXTE-UHFFFAOYSA-N 0 0 499.132 4.873 40 0 JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1Br ZINC000014275928 555782321 /nfs/dbraw/zinc/78/23/21/555782321.db2.gz OILPYZJJPGIPMT-UHFFFAOYSA-N 0 0 476.165 4.876 40 0 JJABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000014276763 555784565 /nfs/dbraw/zinc/78/45/65/555784565.db2.gz KTIIGGZXSGQCRD-UHFFFAOYSA-N 0 0 497.020 4.785 40 0 JJABRN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000014276958 555784868 /nfs/dbraw/zinc/78/48/68/555784868.db2.gz LUHMTIQINFIKRG-IZZDOVSWSA-N 0 0 485.053 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ZINC000014291068 555792218 /nfs/dbraw/zinc/79/22/18/555792218.db2.gz BRGULFSNJLXIPX-UHFFFAOYSA-N 0 0 494.400 4.587 40 0 JJABRN CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1 ZINC000020528867 555793576 /nfs/dbraw/zinc/79/35/76/555793576.db2.gz DIBQFFSDIDSHEU-UHFFFAOYSA-N 0 0 458.002 4.615 40 0 JJABRN Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c1C ZINC000020529112 555794044 /nfs/dbraw/zinc/79/40/44/555794044.db2.gz JQTJLACHIIXIHN-UHFFFAOYSA-N 0 0 458.002 4.669 40 0 JJABRN OC(c1ccccc1)=C1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691801 555800578 /nfs/dbraw/zinc/80/05/78/555800578.db2.gz QUSHGXPSJCXDML-VIZSFHNOSA-N 0 0 472.488 4.748 40 0 JJABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000014397931 555803640 /nfs/dbraw/zinc/80/36/40/555803640.db2.gz GUKDKQPPRYWKJM-UHFFFAOYSA-N 0 0 456.951 4.609 40 0 JJABRN COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000014397995 555803653 /nfs/dbraw/zinc/80/36/53/555803653.db2.gz 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COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014413573 555813003 /nfs/dbraw/zinc/81/30/03/555813003.db2.gz LYIDBQIOXXSQGQ-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000014577047 555835389 /nfs/dbraw/zinc/83/53/89/555835389.db2.gz XKKZVNNTOFKGHX-RUZDIDTESA-N 0 0 483.033 4.955 40 0 JJABRN COc1ccccc1C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C ZINC000014607305 555836142 /nfs/dbraw/zinc/83/61/42/555836142.db2.gz BMXVYGKAWXDPKU-WZONZLPQSA-N 0 0 450.560 4.642 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000011859315 555838511 /nfs/dbraw/zinc/83/85/11/555838511.db2.gz KXBLFULCECQWAW-XPWALMASSA-N 0 0 493.357 4.817 40 0 JJABRN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4C[C@@H](C)CC[C@@H]4C)cc3N2)cc1OC ZINC000020601932 555842545 /nfs/dbraw/zinc/84/25/45/555842545.db2.gz RFDPGIGDVBPOOW-AQXBJYLJSA-N 0 0 466.504 4.821 40 0 JJABRN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)N1 ZINC000020602322 555843135 /nfs/dbraw/zinc/84/31/35/555843135.db2.gz REFPUEIFRXQLPG-MRRJBJDNSA-N 0 0 495.811 4.670 40 0 JJABRN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3C)cc2)CC1 ZINC000021579663 555852293 /nfs/dbraw/zinc/85/22/93/555852293.db2.gz SDHPBTHXTNSDQX-UHFFFAOYSA-N 0 0 463.965 4.872 40 0 JJABRN NC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)sc2c1CCCC2 ZINC000021595895 555854296 /nfs/dbraw/zinc/85/42/96/555854296.db2.gz RVLWWNMXJNTJFE-ACCUITESSA-N 0 0 451.573 4.512 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3O)nc2c1 ZINC000021596131 555854596 /nfs/dbraw/zinc/85/45/96/555854596.db2.gz GVNQQKLKYMHTHK-UHFFFAOYSA-N 0 0 475.555 4.894 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(OC4CCCCC4)n3)CC2)cc1 ZINC000022053107 555866629 /nfs/dbraw/zinc/86/66/29/555866629.db2.gz BEFGYUIUVZLWKT-OAQYLSRUSA-N 0 0 494.661 4.717 40 0 JJABRN CCCCn1nnnc1NCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000022109584 555876423 /nfs/dbraw/zinc/87/64/23/555876423.db2.gz SBDDCKXAVSQOMC-UHFFFAOYSA-N 0 0 460.376 4.826 40 0 JJABRN COc1cccc(CNn2c(=S)[nH]nc2-c2ccncc2)c1OCc1ccccc1Cl ZINC000022110649 555877874 /nfs/dbraw/zinc/87/78/74/555877874.db2.gz JVQGLLRLZRTNNG-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN COc1cccc(CNn2c(=S)[nH]nc2-c2ccncc2)c1OCc1ccc(Cl)cc1 ZINC000022110640 555877895 /nfs/dbraw/zinc/87/78/95/555877895.db2.gz YIGNFSBNYSOUAD-UHFFFAOYSA-N 0 0 453.955 4.987 40 0 JJABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000022162155 555882256 /nfs/dbraw/zinc/88/22/56/555882256.db2.gz KXURXXFDPXUODD-UHFFFAOYSA-N 0 0 467.319 4.805 40 0 JJABRN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000015228355 555888108 /nfs/dbraw/zinc/88/81/08/555888108.db2.gz UOEKKXYTCPUZDU-QFIPXVFZSA-N 0 0 496.357 4.713 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000015229731 555888991 /nfs/dbraw/zinc/88/89/91/555888991.db2.gz UHRNJLHPLQOLBR-UHFFFAOYSA-N 0 0 476.520 4.568 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)ccc21 ZINC000022230245 555889228 /nfs/dbraw/zinc/88/92/28/555889228.db2.gz QFJZONPQKMZJLL-RUZDIDTESA-N 0 0 491.613 4.923 40 0 JJABRN CC(C)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000022231063 555889367 /nfs/dbraw/zinc/88/93/67/555889367.db2.gz DGFUGAANXJCLFW-UHFFFAOYSA-N 0 0 452.576 4.794 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231585 555890263 /nfs/dbraw/zinc/89/02/63/555890263.db2.gz IXAYHHPGHPYMGT-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231625 555890266 /nfs/dbraw/zinc/89/02/66/555890266.db2.gz XQKWGOISOKAMLT-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)cc1 ZINC000022231676 555890544 /nfs/dbraw/zinc/89/05/44/555890544.db2.gz PNUCNNPWRCZLDA-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000022231680 555890594 /nfs/dbraw/zinc/89/05/94/555890594.db2.gz PFNGYJYZERIPIM-UHFFFAOYSA-N 0 0 492.519 4.998 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000022231942 555891110 /nfs/dbraw/zinc/89/11/10/555891110.db2.gz PJGVYNDTSOKDBT-AREMUKBSSA-N 0 0 478.614 4.534 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022231949 555891173 /nfs/dbraw/zinc/89/11/73/555891173.db2.gz OTRDNPCIPNUODW-HXUWFJFHSA-N 0 0 498.670 4.939 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232607 555891909 /nfs/dbraw/zinc/89/19/09/555891909.db2.gz BCEMTTGZERLORI-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000022232857 555892473 /nfs/dbraw/zinc/89/24/73/555892473.db2.gz SAUPWHXHUQWRHI-KRWDZBQOSA-N 0 0 490.984 4.702 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022232991 555892769 /nfs/dbraw/zinc/89/27/69/555892769.db2.gz QYXKOYRDTZAGMN-SFHVURJKSA-N 0 0 472.994 4.562 40 0 JJABRN Cc1cc(C)cc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000022233049 555893060 /nfs/dbraw/zinc/89/30/60/555893060.db2.gz CUAWLKJPOSTVPO-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc3ccccc32)cc1 ZINC000022233518 555893571 /nfs/dbraw/zinc/89/35/71/555893571.db2.gz ZOWVYTNUAMPKBU-UHFFFAOYSA-N 0 0 478.545 4.963 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233548 555893632 /nfs/dbraw/zinc/89/36/32/555893632.db2.gz YNGJNZJCRFJOIA-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000022248666 555899000 /nfs/dbraw/zinc/89/90/00/555899000.db2.gz VPVMUOPXLAYJRB-UHFFFAOYSA-N 0 0 465.786 4.695 40 0 JJABRN COc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022256157 555904099 /nfs/dbraw/zinc/90/40/99/555904099.db2.gz WBQAMKPXLYZBHF-JOCHJYFZSA-N 0 0 462.594 4.955 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCC1 ZINC000022256561 555904659 /nfs/dbraw/zinc/90/46/59/555904659.db2.gz SWPFEHABPGIRSH-UHFFFAOYSA-N 0 0 461.971 4.841 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1C ZINC000022268323 555907265 /nfs/dbraw/zinc/90/72/65/555907265.db2.gz WMTYIFCELJDYND-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(Cl)c2)cc1C ZINC000022268328 555907309 /nfs/dbraw/zinc/90/73/09/555907309.db2.gz CXJVETWIMUNJEM-QFIPXVFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cc(C)cc2C)cc1C ZINC000022268636 555907813 /nfs/dbraw/zinc/90/78/13/555907813.db2.gz XHCZSCQQMBLVAK-XMMPIXPASA-N 0 0 480.630 4.847 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(F)cccc2F)cc1Cl ZINC000022269591 555908591 /nfs/dbraw/zinc/90/85/91/555908591.db2.gz QBOLORFPWWXSME-HXUWFJFHSA-N 0 0 494.947 4.545 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1Cl ZINC000022269585 555908636 /nfs/dbraw/zinc/90/86/36/555908636.db2.gz ODGDOJHMEKGTPO-OAQYLSRUSA-N 0 0 494.947 4.545 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1 ZINC000015438982 555909035 /nfs/dbraw/zinc/90/90/35/555909035.db2.gz NQHWAPTWICZNPQ-UHFFFAOYSA-N 0 0 460.939 4.800 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000022271371 555909275 /nfs/dbraw/zinc/90/92/75/555909275.db2.gz AJWHEJAKARWJEG-RUZDIDTESA-N 0 0 466.603 4.737 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000022271490 555909531 /nfs/dbraw/zinc/90/95/31/555909531.db2.gz RRRJWROBFFXFNU-QFIPXVFZSA-N 0 0 493.412 4.920 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc(Br)c1 ZINC000022273322 555910061 /nfs/dbraw/zinc/91/00/61/555910061.db2.gz OFJCRPGJGUPRGN-UHFFFAOYSA-N 0 0 475.364 4.646 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022273670 555910422 /nfs/dbraw/zinc/91/04/22/555910422.db2.gz PFAMQDMHGYJKEN-UHFFFAOYSA-N 0 0 456.873 4.917 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(C)(=O)=O ZINC000022273566 555910423 /nfs/dbraw/zinc/91/04/23/555910423.db2.gz FYAJAFCZXMHDSC-UHFFFAOYSA-N 0 0 456.995 4.643 40 0 JJABRN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(OC)cc1Cl ZINC000015474707 555910555 /nfs/dbraw/zinc/91/05/55/555910555.db2.gz QMYHWVSDAWYULW-UHFFFAOYSA-N 0 0 488.993 4.550 40 0 JJABRN COc1ccc(OC)c(N(CC(=O)Nc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1 ZINC000022274538 555911244 /nfs/dbraw/zinc/91/12/44/555911244.db2.gz AAPVKSCXJUBSPS-UHFFFAOYSA-N 0 0 476.554 4.691 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)ccc21 ZINC000015566936 555915969 /nfs/dbraw/zinc/91/59/69/555915969.db2.gz PUNQPVSPICSXEO-UHFFFAOYSA-N 0 0 477.586 4.860 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000022278359 555916240 /nfs/dbraw/zinc/91/62/40/555916240.db2.gz TYKWESYHCRJINF-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000015585060 555916873 /nfs/dbraw/zinc/91/68/73/555916873.db2.gz ISJPIZRFPZLTHM-GOSISDBHSA-N 0 0 454.523 4.657 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000022281678 555917031 /nfs/dbraw/zinc/91/70/31/555917031.db2.gz VHVOXQOOLWCGGU-XMMPIXPASA-N 0 0 466.603 4.775 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000022304954 555919119 /nfs/dbraw/zinc/91/91/19/555919119.db2.gz UZQIVRBOEMBULL-HSZRJFAPSA-N 0 0 499.430 4.838 40 0 JJABRN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000022304792 555919139 /nfs/dbraw/zinc/91/91/39/555919139.db2.gz KXACOWNGKOAVLV-QHCPKHFHSA-N 0 0 499.430 4.838 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000022306339 555919469 /nfs/dbraw/zinc/91/94/69/555919469.db2.gz MZHWRXILRUKYMD-OAQYLSRUSA-N 0 0 466.603 4.775 40 0 JJABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1Cl ZINC000015656610 555922223 /nfs/dbraw/zinc/92/22/23/555922223.db2.gz AZLNDEZQSFGULL-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022347145 555923877 /nfs/dbraw/zinc/92/38/77/555923877.db2.gz OSAZOGUJMUKHSH-OAQYLSRUSA-N 0 0 450.604 4.939 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 ZINC000022361589 555925668 /nfs/dbraw/zinc/92/56/68/555925668.db2.gz ABWUFKJKONSQMJ-QHCPKHFHSA-N 0 0 472.994 4.811 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)c2ccc(F)cc2)cc1 ZINC000022370475 555926610 /nfs/dbraw/zinc/92/66/10/555926610.db2.gz YETGBYDNQVUXNU-VWLOTQADSA-N 0 0 482.577 4.614 40 0 JJABRN COc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022533196 555932700 /nfs/dbraw/zinc/93/27/00/555932700.db2.gz TXKFBQHQHRKTMJ-UHFFFAOYSA-N 0 0 452.466 4.667 40 0 JJABRN O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000015675086 555933333 /nfs/dbraw/zinc/93/33/33/555933333.db2.gz SHAAWTZKPDDNHH-QAPCUYQASA-N 0 0 471.838 4.659 40 0 biogenic,in-vitro JJABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674177 555933378 /nfs/dbraw/zinc/93/33/78/555933378.db2.gz PJVIXRSUHYVIEG-WBVHZDCISA-N 0 0 473.373 4.962 40 0 biogenic,in-vitro JJABRN O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675772 555934544 /nfs/dbraw/zinc/93/45/44/555934544.db2.gz UXAYNZGQYBFLMO-SFHVURJKSA-N 0 0 460.460 4.620 40 0 biogenic,in-vitro JJABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl ZINC000022563758 555934830 /nfs/dbraw/zinc/93/48/30/555934830.db2.gz YCHLRCDPGGVXAS-UHFFFAOYSA-N 0 0 456.999 4.807 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2s1 ZINC000022563356 555934868 /nfs/dbraw/zinc/93/48/68/555934868.db2.gz GAOWUDOZSDUDNX-UHFFFAOYSA-N 0 0 456.593 4.949 40 0 JJABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015675843 555934964 /nfs/dbraw/zinc/93/49/64/555934964.db2.gz YFEMQYNFZSRABB-IBGZPJMESA-N 0 0 484.438 4.998 40 0 biogenic,in-vitro JJABRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1Cl ZINC000022565890 555936213 /nfs/dbraw/zinc/93/62/13/555936213.db2.gz FISQRZYFUZGNKS-UHFFFAOYSA-N 0 0 458.752 4.997 40 0 JJABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)c1 ZINC000022567888 555936589 /nfs/dbraw/zinc/93/65/89/555936589.db2.gz JQGPBUUZLGMSGC-UHFFFAOYSA-N 0 0 460.486 4.546 40 0 JJABRN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1cc(OC)cc(OC)c1 ZINC000022574209 555938079 /nfs/dbraw/zinc/93/80/79/555938079.db2.gz GWZSIPJMJOOGBL-SANMLTNESA-N 0 0 464.587 4.741 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000022579871 555939692 /nfs/dbraw/zinc/93/96/92/555939692.db2.gz VHHUHIQAMOVORS-UHFFFAOYSA-N 0 0 467.978 4.942 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)cc1 ZINC000022713883 555946812 /nfs/dbraw/zinc/94/68/12/555946812.db2.gz HKQFKUIIUIUWLM-UHFFFAOYSA-N 0 0 477.586 4.769 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000022713851 555946855 /nfs/dbraw/zinc/94/68/55/555946855.db2.gz QRJPOKONXCQBAH-UHFFFAOYSA-N 0 0 477.586 4.767 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022718477 555948346 /nfs/dbraw/zinc/94/83/46/555948346.db2.gz WSPYLDPRZXFLCT-UHFFFAOYSA-N 0 0 481.533 4.776 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cc(Cl)ccc2OC)cc1 ZINC000022741351 555949181 /nfs/dbraw/zinc/94/91/81/555949181.db2.gz SIJDJIFACSMRPA-UHFFFAOYSA-N 0 0 483.977 4.642 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccccc2I)cc1 ZINC000022743612 555950177 /nfs/dbraw/zinc/95/01/77/555950177.db2.gz SZMGYWYKUSFOSR-UHFFFAOYSA-N 0 0 486.309 4.710 40 0 JJABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c1 ZINC000022744664 555950403 /nfs/dbraw/zinc/95/04/03/555950403.db2.gz RMJXZBOGRMKUIN-UHFFFAOYSA-N 0 0 486.641 4.701 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)cc4)cc3n2)cc1 ZINC000022746728 555951421 /nfs/dbraw/zinc/95/14/21/555951421.db2.gz BAEJKEHRZNTGHK-UHFFFAOYSA-N 0 0 488.617 4.711 40 0 JJABRN COC(=O)Cc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022755094 555953733 /nfs/dbraw/zinc/95/37/33/555953733.db2.gz RRFVIDIMXRSOTF-UHFFFAOYSA-N 0 0 495.595 4.784 40 0 JJABRN Clc1ccccc1CN1CCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000022930090 555983014 /nfs/dbraw/zinc/98/30/14/555983014.db2.gz GGTXFVOLHRTAFT-XMMPIXPASA-N 0 0 479.053 4.538 40 0 JJABRN Clc1ccccc1CN1CCN([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000022930087 555983132 /nfs/dbraw/zinc/98/31/32/555983132.db2.gz GGTXFVOLHRTAFT-DEOSSOPVSA-N 0 0 479.053 4.538 40 0 JJABRN Cc1ccc(-c2noc(CSc3nnc4n3c3ccccc3c(=O)n4Cc3ccccc3)n2)cc1F ZINC000012548784 556027906 /nfs/dbraw/zinc/02/79/06/556027906.db2.gz VHIYYEZTSYFZHP-UHFFFAOYSA-N 0 0 498.543 4.882 40 0 JJABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1cccc(Cl)c1Cl ZINC000023499015 556075681 /nfs/dbraw/zinc/07/56/81/556075681.db2.gz IRFJPMYUVGAHOI-UHFFFAOYSA-N 0 0 483.307 4.585 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000023685087 556083211 /nfs/dbraw/zinc/08/32/11/556083211.db2.gz OBQUKWZNNUGWKN-UHFFFAOYSA-N 0 0 472.950 4.512 40 0 JJABRN COc1ccccc1Cn1c2nnc(S[C@H](C)C(=O)c3ccc(C)cc3)n2c2ccccc2c1=O ZINC000012591501 556087545 /nfs/dbraw/zinc/08/75/45/556087545.db2.gz ZPZCVABVJHZTQD-GOSISDBHSA-N 0 0 484.581 4.773 40 0 JJABRN COCCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000024227740 556127649 /nfs/dbraw/zinc/12/76/49/556127649.db2.gz XOEICVKYSQJHDJ-UHFFFAOYSA-N 0 0 470.904 4.995 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016162350 556127801 /nfs/dbraw/zinc/12/78/01/556127801.db2.gz UCKUCNKRYJEKME-UHFFFAOYSA-N 0 0 452.576 4.938 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016226805 556130217 /nfs/dbraw/zinc/13/02/17/556130217.db2.gz MFZAWHRCBMTNHD-UHFFFAOYSA-N 0 0 456.774 4.848 40 0 JJABRN C=CCOc1c(Br)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1Br ZINC000016267753 556131616 /nfs/dbraw/zinc/13/16/16/556131616.db2.gz APZSQOLMIPZOQH-UHFFFAOYSA-N 0 0 494.187 4.944 40 0 JJABRN Cc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1C ZINC000016312017 556134658 /nfs/dbraw/zinc/13/46/58/556134658.db2.gz NTPIJYUVYMNKGE-UHFFFAOYSA-N 0 0 452.620 4.584 40 0 JJABRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3N3CCOCC3)o2)cc1Cl ZINC000016346887 556136007 /nfs/dbraw/zinc/13/60/07/556136007.db2.gz JOWSRCJVGKZHBF-UHFFFAOYSA-N 0 0 455.967 4.872 40 0 JJABRN O=C(Nc1cc(Cl)ccc1C(=O)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606535 556138849 /nfs/dbraw/zinc/13/88/49/556138849.db2.gz SPXAFIGTQAHVKT-QGZVFWFLSA-N 0 0 489.018 4.672 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000016636659 556148674 /nfs/dbraw/zinc/14/86/74/556148674.db2.gz NNLBRIWAOJRCBB-UHFFFAOYSA-N 0 0 462.615 4.700 40 0 JJABRN CCn1c(SCC(=O)Nc2ccccc2I)nnc1-c1cccc(C)c1 ZINC000016959523 556189591 /nfs/dbraw/zinc/18/95/91/556189591.db2.gz XYBFCDWXVDGIKE-UHFFFAOYSA-N 0 0 478.359 4.609 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1c(C)cccc1C ZINC000013023902 556213525 /nfs/dbraw/zinc/21/35/25/556213525.db2.gz GCDVJQJHSQLTHC-SANMLTNESA-N 0 0 484.604 4.522 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013024226 556214297 /nfs/dbraw/zinc/21/42/97/556214297.db2.gz BMLJGQIAWUSMPP-RUZDIDTESA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013024660 556214601 /nfs/dbraw/zinc/21/46/01/556214601.db2.gz PKTASQNHOXTQGT-HHHXNRCGSA-N 0 0 499.615 4.828 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013024504 556214605 /nfs/dbraw/zinc/21/46/05/556214605.db2.gz XDHAVVFJMJADCL-HHHXNRCGSA-N 0 0 499.615 4.515 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013024717 556214808 /nfs/dbraw/zinc/21/48/08/556214808.db2.gz OOUMOXLZHVIYBW-VWLOTQADSA-N 0 0 491.542 4.789 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013024909 556215188 /nfs/dbraw/zinc/21/51/88/556215188.db2.gz BHJTYHMZUVNSHT-AREMUKBSSA-N 0 0 485.588 4.519 40 0 JJABRN COc1ccc(OC)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 ZINC000013025772 556216577 /nfs/dbraw/zinc/21/65/77/556216577.db2.gz CTXACWQQVUUGIL-XMMPIXPASA-N 0 0 466.509 4.883 40 0 JJABRN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000017086317 556216587 /nfs/dbraw/zinc/21/65/87/556216587.db2.gz HUHYNEJAAACTJI-AREMUKBSSA-N 0 0 497.555 4.802 40 0 JJABRN CC(=O)c1cc2c(cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F)OCO2 ZINC000013025745 556216691 /nfs/dbraw/zinc/21/66/91/556216691.db2.gz WFNGDWBJZJKCGZ-RUZDIDTESA-N 0 0 492.503 4.797 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)c1OC ZINC000013025942 556217258 /nfs/dbraw/zinc/21/72/58/556217258.db2.gz FKEONDPBRKZKDT-JOCHJYFZSA-N 0 0 468.575 4.801 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000013026314 556218167 /nfs/dbraw/zinc/21/81/67/556218167.db2.gz USFBYHVRYWQYBL-AREMUKBSSA-N 0 0 492.572 4.748 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1OC ZINC000013026320 556218193 /nfs/dbraw/zinc/21/81/93/556218193.db2.gz XLQJXJQRNXYCNK-VWLOTQADSA-N 0 0 480.536 4.878 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2OC)cc1OC ZINC000013026430 556218407 /nfs/dbraw/zinc/21/84/07/556218407.db2.gz NEWWYITYGAOQPV-VWLOTQADSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1OC ZINC000013026367 556218421 /nfs/dbraw/zinc/21/84/21/556218421.db2.gz GSQQRVGTUJFUQG-DEOSSOPVSA-N 0 0 466.509 4.883 40 0 JJABRN COCCN(C(=O)c1nsc(Cl)c1Cl)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013027310 556220394 /nfs/dbraw/zinc/22/03/94/556220394.db2.gz CXSNWYHJJNADOG-SFHVURJKSA-N 0 0 470.422 4.647 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000013028486 556222090 /nfs/dbraw/zinc/22/20/90/556222090.db2.gz XXHDQOMWMCAORT-SANMLTNESA-N 0 0 487.579 4.564 40 0 JJABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013028544 556222461 /nfs/dbraw/zinc/22/24/61/556222461.db2.gz IVCCTYVCCDEXPG-MUUNZHRXSA-N 0 0 481.600 4.569 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2)c1 ZINC000013028631 556222477 /nfs/dbraw/zinc/22/24/77/556222477.db2.gz VPJHPGWHQCAVQT-NDEPHWFRSA-N 0 0 497.599 4.663 40 0 JJABRN CCc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000013029013 556223360 /nfs/dbraw/zinc/22/33/60/556223360.db2.gz IZOSXEHWVIKTIK-HHHXNRCGSA-N 0 0 499.615 4.692 40 0 JJABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)cc1 ZINC000013029010 556223365 /nfs/dbraw/zinc/22/33/65/556223365.db2.gz FJEDHPHCGJRYLL-MHZLTWQESA-N 0 0 499.615 4.692 40 0 JJABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccccc2C)cc1 ZINC000013029536 556223936 /nfs/dbraw/zinc/22/39/36/556223936.db2.gz MAZMPNJJRSOFEE-NDEPHWFRSA-N 0 0 497.599 4.582 40 0 JJABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccs2)cc1 ZINC000013031750 556228942 /nfs/dbraw/zinc/22/89/42/556228942.db2.gz DTBPMMHKNDLBSL-RUZDIDTESA-N 0 0 475.618 4.738 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1ccc(O)cc1 ZINC000013032384 556231256 /nfs/dbraw/zinc/23/12/56/556231256.db2.gz DOLXDMZMINDXDB-HHHXNRCGSA-N 0 0 499.615 4.779 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000013032487 556231442 /nfs/dbraw/zinc/23/14/42/556231442.db2.gz YVMHIWBPWMAMJQ-HSZRJFAPSA-N 0 0 497.958 4.896 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 ZINC000013032495 556231461 /nfs/dbraw/zinc/23/14/61/556231461.db2.gz OCNLVQQNSKJPHF-XMMPIXPASA-N 0 0 477.540 4.551 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032591 556231719 /nfs/dbraw/zinc/23/17/19/556231719.db2.gz SISVAAWPCWXQSR-RUZDIDTESA-N 0 0 489.645 4.876 40 0 JJABRN COc1ccc([C@@H]2S/C(=C/c3cccc(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 ZINC000017219310 556242454 /nfs/dbraw/zinc/24/24/54/556242454.db2.gz ATHLWXUWDDTNDL-WALVNQSHSA-N 0 0 460.555 4.593 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1C(=O)N1CCCC1 ZINC000026114702 556245475 /nfs/dbraw/zinc/24/54/75/556245475.db2.gz SBHKWUVGEAUIHW-UHFFFAOYSA-N 0 0 485.096 4.510 40 0 JJABRN CSc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCC(C)CC1 ZINC000026118836 556248225 /nfs/dbraw/zinc/24/82/25/556248225.db2.gz HWSPTWMZUIVWTC-UHFFFAOYSA-N 0 0 462.681 4.528 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000026119875 556248448 /nfs/dbraw/zinc/24/84/48/556248448.db2.gz GUOWYXWDAYOVPS-UHFFFAOYSA-N 0 0 478.705 4.636 40 0 JJABRN Cc1nn(C[C@H](O)COc2ccc3cc(Br)ccc3c2)c(C)c1Br ZINC000026571230 556257124 /nfs/dbraw/zinc/25/71/24/556257124.db2.gz GONJNJHCNPMZKB-INIZCTEOSA-N 0 0 454.162 4.618 40 0 JJABRN CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063974 556261585 /nfs/dbraw/zinc/26/15/85/556261585.db2.gz RADLMEHAMYGSMF-SANMLTNESA-N 0 0 470.621 4.962 40 0 JJABRN CC[C@H](c1nnnn1C1CCCC1)N(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013064049 556261593 /nfs/dbraw/zinc/26/15/93/556261593.db2.gz PWGDAPQOCRIFNF-AREMUKBSSA-N 0 0 486.620 4.834 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064270 556261863 /nfs/dbraw/zinc/26/18/63/556261863.db2.gz HHUIGLGWLWAENS-DEOSSOPVSA-N 0 0 464.614 4.924 40 0 JJABRN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)ccc1O ZINC000017746517 556265828 /nfs/dbraw/zinc/26/58/28/556265828.db2.gz DATOMUUNBYGINO-FSSWDIPSSA-N 0 0 485.323 4.759 40 0 JJABRN COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017953547 556272454 /nfs/dbraw/zinc/27/24/54/556272454.db2.gz BWJOUYSEFHXRDJ-GSDHBNRESA-N 0 0 466.493 4.605 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1Br ZINC000018008621 556275821 /nfs/dbraw/zinc/27/58/21/556275821.db2.gz YRLAJCYNFMQPET-VJBWXMMDSA-N 0 0 493.357 4.817 40 0 JJABRN CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CCC4CCCC4)CC2)[nH]c3=O)cc1 ZINC000013083130 556279157 /nfs/dbraw/zinc/27/91/57/556279157.db2.gz BHNRRPNZMPWIDJ-UHFFFAOYSA-N 0 0 490.652 4.949 40 0 JJABRN O=C1[C@@H]2[C@H](c3ccc(OC(F)(F)F)cc3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000018045144 556279437 /nfs/dbraw/zinc/27/94/37/556279437.db2.gz AFNZTVBMNIRERZ-FSSWDIPSSA-N 0 0 468.431 4.632 40 0 JJABRN CCCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)C1 ZINC000013083600 556280279 /nfs/dbraw/zinc/28/02/79/556280279.db2.gz QMDLPTDAMJTFSF-OAHLLOKOSA-N 0 0 491.423 4.958 40 0 JJABRN O=C(CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12)N1CCCc2ccccc21 ZINC000013084075 556281410 /nfs/dbraw/zinc/28/14/10/556281410.db2.gz HLBVJNITTZVQPC-UHFFFAOYSA-N 0 0 471.561 4.943 40 0 JJABRN CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013085935 556285231 /nfs/dbraw/zinc/28/52/31/556285231.db2.gz RATPBAXHMBHMNI-UHFFFAOYSA-N 0 0 456.550 4.643 40 0 JJABRN COc1cc2c(cc1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)N(C(=O)c1ccccc1F)CC2 ZINC000013086027 556285569 /nfs/dbraw/zinc/28/55/69/556285569.db2.gz PWLHKIWVDGLCGL-SANMLTNESA-N 0 0 472.516 4.781 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018098374 556287476 /nfs/dbraw/zinc/28/74/76/556287476.db2.gz PIXHGMNZUYLXTO-PVHODMMVSA-N 0 0 480.520 4.908 40 0 JJABRN Cc1ccc(CNC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1 ZINC000027529485 556290754 /nfs/dbraw/zinc/29/07/54/556290754.db2.gz UXWQSAUXTZXVOD-UHFFFAOYSA-N 0 0 451.114 4.556 40 0 JJABRN CCCCSc1nc2n(n1)[C@@H](c1cc(Br)ccc1OCC)C(C(=O)OC)C(C)=N2 ZINC000027563978 556297566 /nfs/dbraw/zinc/29/75/66/556297566.db2.gz NOCSPHYISOKGOP-KRWDZBQOSA-N 0 0 481.416 4.793 40 0 JJABRN CC(=O)C[C@H](NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000027904766 556309474 /nfs/dbraw/zinc/30/94/74/556309474.db2.gz TVIHJZQKEIKYOI-SANMLTNESA-N 0 0 457.643 4.989 40 0 JJABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2N1C(=O)c1ccccc1 ZINC000028206915 556317680 /nfs/dbraw/zinc/31/76/80/556317680.db2.gz SVSDTSCDOFGSRC-OAHLLOKOSA-N 0 0 471.376 4.841 40 0 JJABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC ZINC000018620240 556323186 /nfs/dbraw/zinc/32/31/86/556323186.db2.gz RSZNQDUVJZBHIJ-UHFFFAOYSA-N 0 0 486.619 4.753 40 0 JJABRN Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019234211 556336414 /nfs/dbraw/zinc/33/64/14/556336414.db2.gz SYESOGYPFCTCOB-HHHXNRCGSA-N 0 0 497.647 4.548 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000029472991 556352274 /nfs/dbraw/zinc/35/22/74/556352274.db2.gz DCSFSKQMJMHDNP-NSHDSACASA-N 0 0 465.761 4.825 40 0 JJABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000019681596 556359819 /nfs/dbraw/zinc/35/98/19/556359819.db2.gz UVHQOYXDWJTIPY-UHFFFAOYSA-N 0 0 456.974 4.685 40 0 JJABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000030753439 556372267 /nfs/dbraw/zinc/37/22/67/556372267.db2.gz HMKQXEGKOMQQIW-GOSISDBHSA-N 0 0 456.539 4.958 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(Cl)c1 ZINC000030757264 556373438 /nfs/dbraw/zinc/37/34/38/556373438.db2.gz AKILZVDITRXVJT-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN COc1ccc(N(CCCC(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000030849386 556376849 /nfs/dbraw/zinc/37/68/49/556376849.db2.gz QCXDJSXUZSHQGC-OAQYLSRUSA-N 0 0 467.031 4.798 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000030850407 556377245 /nfs/dbraw/zinc/37/72/45/556377245.db2.gz OEMLDYZPGSAJKY-UHFFFAOYSA-N 0 0 488.613 4.837 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000030851152 556377586 /nfs/dbraw/zinc/37/75/86/556377586.db2.gz WGCLTMYYTBAKHR-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC ZINC000030851959 556377820 /nfs/dbraw/zinc/37/78/20/556377820.db2.gz MBZKPQGATMJDDN-RBUKOAKNSA-N 0 0 498.601 4.528 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1OC ZINC000030851954 556377895 /nfs/dbraw/zinc/37/78/95/556377895.db2.gz MBZKPQGATMJDDN-RTBURBONSA-N 0 0 498.601 4.528 40 0 JJABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000030854834 556379400 /nfs/dbraw/zinc/37/94/00/556379400.db2.gz SCYRAAPDCQTCTE-UHFFFAOYSA-N 0 0 471.966 4.531 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccccc1 ZINC000030861880 556381879 /nfs/dbraw/zinc/38/18/79/556381879.db2.gz NJMJQCLRNFGSKM-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC ZINC000019816554 556383050 /nfs/dbraw/zinc/38/30/50/556383050.db2.gz XXJKDKHRJLGKSG-GOSISDBHSA-N 0 0 460.559 4.655 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1OC ZINC000019816572 556383064 /nfs/dbraw/zinc/38/30/64/556383064.db2.gz FIFQWBVUHBQQOU-MRXNPFEDSA-N 0 0 480.977 5.000 40 0 JJABRN Cc1nccn1-c1ccccc1CNC(=O)COc1ccc2ccccc2c1Br ZINC000030865948 556383063 /nfs/dbraw/zinc/38/30/63/556383063.db2.gz VLKGNCWKTBIVGH-UHFFFAOYSA-N 0 0 450.336 4.792 40 0 JJABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1OC ZINC000019816552 556383111 /nfs/dbraw/zinc/38/31/11/556383111.db2.gz XXJKDKHRJLGKSG-SFHVURJKSA-N 0 0 460.559 4.655 40 0 JJABRN COc1cc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(C)cc5)nc4nc3C2)cc(OC)c1OC ZINC000019816690 556383495 /nfs/dbraw/zinc/38/34/95/556383495.db2.gz JYRLRQCBMYQVHC-KRWDZBQOSA-N 0 0 490.585 4.664 40 0 JJABRN COc1ccccc1CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000030868365 556384171 /nfs/dbraw/zinc/38/41/71/556384171.db2.gz AMAQDGGPCCIMAT-UHFFFAOYSA-N 0 0 472.994 4.820 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 ZINC000019820479 556389934 /nfs/dbraw/zinc/38/99/34/556389934.db2.gz FIRZGVUTXAEXHF-DNQXCXABSA-N 0 0 457.505 4.799 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000019820587 556390259 /nfs/dbraw/zinc/39/02/59/556390259.db2.gz RHJBWONZJHKWGP-RPBOFIJWSA-N 0 0 453.542 4.703 40 0 JJABRN COc1ccc(C2=NN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101048 556416459 /nfs/dbraw/zinc/41/64/59/556416459.db2.gz DDHITPRZOKQUQI-WLRWDXFRSA-N 0 0 477.266 4.657 40 0 JJABRN Cc1ccc(C2=NN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101171 556416722 /nfs/dbraw/zinc/41/67/22/556416722.db2.gz CNDMHUYZWCZUEM-HXPMCKFVSA-N 0 0 461.267 4.957 40 0 JJABRN Cc1cc(I)cnc1NC(=O)c1cc(Br)ccc1Cl ZINC000032125088 556428623 /nfs/dbraw/zinc/42/86/23/556428623.db2.gz BCPVRTGFMDOMDF-UHFFFAOYSA-N 0 0 451.489 4.663 40 0 JJABRN Cc1cc(I)cnc1NC(=O)c1cc(I)ccc1Cl ZINC000032125404 556429776 /nfs/dbraw/zinc/42/97/76/556429776.db2.gz LANQQKHNKLXRQU-UHFFFAOYSA-N 0 0 498.489 4.505 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000032126295 556429947 /nfs/dbraw/zinc/42/99/47/556429947.db2.gz LVKOFEAGCCFGLB-UHFFFAOYSA-N 0 0 451.548 4.965 40 0 JJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 ZINC000032126515 556430557 /nfs/dbraw/zinc/43/05/57/556430557.db2.gz KKWBGUJNWKSIOH-UHFFFAOYSA-N 0 0 480.619 4.775 40 0 JJABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Cl)ccc1Cl ZINC000032127238 556431681 /nfs/dbraw/zinc/43/16/81/556431681.db2.gz OVLFMAYGAGCHHY-UHFFFAOYSA-N 0 0 464.330 4.974 40 0 JJABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000032127969 556432760 /nfs/dbraw/zinc/43/27/60/556432760.db2.gz HMJDYPROFBNTOV-UHFFFAOYSA-N 0 0 464.791 4.659 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508706 556443506 /nfs/dbraw/zinc/44/35/06/556443506.db2.gz YQWNKSAOGPCCHD-ROUUACIJSA-N 0 0 475.850 4.917 40 0 JJABRN Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(Br)cc1 ZINC000032604816 556450467 /nfs/dbraw/zinc/45/04/67/556450467.db2.gz JBUYJNACXNCNOP-UHFFFAOYSA-N 0 0 482.201 4.738 40 0 JJABRN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032639726 556459161 /nfs/dbraw/zinc/45/91/61/556459161.db2.gz VJNAMERQVQBDDJ-AEFFLSMTSA-N 0 0 490.956 4.642 40 0 JJABRN COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000032639727 556459224 /nfs/dbraw/zinc/45/92/24/556459224.db2.gz VJNAMERQVQBDDJ-WMZOPIPTSA-N 0 0 490.956 4.642 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032640499 556462885 /nfs/dbraw/zinc/46/28/85/556462885.db2.gz XCECXIJMPAWQQL-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1Cl)N2c1cc(Cl)cc(Cl)c1 ZINC000032640500 556462888 /nfs/dbraw/zinc/46/28/88/556462888.db2.gz XCECXIJMPAWQQL-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN Cc1ccc(C)c(N2C(SCc3ccc(Cl)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640523 556463154 /nfs/dbraw/zinc/46/31/54/556463154.db2.gz UJTCGLHXCSJNIT-IEBWSBKVSA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCCOc1ccccc1)N2c1cc(C(F)(F)F)ccc1Cl ZINC000032640624 556463413 /nfs/dbraw/zinc/46/34/13/556463413.db2.gz QEUJWJADJIWFLR-AEFFLSMTSA-N 0 0 490.956 4.513 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccccc3)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032640565 556463482 /nfs/dbraw/zinc/46/34/82/556463482.db2.gz LYXCTUDMRBMBPQ-DOTOQJQBSA-N 0 0 460.930 4.634 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000032640995 556464859 /nfs/dbraw/zinc/46/48/59/556464859.db2.gz XJQSGDPFBZUPED-IAGOWNOFSA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640936 556464947 /nfs/dbraw/zinc/46/49/47/556464947.db2.gz KZEHSDYJKJMDPD-DLBZAZTESA-N 0 0 489.819 4.517 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccccc3)sc2=N1 ZINC000032665869 556466503 /nfs/dbraw/zinc/46/65/03/556466503.db2.gz WJYFSKZXGBNLDN-KZVLXBEFSA-N 0 0 485.996 4.527 40 0 JJABRN COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000032752489 556485422 /nfs/dbraw/zinc/48/54/22/556485422.db2.gz HOWZDOYCALHUNQ-QGOAFFKASA-N 0 0 461.905 4.912 40 0 JJABRN C[C@@]1(O)CCN(Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290322 560029794 /nfs/dbraw/zinc/02/97/94/560029794.db2.gz XPKQASJXAPDIQN-KYPHJKQUSA-N 0 0 465.619 4.776 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000067898926 560049621 /nfs/dbraw/zinc/04/96/21/560049621.db2.gz APMWSQYKPBFBJW-RBZUNBKTSA-N 0 0 494.651 4.629 40 0 biogenic,in-vitro JJABRN CC[C@H](c1nnnn1C1CCCCC1)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000008582572 562939716 /nfs/dbraw/zinc/93/97/16/562939716.db2.gz MQBHBJLOQVCJKS-XMMPIXPASA-N 0 0 476.581 4.775 40 0 JJABRN COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008685845 562952669 /nfs/dbraw/zinc/95/26/69/562952669.db2.gz HOCHHUWWDQZSAE-UHFFFAOYSA-N 0 0 463.515 4.974 40 0 JJABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000008687017 562953181 /nfs/dbraw/zinc/95/31/81/562953181.db2.gz IXDXYVODJZPWIE-XMMPIXPASA-N 0 0 468.598 4.695 40 0 aggregator JJABRN CSc1nnc2c(n1)O[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccc(Br)cc1-2 ZINC000008452740 569591071 /nfs/dbraw/zinc/59/10/71/569591071.db2.gz DFKSOUINPFIVSA-MRXNPFEDSA-N 0 0 479.743 4.908 40 0 JJABRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000008691728 569592988 /nfs/dbraw/zinc/59/29/88/569592988.db2.gz LOMUUFFBUPDDFP-UWDQQESISA-N 0 0 457.954 4.687 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000057316259 569597536 /nfs/dbraw/zinc/59/75/36/569597536.db2.gz UYFGOGRGUREDRK-UHFFFAOYSA-N 0 0 477.402 4.849 40 0 JJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(CC)nnc4s3)c2)cc1 ZINC000057316356 569597644 /nfs/dbraw/zinc/59/76/44/569597644.db2.gz KNQALMGQMPECSJ-UHFFFAOYSA-N 0 0 480.619 4.721 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 ZINC000057316433 569597780 /nfs/dbraw/zinc/59/77/80/569597780.db2.gz GEZNQCGHUWIIOY-UHFFFAOYSA-N 0 0 464.620 4.840 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000057316481 569597874 /nfs/dbraw/zinc/59/78/74/569597874.db2.gz MUWZOPWEMDGOFG-AWNIVKPZSA-N 0 0 485.053 4.561 40 0 JJABRN CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 ZINC000057316697 569598026 /nfs/dbraw/zinc/59/80/26/569598026.db2.gz QANPFBIADGXNCM-UHFFFAOYSA-N 0 0 489.922 4.521 40 0 JJABRN CCCOc1cccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 ZINC000057316692 569598046 /nfs/dbraw/zinc/59/80/46/569598046.db2.gz OAGNVZMODQIYKH-UHFFFAOYSA-N 0 0 489.922 4.522 40 0 JJABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 ZINC000057316828 569598127 /nfs/dbraw/zinc/59/81/27/569598127.db2.gz RHSQLCRTOANVFT-UHFFFAOYSA-N 0 0 451.611 4.831 40 0 JJABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 ZINC000057316863 569598140 /nfs/dbraw/zinc/59/81/40/569598140.db2.gz PFITWGBWKZUXPE-HXUWFJFHSA-N 0 0 451.611 4.912 40 0 JJABRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4cc(Br)ccc4OC)c3)nn12 ZINC000057316965 569598222 /nfs/dbraw/zinc/59/82/22/569598222.db2.gz UZXVJRURPVLWSB-JXMROGBWSA-N 0 0 484.379 4.838 40 0 JJABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1 ZINC000057317131 569598346 /nfs/dbraw/zinc/59/83/46/569598346.db2.gz XZFUZUYSNDYLCY-OAQYLSRUSA-N 0 0 451.611 4.912 40 0 JJABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)CC2)cc1 ZINC000057317198 569598443 /nfs/dbraw/zinc/59/84/43/569598443.db2.gz NUADZBGAGZBFHE-UHFFFAOYSA-N 0 0 493.991 4.637 40 0 JJABRN O=C(c1ccccc1Br)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317248 569598455 /nfs/dbraw/zinc/59/84/55/569598455.db2.gz HCNDKISOTHTBQU-UHFFFAOYSA-N 0 0 451.645 4.621 40 0 JJABRN Cc1cc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)ccc1Cl ZINC000057317266 569598579 /nfs/dbraw/zinc/59/85/79/569598579.db2.gz GNAHVLHZWIUTCY-UHFFFAOYSA-N 0 0 451.247 4.586 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317291 569598622 /nfs/dbraw/zinc/59/86/22/569598622.db2.gz RUYAGZUZHCBIRK-UHFFFAOYSA-N 0 0 495.698 4.938 40 0 JJABRN O=C(CSc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1)N1CCc2ccccc21 ZINC000059417609 569602769 /nfs/dbraw/zinc/60/27/69/569602769.db2.gz DKACNTMIGODWIL-UHFFFAOYSA-N 0 0 481.624 4.779 40 0 JJABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 ZINC000059435647 569603766 /nfs/dbraw/zinc/60/37/66/569603766.db2.gz QPPUAYNTZYFHSZ-UHFFFAOYSA-N 0 0 493.810 4.932 40 0 JJABRN COc1ccc2[nH]c(SCC(=O)Nc3cc(Br)ccc3Br)nc2c1 ZINC000059434875 569603775 /nfs/dbraw/zinc/60/37/75/569603775.db2.gz IMSNNIOWKRMJJP-UHFFFAOYSA-N 0 0 471.174 4.827 40 0 JJABRN COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000059444121 569604024 /nfs/dbraw/zinc/60/40/24/569604024.db2.gz KZYGQEYCTQGCBX-UHFFFAOYSA-N 0 0 493.412 4.874 40 0 JJABRN COc1ccc(OC)c(C(=O)Cc2cc3cc(Br)cc(Br)c3oc2=O)c1 ZINC000059474324 569604426 /nfs/dbraw/zinc/60/44/26/569604426.db2.gz UQTPAUBWACDMHM-UHFFFAOYSA-N 0 0 482.124 4.761 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000059475241 569604772 /nfs/dbraw/zinc/60/47/72/569604772.db2.gz YZKJCBZFXSZSAX-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000059490174 569605995 /nfs/dbraw/zinc/60/59/95/569605995.db2.gz LMJZMSWLAYIFMR-UHFFFAOYSA-N 0 0 489.391 4.600 40 0 JJABRN CN1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Br)nc3c2)CC1 ZINC000059843038 569607874 /nfs/dbraw/zinc/60/78/74/569607874.db2.gz JMLLAXLIAFTLCE-UHFFFAOYSA-N 0 0 469.166 4.952 40 0 JJABRN COC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)n1 ZINC000062715153 569614300 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486.977 4.600 40 0 JJABRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000033598697 569628490 /nfs/dbraw/zinc/62/84/90/569628490.db2.gz OMFNEAWMBRZCCB-STZFKDTASA-N 0 0 451.592 4.760 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc3ccccc3c2)CC1 ZINC000033599706 569628528 /nfs/dbraw/zinc/62/85/28/569628528.db2.gz WLDSANMDOPTBKL-UHFFFAOYSA-N 0 0 451.954 4.569 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)C2CCCCC2)cc1Cl ZINC000033599064 569628532 /nfs/dbraw/zinc/62/85/32/569628532.db2.gz ADZIYSVKGHFKFX-UHFFFAOYSA-N 0 0 471.406 4.964 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)c1ccccc1 ZINC000033612514 569628747 /nfs/dbraw/zinc/62/87/47/569628747.db2.gz PCPNYQRFXWUUDE-UHFFFAOYSA-N 0 0 461.337 4.511 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)o1 ZINC000033609405 569628758 /nfs/dbraw/zinc/62/87/58/569628758.db2.gz DOUVETIFNSVMJW-GRSHGNNSSA-N 0 0 468.443 4.779 40 0 JJABRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000033616751 569628906 /nfs/dbraw/zinc/62/89/06/569628906.db2.gz SDJXAHARIHJZNC-OUKQBFOZSA-N 0 0 496.036 4.795 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1C ZINC000033626694 569629130 /nfs/dbraw/zinc/62/91/30/569629130.db2.gz VNGLPHNUHINURY-NRFANRHFSA-N 0 0 486.041 4.943 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(SC)cc1 ZINC000033658317 569629871 /nfs/dbraw/zinc/62/98/71/569629871.db2.gz NQYYKOXESDNQET-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C)c4ccccc34)C2=O)cc1Cl ZINC000033658613 569629988 /nfs/dbraw/zinc/62/99/88/569629988.db2.gz YKEYJSOXFSKZQC-DJKKODMXSA-N 0 0 455.923 4.515 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000033664502 569630192 /nfs/dbraw/zinc/63/01/92/569630192.db2.gz ZVHTZLFVQKFLAM-QHCPKHFHSA-N 0 0 495.649 4.781 40 0 JJABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000033702334 569631010 /nfs/dbraw/zinc/63/10/10/569631010.db2.gz HWTISHABDYBYFO-JOCHJYFZSA-N 0 0 466.607 4.717 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000033697548 569631053 /nfs/dbraw/zinc/63/10/53/569631053.db2.gz WWRAYYOEPRSLKU-UHFFFAOYSA-N 0 0 473.422 4.668 40 0 JJABRN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCCOc2ccccc2)n1C ZINC000033712846 569631466 /nfs/dbraw/zinc/63/14/66/569631466.db2.gz IUVOZTAIBXPIJP-CYBMUJFWSA-N 0 0 451.379 4.784 40 0 JJABRN Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000033717434 569631724 /nfs/dbraw/zinc/63/17/24/569631724.db2.gz TZASONLEGNKMOT-UHFFFAOYSA-N 0 0 478.492 4.510 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)o1 ZINC000033720475 569631792 /nfs/dbraw/zinc/63/17/92/569631792.db2.gz PEGUFQDWBZKSKO-NDENLUEZSA-N 0 0 480.904 4.700 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Br)ccc2Br)nnc1-c1ccncc1 ZINC000033721227 569631991 /nfs/dbraw/zinc/63/19/91/569631991.db2.gz QLLREYOGVWUFFC-UHFFFAOYSA-N 0 0 497.216 4.616 40 0 JJABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000033733708 569632680 /nfs/dbraw/zinc/63/26/80/569632680.db2.gz QAQNDDVGYBDASX-UDWIEESQSA-N 0 0 457.983 4.715 40 0 JJABRN O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Br)ccc1Br ZINC000033743288 569633233 /nfs/dbraw/zinc/63/32/33/569633233.db2.gz VTOFQCSYVYTMDE-UHFFFAOYSA-N 0 0 469.158 4.992 40 0 JJABRN CCOc1cc(C(=S)N2CCOCC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000033743285 569633212 /nfs/dbraw/zinc/63/32/12/569633212.db2.gz PXUOOLDMFOCTPQ-UHFFFAOYSA-N 0 0 454.361 4.574 40 0 JJABRN COC(=O)c1cccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)c1 ZINC000033743643 569633346 /nfs/dbraw/zinc/63/33/46/569633346.db2.gz AADYXDWFUYEUMY-IWIPYMOSSA-N 0 0 465.509 4.569 40 0 JJABRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000033752298 569633643 /nfs/dbraw/zinc/63/36/43/569633643.db2.gz JQVQKVQBNQVOMB-LJQANCHMSA-N 0 0 492.432 4.980 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F ZINC000033764202 569633976 /nfs/dbraw/zinc/63/39/76/569633976.db2.gz PJXMZSAJGAYJID-GFCCVEGCSA-N 0 0 496.395 4.966 40 0 JJABRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000033780190 569634675 /nfs/dbraw/zinc/63/46/75/569634675.db2.gz APPGZVNAOIZGFR-UHFFFAOYSA-N 0 0 468.579 4.518 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000033786546 569634966 /nfs/dbraw/zinc/63/49/66/569634966.db2.gz FVLXEZGZEPMJAX-UHFFFAOYSA-N 0 0 454.548 4.520 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1 ZINC000033797412 569635411 /nfs/dbraw/zinc/63/54/11/569635411.db2.gz PMKNRRHFRBTAGT-XMMPIXPASA-N 0 0 493.585 4.871 40 0 JJABRN CCOC(=O)Cc1sc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)nc1C ZINC000033863413 569636477 /nfs/dbraw/zinc/63/64/77/569636477.db2.gz QVKXHBHJXOJYHK-UHFFFAOYSA-N 0 0 466.588 4.627 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2ccccc2CC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034702507 569649320 /nfs/dbraw/zinc/64/93/20/569649320.db2.gz UOJDZCVSTGFRGV-UHFFFAOYSA-N 0 0 456.539 4.621 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3C#N)C2=O)o1 ZINC000034736065 569654105 /nfs/dbraw/zinc/65/41/05/569654105.db2.gz SUDUXRRDGRVIEO-WSDLNYQXSA-N 0 0 474.494 4.753 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 ZINC000034765428 569658484 /nfs/dbraw/zinc/65/84/84/569658484.db2.gz KUBVYAVDKMZREE-UHFFFAOYSA-N 0 0 459.515 4.570 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000034806977 569661222 /nfs/dbraw/zinc/66/12/22/569661222.db2.gz FRQNVHDOEOXQHP-OAHLLOKOSA-N 0 0 473.422 4.811 40 0 JJABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)o1 ZINC000034881135 569668856 /nfs/dbraw/zinc/66/88/56/569668856.db2.gz QLXVXNXPHZCTKM-UHFFFAOYSA-N 0 0 455.536 4.561 40 0 JJABRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000035053027 569673972 /nfs/dbraw/zinc/67/39/72/569673972.db2.gz USIGYKLGIKODTP-RRFJBIMHSA-N 0 0 478.473 4.648 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000035044470 569674001 /nfs/dbraw/zinc/67/40/01/569674001.db2.gz YQKRKRYASAASCL-UHFFFAOYSA-N 0 0 464.465 4.832 40 0 JJABRN CCOc1cc(C(=O)OCC(=O)c2ccc(Br)cc2)cc(Br)c1OC ZINC000035044706 569674005 /nfs/dbraw/zinc/67/40/05/569674005.db2.gz TWOYSNXKZRWALY-UHFFFAOYSA-N 0 0 472.129 4.659 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000035044468 569674031 /nfs/dbraw/zinc/67/40/31/569674031.db2.gz OGBCZULIWSYVAY-MRXNPFEDSA-N 0 0 455.407 4.958 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)o1 ZINC000035044422 569674035 /nfs/dbraw/zinc/67/40/35/569674035.db2.gz SNGBNEJYLNFIHK-RGVLZGJSSA-N 0 0 454.479 4.849 40 0 JJABRN Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 ZINC000035154108 569676263 /nfs/dbraw/zinc/67/62/63/569676263.db2.gz GBDJIKAPYGCYRK-FQEVSTJZSA-N 0 0 472.014 4.635 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000035225995 569678433 /nfs/dbraw/zinc/67/84/33/569678433.db2.gz KOKSJUCEJQTIHQ-UHFFFAOYSA-N 0 0 452.557 4.750 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000035252631 569678814 /nfs/dbraw/zinc/67/88/14/569678814.db2.gz OSFYNDYEXWFKDV-UHFFFAOYSA-N 0 0 466.559 4.842 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1Cl ZINC000035263464 569678947 /nfs/dbraw/zinc/67/89/47/569678947.db2.gz ROQWICCHIXHXJZ-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1ccc(O)cc1 ZINC000035288792 569679522 /nfs/dbraw/zinc/67/95/22/569679522.db2.gz DOBQNKRJBXEYMY-SANMLTNESA-N 0 0 469.541 4.976 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000035302111 569679777 /nfs/dbraw/zinc/67/97/77/569679777.db2.gz LDOZBBQCJAOWCL-APSNUPSMSA-N 0 0 482.301 4.585 40 0 JJABRN COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)N(C(=O)c1cccs1)CC2 ZINC000035313482 569680277 /nfs/dbraw/zinc/68/02/77/569680277.db2.gz TXCHUUJOLKTKMT-XMMPIXPASA-N 0 0 460.555 4.703 40 0 JJABRN CC(=O)NC[C@H](C)CCc1nnc2c(c1C)[C@@]1(C)CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C2 ZINC000035361119 569681982 /nfs/dbraw/zinc/68/19/82/569681982.db2.gz INSJZTZMBXGLBZ-LXSNCLJESA-N 0 0 465.682 4.827 40 0 JJABRN Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1C ZINC000035362441 569682406 /nfs/dbraw/zinc/68/24/06/569682406.db2.gz HJRZHPDRVLYWGP-AWEZNQCLSA-N 0 0 492.432 4.961 40 0 JJABRN CCOc1cc(CO)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000035394001 569687240 /nfs/dbraw/zinc/68/72/40/569687240.db2.gz IGXANGGHTBXMMC-UHFFFAOYSA-N 0 0 496.128 4.507 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C(=O)OC(C)(C)C)C3CC3)nc2)cc1 ZINC000072215331 569700315 /nfs/dbraw/zinc/70/03/15/569700315.db2.gz NUDMSQXPBPJYGU-OAQYLSRUSA-N 0 0 457.596 4.820 40 0 JJABRN COc1cc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc(OC)c1OC ZINC000072228738 569700496 /nfs/dbraw/zinc/70/04/96/569700496.db2.gz MLQBVKICYKSQRH-UHFFFAOYSA-N 0 0 466.563 4.994 40 0 JJABRN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216458 569700538 /nfs/dbraw/zinc/70/05/38/569700538.db2.gz HNKYIMWJIGRFKP-JOCHJYFZSA-N 0 0 466.582 4.612 40 0 JJABRN NN=c1[nH]c2c(ccc(Cl)c2N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)s1 ZINC000072230242 569700829 /nfs/dbraw/zinc/70/08/29/569700829.db2.gz ZHLKJIKGBLIQIY-UHFFFAOYSA-N 0 0 456.786 4.505 40 0 JJABRN CC(C)(O)[C@@H]1CC[C@](C)([C@@]2(O)CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000072332871 569703067 /nfs/dbraw/zinc/70/30/67/569703067.db2.gz QYGPFTLXAZGSEF-NSHVTLLUSA-N 0 0 492.741 4.827 40 0 biogenic JJABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)COc4ccc5c(cc(C)n5C)c4)C3)cc2n1 ZINC000072341294 569703406 /nfs/dbraw/zinc/70/34/06/569703406.db2.gz JOIFYQAGKZVICW-INIZCTEOSA-N 0 0 485.510 4.506 40 0 JJABRN C[C@H]1C[C@H]1C(=O)N1CCC(O)(Cn2nc(-c3cccnc3)c3cc(Nc4ccc(F)cc4)ccc32)CC1 ZINC000072397243 569703650 /nfs/dbraw/zinc/70/36/50/569703650.db2.gz GDXASPQUDPVDPB-YADARESESA-N 0 0 499.590 4.991 40 0 JJABRN CCOc1ccc(C(=O)N2CCC(c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)CC2)cc1 ZINC000096155843 569736677 /nfs/dbraw/zinc/73/66/77/569736677.db2.gz YGLPCJQCAAQZPW-UHFFFAOYSA-N 0 0 486.572 4.832 40 0 JJABRN CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCc4ccsc4)cc32)n1 ZINC000096156516 569736843 /nfs/dbraw/zinc/73/68/43/569736843.db2.gz BTMGMWYUQZHYIR-QFIPXVFZSA-N 0 0 471.586 4.643 40 0 JJABRN Nn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(Cl)cc1Cl ZINC000096299466 569740075 /nfs/dbraw/zinc/74/00/75/569740075.db2.gz YBTNMEOPPYVZTC-UHFFFAOYSA-N 0 0 477.402 4.820 40 0 JJABRN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000036351155 569771228 /nfs/dbraw/zinc/77/12/28/569771228.db2.gz GUMILFUAKSSAND-HSALFYBXSA-N 0 0 476.646 4.611 40 0 JJABRN COc1ccc(CCNC(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)NC(=O)c2ccccc2)cc1OC ZINC000100862657 569772753 /nfs/dbraw/zinc/77/27/53/569772753.db2.gz KJTWAXMZBXXCTJ-TTWQBBKJSA-N 0 0 498.579 4.541 40 0 JJABRN CC1=C(C(=O)NCc2ccccc2)[C@H](c2cc(Br)ccc2OC2CCCC2)NC(=O)N1 ZINC000036612735 569777952 /nfs/dbraw/zinc/77/79/52/569777952.db2.gz PIISYBAKGLEVPA-QFIPXVFZSA-N 0 0 484.394 4.715 40 0 JJABRN O=C(c1cc2nccc(-c3ccccc3)n2n1)N1c2ccnn2[C@H](C(F)(F)F)C[C@@H]1C1CC1 ZINC000036614401 569778171 /nfs/dbraw/zinc/77/81/71/569778171.db2.gz ASVHQHMXTWXYJD-MOPGFXCFSA-N 0 0 452.440 4.525 40 0 JJABRN COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4cnn(Cc5ccccc5F)c4)c32)cc1 ZINC000036619341 569778546 /nfs/dbraw/zinc/77/85/46/569778546.db2.gz QORUWJVXOONRIS-UHFFFAOYSA-N 0 0 457.465 4.843 40 0 JJABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000037021554 569781177 /nfs/dbraw/zinc/78/11/77/569781177.db2.gz FLFORJSHFQBEPT-KOSHJBKYSA-N 0 0 497.592 4.500 40 0 JJABRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101099611 569782519 /nfs/dbraw/zinc/78/25/19/569782519.db2.gz SLSDYWCIKPKNLR-FSSWDIPSSA-N 0 0 463.331 4.809 40 0 JJABRN CCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101115761 569783422 /nfs/dbraw/zinc/78/34/22/569783422.db2.gz JPEMRARTJNKTAG-GSDHBNRESA-N 0 0 472.541 4.925 40 0 JJABRN CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000101164319 569785300 /nfs/dbraw/zinc/78/53/00/569785300.db2.gz ILRRTUNBFQAYMI-ZRBLBEILSA-N 0 0 493.357 4.899 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(F)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000101180422 569786297 /nfs/dbraw/zinc/78/62/97/569786297.db2.gz AGYOFJYQOBMALH-BDTNDASRSA-N 0 0 481.321 4.948 40 0 JJABRN CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C ZINC000101189000 569786416 /nfs/dbraw/zinc/78/64/16/569786416.db2.gz XKGIMNOOCLABIU-UHFFFAOYSA-N 0 0 454.596 4.955 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101225706 569787553 /nfs/dbraw/zinc/78/75/53/569787553.db2.gz IQBCKQICGVMOMB-FKBYEOEOSA-N 0 0 452.432 4.752 40 0 JJABRN Cc1cc(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000101344898 569793767 /nfs/dbraw/zinc/79/37/67/569793767.db2.gz NXSYAMGIJSSWKL-CALCHBBNSA-N 0 0 455.551 4.827 40 0 JJABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc43)C2=O)cc1Cl ZINC000038162471 569799559 /nfs/dbraw/zinc/79/95/59/569799559.db2.gz PHNALHPQZRSVRS-VXLYETTFSA-N 0 0 455.923 4.813 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000038556552 569805335 /nfs/dbraw/zinc/80/53/35/569805335.db2.gz LHOVASOELMBLDB-KRWDZBQOSA-N 0 0 488.993 4.796 40 0 JJABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000038752669 569806404 /nfs/dbraw/zinc/80/64/04/569806404.db2.gz UDXHGJUDQWDPEZ-HSZRJFAPSA-N 0 0 463.043 4.785 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000038753618 569806570 /nfs/dbraw/zinc/80/65/70/569806570.db2.gz CSWREINTWVVGDQ-UHFFFAOYSA-N 0 0 472.950 4.878 40 0 JJABRN CC[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)c1ccc(C)cc1 ZINC000038753235 569806585 /nfs/dbraw/zinc/80/65/85/569806585.db2.gz RCUMNTSRQZYHRK-XMMPIXPASA-N 0 0 483.609 4.828 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000038754201 569806623 /nfs/dbraw/zinc/80/66/23/569806623.db2.gz QSEVXVHTZYCSNY-INIZCTEOSA-N 0 0 474.966 4.864 40 0 JJABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)ccc1Cl ZINC000038754159 569806746 /nfs/dbraw/zinc/80/67/46/569806746.db2.gz ILKUAIZLSLBZCY-LLVKDONJSA-N 0 0 493.796 4.617 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1OC ZINC000038754446 569806801 /nfs/dbraw/zinc/80/68/01/569806801.db2.gz KZMZIBJYXHZMCZ-GOSISDBHSA-N 0 0 468.575 4.612 40 0 JJABRN O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000101879991 569806993 /nfs/dbraw/zinc/80/69/93/569806993.db2.gz YETGESCXGPLKLI-BBTUJRGHSA-N 0 0 482.817 4.843 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(Cl)c1 ZINC000038756463 569807223 /nfs/dbraw/zinc/80/72/23/569807223.db2.gz XHGGTAOLTOKJCH-NSHDSACASA-N 0 0 493.796 4.617 40 0 JJABRN C[C@H](NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000038756485 569807299 /nfs/dbraw/zinc/80/72/99/569807299.db2.gz FTTJXGUJKCCISW-INIZCTEOSA-N 0 0 460.958 4.936 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000038756940 569807354 /nfs/dbraw/zinc/80/73/54/569807354.db2.gz XEYIGBOBWNNHQI-UHFFFAOYSA-N 0 0 458.967 4.778 40 0 JJABRN CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 ZINC000038772082 569807648 /nfs/dbraw/zinc/80/76/48/569807648.db2.gz RICPHTYZAPPXIZ-RUZDIDTESA-N 0 0 456.652 4.565 40 0 JJABRN C[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)NCc1ccccc1 ZINC000102003361 569808836 /nfs/dbraw/zinc/80/88/36/569808836.db2.gz JWRXINMASKAPBP-LPPUWEFUSA-N 0 0 490.353 4.657 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OC ZINC000039370696 569809496 /nfs/dbraw/zinc/80/94/96/569809496.db2.gz JPQULHUWLZKHHO-UHFFFAOYSA-N 0 0 451.182 4.580 40 0 JJABRN Brc1cccc(Nc2nc3nonc3nc2N2CCC(Cc3ccccc3)CC2)c1 ZINC000039435882 569809840 /nfs/dbraw/zinc/80/98/40/569809840.db2.gz XPIXPKYEHUAWND-UHFFFAOYSA-N 0 0 465.355 4.978 40 0 JJABRN CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC3CCCC3)c21 ZINC000039556465 569810494 /nfs/dbraw/zinc/81/04/94/569810494.db2.gz IALMZMDUKZPTTK-HAHDFKILSA-N 0 0 472.614 4.525 40 0 JJABRN Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)C(=S)N3C)c3cc(Br)ccc32)cc1 ZINC000039556608 569810550 /nfs/dbraw/zinc/81/05/50/569810550.db2.gz BJZAFKMFWADSOS-MTJSOVHGSA-N 0 0 484.419 4.821 40 0 JJABRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)N(CC(=O)OC)C2=S)cc1 ZINC000039556706 569810674 /nfs/dbraw/zinc/81/06/74/569810674.db2.gz RHOWAUCKTSNWKK-OYKKKHCWSA-N 0 0 491.613 4.844 40 0 JJABRN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccccc4)c4ccccc34)NC2=S)cc1C ZINC000039556737 569810708 /nfs/dbraw/zinc/81/07/08/569810708.db2.gz CBCZYVJYAHCSPA-MYYYXRDXSA-N 0 0 494.620 4.837 40 0 JJABRN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCCC4)c4ccccc34)NC2=S)cc1C ZINC000039556754 569810739 /nfs/dbraw/zinc/81/07/39/569810739.db2.gz PNTMSLHGHJUJSG-HAHDFKILSA-N 0 0 472.614 4.533 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc(N(C)C)cc3)s2)cc1 ZINC000039744266 569811208 /nfs/dbraw/zinc/81/12/08/569811208.db2.gz ACKAWGTUKLNHLX-UHFFFAOYSA-N 0 0 473.558 4.784 40 0 JJABRN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039759355 569811535 /nfs/dbraw/zinc/81/15/35/569811535.db2.gz PNRAAUNZHDVJAI-UHFFFAOYSA-N 0 0 480.971 4.655 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)s2)cc1 ZINC000039766300 569811746 /nfs/dbraw/zinc/81/17/46/569811746.db2.gz YCOYQDRWZODCDO-UHFFFAOYSA-N 0 0 480.571 4.575 40 0 JJABRN COC(=O)C[C@]1(C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H](c2ccc(C)cc2)N1c1ccccc1 ZINC000102276596 569811769 /nfs/dbraw/zinc/81/17/69/569811769.db2.gz YMUYFBDDCPPKDZ-KPARNRDPSA-N 0 0 468.553 4.684 40 0 JJABRN CO[C@@]1(C)O[C@]2(C)CO[C@H](c3ccccc3)O[C@@]2(C)[C@@](C)(O)[C@]1(C)O[C@]1(C)OC[C@H](C)[C@@H](C)[C@H]1C ZINC000039945905 569812447 /nfs/dbraw/zinc/81/24/47/569812447.db2.gz BHHCZUBJUMCTLK-SJYRMOFPSA-N 0 0 492.653 4.823 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1-c1ccc(F)cc1 ZINC000039963923 569812539 /nfs/dbraw/zinc/81/25/39/569812539.db2.gz KYEHVTDQGDBVSF-UHFFFAOYSA-N 0 0 459.403 4.656 40 0 JJABRN CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985199 569812969 /nfs/dbraw/zinc/81/29/69/569812969.db2.gz ZHDIOFLBBXONEE-UHFFFAOYSA-N 0 0 453.402 4.530 40 0 JJABRN CCN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985787 569812979 /nfs/dbraw/zinc/81/29/79/569812979.db2.gz YDDLTLMYDZGBDZ-UHFFFAOYSA-N 0 0 462.930 4.921 40 0 JJABRN CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985718 569812998 /nfs/dbraw/zinc/81/29/98/569812998.db2.gz HSNIQEUPCYFVMZ-UHFFFAOYSA-N 0 0 470.616 4.804 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC(c2ccccc2)c2ccccc2)cc1Cl ZINC000039986574 569813225 /nfs/dbraw/zinc/81/32/25/569813225.db2.gz PSRJXCNVGOTEDD-UHFFFAOYSA-N 0 0 487.021 4.655 40 0 JJABRN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706552 569816559 /nfs/dbraw/zinc/81/65/59/569816559.db2.gz DTCMDRMUZCKVQO-BHIFYINESA-N 0 0 479.330 4.509 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102756755 569821227 /nfs/dbraw/zinc/82/12/27/569821227.db2.gz GAZHQWQMDQVGHO-TZRRMPRUSA-N 0 0 478.932 4.717 40 0 JJABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br ZINC000102764035 569822646 /nfs/dbraw/zinc/82/26/46/569822646.db2.gz QIFYGGOSVKHCEK-BHIFYINESA-N 0 0 497.320 4.648 40 0 JJABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Br)cc4)c(COC)nn3c2C)cc1 ZINC000040372507 569824077 /nfs/dbraw/zinc/82/40/77/569824077.db2.gz YFTMSIBRAUWGQU-UHFFFAOYSA-N 0 0 480.366 4.823 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(Br)cc1 ZINC000040372536 569824125 /nfs/dbraw/zinc/82/41/25/569824125.db2.gz UWZFAZJZFMWOFH-UHFFFAOYSA-N 0 0 486.757 4.914 40 0 JJABRN CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(COC)nn2c1CSc1ccc(C)cc1 ZINC000040372742 569824238 /nfs/dbraw/zinc/82/42/38/569824238.db2.gz GVFRQKUIAWHNNS-UHFFFAOYSA-N 0 0 466.538 4.854 40 0 JJABRN O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c2ccc(F)cc12 ZINC000040392472 569825475 /nfs/dbraw/zinc/82/54/75/569825475.db2.gz UZKFVPNGSQXRKA-UHFFFAOYSA-N 0 0 458.884 4.623 40 0 JJABRN COCc1nn2c(ncc3c2ccn(NC(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397855 569825790 /nfs/dbraw/zinc/82/57/90/569825790.db2.gz SPFWAOYRRGAYAL-UHFFFAOYSA-N 0 0 494.338 4.548 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000040399295 569826375 /nfs/dbraw/zinc/82/63/75/569826375.db2.gz KSTREMLLURNSKY-AWEZNQCLSA-N 0 0 478.723 4.538 40 0 JJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1Cl ZINC000040399492 569826690 /nfs/dbraw/zinc/82/66/90/569826690.db2.gz VYMCWKQLESLAHJ-AWEZNQCLSA-N 0 0 492.750 4.847 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21 ZINC000040399493 569826699 /nfs/dbraw/zinc/82/66/99/569826699.db2.gz STFWFYGTVBFJCJ-CYBMUJFWSA-N 0 0 492.750 4.847 40 0 JJABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1Cl ZINC000040399567 569826771 /nfs/dbraw/zinc/82/67/71/569826771.db2.gz POEBDFQOWMJXPO-GFCCVEGCSA-N 0 0 492.750 4.847 40 0 JJABRN O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21 ZINC000040399552 569826798 /nfs/dbraw/zinc/82/67/98/569826798.db2.gz BBFSRLTYZOHYIY-JTQLQIEISA-N 0 0 478.723 4.538 40 0 JJABRN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 ZINC000040400245 569827351 /nfs/dbraw/zinc/82/73/51/569827351.db2.gz KRWGXXMJNRVRBK-KRWDZBQOSA-N 0 0 485.466 4.720 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000040717416 569830351 /nfs/dbraw/zinc/83/03/51/569830351.db2.gz GWQKTXLFPSHMRV-UHFFFAOYSA-N 0 0 488.426 4.713 40 0 JJABRN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000040717965 569830437 /nfs/dbraw/zinc/83/04/37/569830437.db2.gz FAXDNRGSEHCURP-UHFFFAOYSA-N 0 0 493.460 4.815 40 0 JJABRN CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000040717932 569830439 /nfs/dbraw/zinc/83/04/39/569830439.db2.gz XMEMWQSSPJPYIU-UHFFFAOYSA-N 0 0 493.460 4.815 40 0 JJABRN NC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Br)cc2)[C@H]2Oc3ccccc3[C@H]2O1 ZINC000103218669 569833894 /nfs/dbraw/zinc/83/38/94/569833894.db2.gz GHYPQIOZUXWWCY-KSEOMHKRSA-N 0 0 463.331 4.874 40 0 JJABRN O=C(C1=C2C(O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccccc1 ZINC000103513267 569835502 /nfs/dbraw/zinc/83/55/02/569835502.db2.gz DREWMWKLZHTIOX-GPJHCHHRSA-N 0 0 490.346 4.755 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103828793 569838207 /nfs/dbraw/zinc/83/82/07/569838207.db2.gz XHCRFWMNZQVFFQ-XMMPIXPASA-N 0 0 497.617 4.530 40 0 JJABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@@H]1c1ccccc1OC ZINC000103828629 569838214 /nfs/dbraw/zinc/83/82/14/569838214.db2.gz YRTYFHUGKFWGGC-HSZRJFAPSA-N 0 0 467.591 4.521 40 0 JJABRN Cc1cccc(N(CC(=O)NCCSCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000044791781 569838901 /nfs/dbraw/zinc/83/89/01/569838901.db2.gz NMNNZOIYERAWCL-UHFFFAOYSA-N 0 0 489.062 4.893 40 0 JJABRN Cc1cccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000044791806 569838910 /nfs/dbraw/zinc/83/89/10/569838910.db2.gz JVOZBODWQPPYLS-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2cccc(Br)c2)cc1 ZINC000044792875 569839069 /nfs/dbraw/zinc/83/90/69/569839069.db2.gz YEPGDHYRDFYRGI-UHFFFAOYSA-N 0 0 481.456 4.750 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3[C@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000104078095 569840393 /nfs/dbraw/zinc/84/03/93/569840393.db2.gz JYDCKBUQHNKXSP-ZJSPYRCASA-N 0 0 497.982 4.985 40 0 JJABRN O=C(C1=C2C(O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000104088297 569840654 /nfs/dbraw/zinc/84/06/54/569840654.db2.gz CYWLHOKFOSLDQF-MYDTUXCISA-N 0 0 490.346 4.755 40 0 JJABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)c1 ZINC000106750671 569855504 /nfs/dbraw/zinc/85/55/04/569855504.db2.gz WJAQKHSKGJBLAZ-BOPFTXTBSA-N 0 0 465.312 4.926 40 0 JJABRN COCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000104231401 569843570 /nfs/dbraw/zinc/84/35/70/569843570.db2.gz AZOBGODQUHPIJS-AREMUKBSSA-N 0 0 463.578 4.724 40 0 JJABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1OC ZINC000215224987 569877253 /nfs/dbraw/zinc/87/72/53/569877253.db2.gz LZPILFXVPDVLOK-LICLKQGHSA-N 0 0 481.311 4.545 40 0 JJABRN COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)[C@H]2CSCN21 ZINC000105346016 569852832 /nfs/dbraw/zinc/85/28/32/569852832.db2.gz XIRKUVRWBIILHB-KALPRAJFSA-N 0 0 470.594 4.822 40 0 JJABRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000106690815 569854687 /nfs/dbraw/zinc/85/46/87/569854687.db2.gz OKHMDSYQRWGBPR-HMAPJEAMSA-N 0 0 499.541 4.839 40 0 JJABRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(O)c(I)c3)C2=O)c1 ZINC000106706862 569854920 /nfs/dbraw/zinc/85/49/20/569854920.db2.gz AHQMGLNHRKFTEJ-SXGWCWSVSA-N 0 0 451.285 4.542 40 0 JJABRN COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(I)cc2)C1=O ZINC000106737001 569855333 /nfs/dbraw/zinc/85/53/33/569855333.db2.gz AHWKIEYROURXEG-YBEGLDIGSA-N 0 0 451.285 4.536 40 0 JJABRN COC(=O)CN1C(=O)S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000106742537 569855412 /nfs/dbraw/zinc/85/54/12/569855412.db2.gz OXBBGAXNUSLBFW-JAIQZWGSSA-N 0 0 454.935 4.861 40 0 JJABRN CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000106754148 569855552 /nfs/dbraw/zinc/85/55/52/569855552.db2.gz DRKKZKGSCSDDNU-SXGWCWSVSA-N 0 0 450.310 4.697 40 0 JJABRN O=C(CN1C(=O)S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O)N1CCCC1 ZINC000106763679 569855657 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CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222590958 569886495 /nfs/dbraw/zinc/88/64/95/569886495.db2.gz FJFYQUWCTHXZHG-RDPSFJRHSA-N 0 0 471.601 4.565 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c2ccccc12 ZINC000222593965 569886535 /nfs/dbraw/zinc/88/65/35/569886535.db2.gz LYBZJXCRLVRQAM-UHFFFAOYSA-N 0 0 462.527 4.534 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c2ccccc12 ZINC000222593858 569886574 /nfs/dbraw/zinc/88/65/74/569886574.db2.gz XGGLOSYOLARHAH-UHFFFAOYSA-N 0 0 462.527 4.534 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222600237 569886674 /nfs/dbraw/zinc/88/66/74/569886674.db2.gz KSZZDEQDJYFCNQ-OFVILXPXSA-N 0 0 454.611 4.619 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000222612807 569886964 /nfs/dbraw/zinc/88/69/64/569886964.db2.gz WTACIKFYTSILHV-FQEVSTJZSA-N 0 0 486.678 4.977 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000222616780 569887051 /nfs/dbraw/zinc/88/70/51/569887051.db2.gz LSIUKKZYVMIDQZ-GOSISDBHSA-N 0 0 487.021 4.984 40 0 JJABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Cl)cc1Cl ZINC000222634745 569887454 /nfs/dbraw/zinc/88/74/54/569887454.db2.gz RSOJQPOPOGVKGP-LLVKDONJSA-N 0 0 464.176 4.842 40 0 JJABRN CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000222634572 569887452 /nfs/dbraw/zinc/88/74/52/569887452.db2.gz DCNKGUPJAQYCHF-KRWDZBQOSA-N 0 0 483.373 4.620 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CSc1ccccc1 ZINC000222644337 569887697 /nfs/dbraw/zinc/88/76/97/569887697.db2.gz QCLAANFMWSLMRA-QHCPKHFHSA-N 0 0 497.458 4.927 40 0 JJABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656692 569887843 /nfs/dbraw/zinc/88/78/43/569887843.db2.gz IKDLQRAZYYTDFJ-DNOBIOAJSA-N 0 0 474.582 4.723 40 0 JJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000222661543 569887939 /nfs/dbraw/zinc/88/79/39/569887939.db2.gz MTLVOFOBWHKXSD-HNNXBMFYSA-N 0 0 481.818 4.813 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000222672964 569888181 /nfs/dbraw/zinc/88/81/81/569888181.db2.gz SECWBWCDUZHWDF-UHFFFAOYSA-N 0 0 460.555 4.644 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc32)cc1 ZINC000222683239 569888405 /nfs/dbraw/zinc/88/84/05/569888405.db2.gz UBIDKMMIZFRRIG-UHFFFAOYSA-N 0 0 460.555 4.644 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222713315 569889345 /nfs/dbraw/zinc/88/93/45/569889345.db2.gz CZUOFCSBQPEBJA-RUZDIDTESA-N 0 0 492.591 4.625 40 0 JJABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222724723 569889615 /nfs/dbraw/zinc/88/96/15/569889615.db2.gz COJIJMGLGMYJJN-HXUWFJFHSA-N 0 0 450.966 4.761 40 0 JJABRN COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000222730762 569889733 /nfs/dbraw/zinc/88/97/33/569889733.db2.gz 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569891673 /nfs/dbraw/zinc/89/16/73/569891673.db2.gz RAZCVTDLQVBIKI-GOSISDBHSA-N 0 0 461.002 4.623 40 0 JJABRN COc1cccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000222835325 569892233 /nfs/dbraw/zinc/89/22/33/569892233.db2.gz VVRVUQXFKHJUEC-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN COc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222835419 569892238 /nfs/dbraw/zinc/89/22/38/569892238.db2.gz XWGBOBGCVNJSKO-UHFFFAOYSA-N 0 0 474.582 4.669 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222836482 569892298 /nfs/dbraw/zinc/89/22/98/569892298.db2.gz LBEWEWNTAWAMAV-QFIPXVFZSA-N 0 0 461.002 4.676 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc3ccccc32)c2ccc(F)cc2)cc1 ZINC000222836165 569892302 /nfs/dbraw/zinc/89/23/02/569892302.db2.gz WHWGYWYEMFDJSX-UHFFFAOYSA-N 0 0 462.546 4.799 40 0 JJABRN Cc1cccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccccc2)c1C ZINC000222844530 569892471 /nfs/dbraw/zinc/89/24/71/569892471.db2.gz OPBQZWZKEPICKE-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222847901 569892583 /nfs/dbraw/zinc/89/25/83/569892583.db2.gz CEIXOMLUUDCTDX-QGZVFWFLSA-N 0 0 456.373 4.665 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222848223 569892586 /nfs/dbraw/zinc/89/25/86/569892586.db2.gz JCRQVJBBXPUGFW-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222848793 569892647 /nfs/dbraw/zinc/89/26/47/569892647.db2.gz NTDBZXRYBYQHML-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)COc2ccccc2)cc1 ZINC000222850469 569892686 /nfs/dbraw/zinc/89/26/86/569892686.db2.gz GGPBHGPTBKOGDW-FQEVSTJZSA-N 0 0 450.966 4.761 40 0 JJABRN CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222869034 569893115 /nfs/dbraw/zinc/89/31/15/569893115.db2.gz JTUIPXHQZDLIBX-JOCHJYFZSA-N 0 0 459.428 4.961 40 0 JJABRN CSc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1C(=O)N1CCC(C)CC1 ZINC000222868290 569893118 /nfs/dbraw/zinc/89/31/18/569893118.db2.gz ZUNQBWLITNNYCB-UHFFFAOYSA-N 0 0 468.644 4.912 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000222868040 569893125 /nfs/dbraw/zinc/89/31/25/569893125.db2.gz IFUUQZIGBAYYMC-HSZRJFAPSA-N 0 0 496.629 4.783 40 0 JJABRN O=C(NCc1cccc2ccccc21)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000222874682 569893226 /nfs/dbraw/zinc/89/32/26/569893226.db2.gz PJMXIDKHGMZCGG-VWLOTQADSA-N 0 0 492.984 4.766 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2cccc3c2CCCC3)cc1OC ZINC000222878773 569893335 /nfs/dbraw/zinc/89/33/35/569893335.db2.gz AMNSKVJHYQPXSU-UHFFFAOYSA-N 0 0 488.584 4.573 40 0 JJABRN CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000222877647 569893361 /nfs/dbraw/zinc/89/33/61/569893361.db2.gz RZYJILRGXJVYJI-MHZLTWQESA-N 0 0 458.602 4.576 40 0 JJABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2Cl)cc1 ZINC000222878985 569893380 /nfs/dbraw/zinc/89/33/80/569893380.db2.gz KNYXZVAHEXTHAA-LJQANCHMSA-N 0 0 468.956 4.900 40 0 JJABRN C[C@@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222883138 569893464 /nfs/dbraw/zinc/89/34/64/569893464.db2.gz BMJZMKQFVNXUOM-AWEZNQCLSA-N 0 0 484.927 4.983 40 0 JJABRN C[C@H]1Cc2cc(Br)ccc2N1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000222888671 569893698 /nfs/dbraw/zinc/89/36/98/569893698.db2.gz KLFMGJSUDFVJSB-KRWDZBQOSA-N 0 0 491.451 4.534 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c(Br)c1 ZINC000222891222 569893718 /nfs/dbraw/zinc/89/37/18/569893718.db2.gz LSSPSECVCVRBBG-MRXNPFEDSA-N 0 0 493.417 4.861 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccccc2)cc1 ZINC000222911253 569894138 /nfs/dbraw/zinc/89/41/38/569894138.db2.gz TZTOHSCPDCILJX-FQEVSTJZSA-N 0 0 478.614 4.647 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1OC ZINC000222923113 569894494 /nfs/dbraw/zinc/89/44/94/569894494.db2.gz RNMNJPUAOJGUBB-URPBSQGJSA-N 0 0 476.573 4.940 40 0 JJABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222924457 569894533 /nfs/dbraw/zinc/89/45/33/569894533.db2.gz PNMAQFINRXLNMT-SFHVURJKSA-N 0 0 468.956 4.764 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222926290 569894563 /nfs/dbraw/zinc/89/45/63/569894563.db2.gz KIWMJDKNGJHUTA-GOSISDBHSA-N 0 0 468.956 4.764 40 0 JJABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3Cl)ccc21 ZINC000222926994 569894575 /nfs/dbraw/zinc/89/45/75/569894575.db2.gz ZZKYFPMBFWRRGQ-UHFFFAOYSA-N 0 0 473.447 4.504 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000222927300 569894611 /nfs/dbraw/zinc/89/46/11/569894611.db2.gz VKDQGLWCPLZNMJ-SFHVURJKSA-N 0 0 477.992 4.787 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222933082 569894783 /nfs/dbraw/zinc/89/47/83/569894783.db2.gz NKQJHGOSNJXDDH-JOCHJYFZSA-N 0 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CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000222953232 569895338 /nfs/dbraw/zinc/89/53/38/569895338.db2.gz DWKDFVCUEMIPLY-HXUWFJFHSA-N 0 0 475.427 4.679 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222953098 569895354 /nfs/dbraw/zinc/89/53/54/569895354.db2.gz KLYFFOXRANHQLQ-HXUWFJFHSA-N 0 0 461.400 4.505 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCC1 ZINC000222962589 569895564 /nfs/dbraw/zinc/89/55/64/569895564.db2.gz YYWKUMGVIHBICB-KRWDZBQOSA-N 0 0 458.649 4.563 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 ZINC000222964616 569895613 /nfs/dbraw/zinc/89/56/13/569895613.db2.gz BZCGWIWBJJNZPW-QGZVFWFLSA-N 0 0 493.044 4.777 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000222982308 569896076 /nfs/dbraw/zinc/89/60/76/569896076.db2.gz UWFWFVOTJGTKKQ-CQSZACIVSA-N 0 0 455.357 4.843 40 0 JJABRN CCSc1nnc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)s1 ZINC000222985038 569896201 /nfs/dbraw/zinc/89/62/01/569896201.db2.gz LAXAPSFSNUJRHK-UHFFFAOYSA-N 0 0 483.040 4.522 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222986496 569896245 /nfs/dbraw/zinc/89/62/45/569896245.db2.gz PCONEGVBELVAOF-QGZVFWFLSA-N 0 0 463.441 4.544 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000222988018 569896326 /nfs/dbraw/zinc/89/63/26/569896326.db2.gz PXOOEQKDBGPFPB-AOMKIAJQSA-N 0 0 479.042 4.649 40 0 JJABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222996987 569896518 /nfs/dbraw/zinc/89/65/18/569896518.db2.gz YUQPMIYLIUWPGI-IBGZPJMESA-N 0 0 480.992 4.633 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222997163 569896525 /nfs/dbraw/zinc/89/65/25/569896525.db2.gz VJHMNYAHEYSGDB-HXUWFJFHSA-N 0 0 495.019 4.676 40 0 JJABRN CCOc1ccc(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1Cl ZINC000223011401 569896802 /nfs/dbraw/zinc/89/68/02/569896802.db2.gz HCSVLWRMUVWGTC-UHFFFAOYSA-N 0 0 454.379 4.721 40 0 JJABRN COc1ccc(CC(=O)N(Cc2cccc(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000223017543 569896908 /nfs/dbraw/zinc/89/69/08/569896908.db2.gz RWADWTFTSHMVRB-NDEPHWFRSA-N 0 0 488.628 4.659 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1 ZINC000223017735 569896943 /nfs/dbraw/zinc/89/69/43/569896943.db2.gz JQRBGHABAZIFMR-MUUNZHRXSA-N 0 0 472.629 4.958 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223020908 569896950 /nfs/dbraw/zinc/89/69/50/569896950.db2.gz PSFBNSYGCYIJQO-INIZCTEOSA-N 0 0 481.818 4.652 40 0 JJABRN COc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223026971 569897166 /nfs/dbraw/zinc/89/71/66/569897166.db2.gz VLCIJBVJTXMXFC-QGZVFWFLSA-N 0 0 463.043 4.914 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223034841 569897447 /nfs/dbraw/zinc/89/74/47/569897447.db2.gz VTHFLGOAURDCEW-CQSZACIVSA-N 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MZKCGDAHXRSZCB-XMMPIXPASA-N 0 0 450.966 4.625 40 0 JJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223125112 569900244 /nfs/dbraw/zinc/90/02/44/569900244.db2.gz LMRUJOBHZFBKCR-HSZRJFAPSA-N 0 0 478.976 4.735 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223128611 569900339 /nfs/dbraw/zinc/90/03/39/569900339.db2.gz XGTQMKDELWUYAL-AREMUKBSSA-N 0 0 458.602 4.965 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000223143048 569900942 /nfs/dbraw/zinc/90/09/42/569900942.db2.gz SFFCAHIZTLTQPP-QFIPXVFZSA-N 0 0 477.992 4.787 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223142777 569900948 /nfs/dbraw/zinc/90/09/48/569900948.db2.gz VCWAQTAIXLVEEP-CVEARBPZSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223143065 569900966 /nfs/dbraw/zinc/90/09/66/569900966.db2.gz TXBNATNNUJUBTB-VWLOTQADSA-N 0 0 454.636 4.542 40 0 JJABRN 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ZINC000223178624 569902283 /nfs/dbraw/zinc/90/22/83/569902283.db2.gz JTLLPKLMSRRCOA-LBPRGKRZSA-N 0 0 475.825 4.779 40 0 JJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CCCCC1 ZINC000223180618 569902325 /nfs/dbraw/zinc/90/23/25/569902325.db2.gz UWAIKRSFVDMPNU-UIOOFZCWSA-N 0 0 481.710 4.700 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl ZINC000223181304 569902418 /nfs/dbraw/zinc/90/24/18/569902418.db2.gz AEGPRSOGLOMWSS-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223182322 569902484 /nfs/dbraw/zinc/90/24/84/569902484.db2.gz GTCZGGZNIXJQGC-QGZVFWFLSA-N 0 0 488.209 4.688 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000223184538 569902585 /nfs/dbraw/zinc/90/25/85/569902585.db2.gz SEDAHMVEXBWDIW-ROUUACIJSA-N 0 0 475.427 4.722 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C ZINC000223184449 569902593 /nfs/dbraw/zinc/90/25/93/569902593.db2.gz QAAQYCULIQYWGW-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C ZINC000223184394 569902617 /nfs/dbraw/zinc/90/26/17/569902617.db2.gz QAAQYCULIQYWGW-MOPGFXCFSA-N 0 0 475.427 4.777 40 0 JJABRN C[C@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC000223191159 569902772 /nfs/dbraw/zinc/90/27/72/569902772.db2.gz RKAAFLFKIFUXQY-SFHVURJKSA-N 0 0 466.578 4.772 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223194905 569902873 /nfs/dbraw/zinc/90/28/73/569902873.db2.gz WORZJZLJKGSVAE-GOSISDBHSA-N 0 0 463.043 4.915 40 0 JJABRN CCc1ccc([C@@H](C)NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000223195113 569902986 /nfs/dbraw/zinc/90/29/86/569902986.db2.gz HCMVXINLOPEZDT-MRXNPFEDSA-N 0 0 456.530 4.691 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000223198809 569903189 /nfs/dbraw/zinc/90/31/89/569903189.db2.gz BZLIBGSLNXAXPF-LJQANCHMSA-N 0 0 457.398 4.919 40 0 JJABRN CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223198233 569903137 /nfs/dbraw/zinc/90/31/37/569903137.db2.gz FJFANDVJEDBDFX-QGZVFWFLSA-N 0 0 479.027 4.659 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223199159 569903198 /nfs/dbraw/zinc/90/31/98/569903198.db2.gz MTMZLPCUOSRKJR-HZPDHXFCSA-N 0 0 465.819 4.977 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)c1 ZINC000223205976 569903429 /nfs/dbraw/zinc/90/34/29/569903429.db2.gz FIFGINKKPLIIER-UHFFFAOYSA-N 0 0 466.603 4.575 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 ZINC000223210469 569903549 /nfs/dbraw/zinc/90/35/49/569903549.db2.gz PUBAJHOGXZPDLO-NRFANRHFSA-N 0 0 475.427 4.858 40 0 JJABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223209400 569903569 /nfs/dbraw/zinc/90/35/69/569903569.db2.gz UYVMFFULLRRRIK-MHZLTWQESA-N 0 0 476.592 4.551 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223210108 569903583 /nfs/dbraw/zinc/90/35/83/569903583.db2.gz YSYDRHYUJYMKFI-MUUNZHRXSA-N 0 0 488.628 4.939 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 ZINC000223213644 569903734 /nfs/dbraw/zinc/90/37/34/569903734.db2.gz VVSPHAMWKHRYIG-MHZLTWQESA-N 0 0 458.602 4.712 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2ccc(Cl)cc2)cc1 ZINC000223224766 569904053 /nfs/dbraw/zinc/90/40/53/569904053.db2.gz ZZINDDWONKFNBK-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223225440 569904083 /nfs/dbraw/zinc/90/40/83/569904083.db2.gz AMCWQAZSKUOMHM-VWLOTQADSA-N 0 0 464.993 4.803 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223227036 569904114 /nfs/dbraw/zinc/90/41/14/569904114.db2.gz MSUDQDDPQDOPHH-HSZRJFAPSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223232537 569904369 /nfs/dbraw/zinc/90/43/69/569904369.db2.gz 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CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223490232 569913230 /nfs/dbraw/zinc/91/32/30/569913230.db2.gz CEHUULXFHKQMMO-VWLOTQADSA-N 0 0 492.591 4.552 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223491649 569913250 /nfs/dbraw/zinc/91/32/50/569913250.db2.gz UHDKMFUPNKGVHR-MUUNZHRXSA-N 0 0 467.544 4.850 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000223492817 569913329 /nfs/dbraw/zinc/91/33/29/569913329.db2.gz BYEFMXWKPOCEEF-QGZVFWFLSA-N 0 0 492.519 4.787 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000223494681 569913430 /nfs/dbraw/zinc/91/34/30/569913430.db2.gz FNTNOYCQHVDYMS-UHFFFAOYSA-N 0 0 496.938 4.913 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1C ZINC000223497297 569913572 /nfs/dbraw/zinc/91/35/72/569913572.db2.gz DUUUQLSEYPDIDJ-RUZDIDTESA-N 0 0 462.565 4.598 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223497954 569913627 /nfs/dbraw/zinc/91/36/27/569913627.db2.gz SMADUZSXBVVGQR-XMMPIXPASA-N 0 0 452.957 4.798 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223505091 569913886 /nfs/dbraw/zinc/91/38/86/569913886.db2.gz IRBDNSSSGZITMY-MUUNZHRXSA-N 0 0 483.543 4.686 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 ZINC000223506395 569913919 /nfs/dbraw/zinc/91/39/19/569913919.db2.gz WUCXAUWVEMUQFQ-RPBOFIJWSA-N 0 0 454.603 4.506 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OCC)c(OCC)c1 ZINC000223506957 569913948 /nfs/dbraw/zinc/91/39/48/569913948.db2.gz MZOKKRRWHNIXHY-NRFANRHFSA-N 0 0 484.637 4.759 40 0 JJABRN Cc1cc(Cl)ccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223511237 569914080 /nfs/dbraw/zinc/91/40/80/569914080.db2.gz KCKUNICWGMGAIC-LJQANCHMSA-N 0 0 456.995 4.764 40 0 JJABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1cccc2ccccc21 ZINC000223512755 569914105 /nfs/dbraw/zinc/91/41/05/569914105.db2.gz UQXIXZPYNWMWRG-UHFFFAOYSA-N 0 0 495.000 4.884 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223513719 569914185 /nfs/dbraw/zinc/91/41/85/569914185.db2.gz ODCGQIOUXHSYCC-INIZCTEOSA-N 0 0 451.394 4.878 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc3ccccc32)c2ccccc2F)cc1 ZINC000223516672 569914312 /nfs/dbraw/zinc/91/43/12/569914312.db2.gz VAZLDFPXTFZDCB-UHFFFAOYSA-N 0 0 492.572 4.678 40 0 JJABRN COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223519620 569914399 /nfs/dbraw/zinc/91/43/99/569914399.db2.gz AKEZLLYBKLIOMI-UHFFFAOYSA-N 0 0 467.031 4.875 40 0 JJABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1 ZINC000223520482 569914417 /nfs/dbraw/zinc/91/44/17/569914417.db2.gz OLUWBIXYCLCPLB-DNQXCXABSA-N 0 0 470.554 4.696 40 0 JJABRN CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 ZINC000223548499 569915543 /nfs/dbraw/zinc/91/55/43/569915543.db2.gz CHEHITJYKUTSBQ-JWQCQUIFSA-N 0 0 455.587 4.839 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1nnc(SCC(C)C)s1 ZINC000223549416 569915600 /nfs/dbraw/zinc/91/56/00/569915600.db2.gz HLEJTDRHASOFIP-UHFFFAOYSA-N 0 0 462.622 4.648 40 0 JJABRN CCCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223549776 569915634 /nfs/dbraw/zinc/91/56/34/569915634.db2.gz NDMXEMJYNLFCNS-UHFFFAOYSA-N 0 0 494.657 4.955 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2cc(C)ccc2C)cc1 ZINC000223551543 569915686 /nfs/dbraw/zinc/91/56/86/569915686.db2.gz KBMOSHRPLYIDCP-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223555202 569915822 /nfs/dbraw/zinc/91/58/22/569915822.db2.gz HVTGJSSJCHKNLH-AREMUKBSSA-N 0 0 460.574 4.746 40 0 JJABRN CCc1ccccc1N(CC(=O)NCCOc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223558787 569915975 /nfs/dbraw/zinc/91/59/75/569915975.db2.gz SRCNQNZKGAASHH-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 ZINC000223561345 569916122 /nfs/dbraw/zinc/91/61/22/569916122.db2.gz KQABCCGBGLDXIP-RPWUZVMVSA-N 0 0 470.554 4.696 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000223561230 569916141 /nfs/dbraw/zinc/91/61/41/569916141.db2.gz MXFIEHPKVFRPLY-HSZRJFAPSA-N 0 0 470.566 4.606 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223563267 569916211 /nfs/dbraw/zinc/91/62/11/569916211.db2.gz QMKYUHDJEHEACD-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C)cc2C)c2ccc(Cl)cc2)cc1 ZINC000223566384 569916355 /nfs/dbraw/zinc/91/63/55/569916355.db2.gz PTOXJKSZPCIGIR-UHFFFAOYSA-N 0 0 487.021 4.656 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223581319 569916837 /nfs/dbraw/zinc/91/68/37/569916837.db2.gz WEWYNRLYHUBHEV-GOSISDBHSA-N 0 0 489.454 4.987 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000223587809 569917097 /nfs/dbraw/zinc/91/70/97/569917097.db2.gz AXFUTTYLGUVADF-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccccc2F)cc1 ZINC000223592254 569917150 /nfs/dbraw/zinc/91/71/50/569917150.db2.gz PEYHJOOHSHWXNA-UHFFFAOYSA-N 0 0 498.620 4.822 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 ZINC000223594277 569917224 /nfs/dbraw/zinc/91/72/24/569917224.db2.gz XUVPSMRAIIONSV-NRFANRHFSA-N 0 0 461.400 4.552 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(OC)cc1 ZINC000223611138 569917874 /nfs/dbraw/zinc/91/78/74/569917874.db2.gz AXVPRXFZBALZCI-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)cc1 ZINC000223616363 569917977 /nfs/dbraw/zinc/91/79/77/569917977.db2.gz GGKBVNRBDJYMKZ-OAQYLSRUSA-N 0 0 491.426 4.559 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000223617729 569918053 /nfs/dbraw/zinc/91/80/53/569918053.db2.gz FIZGZCCAKSEPBO-DEOSSOPVSA-N 0 0 462.590 4.949 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1C ZINC000223631349 569918419 /nfs/dbraw/zinc/91/84/19/569918419.db2.gz KIJLPFUCBFVEOS-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223631457 569918430 /nfs/dbraw/zinc/91/84/30/569918430.db2.gz YKZPKWWEPNTEBZ-QHCPKHFHSA-N 0 0 456.652 4.959 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223633436 569918505 /nfs/dbraw/zinc/91/85/05/569918505.db2.gz LACQDSDBHJNZFO-OAQYLSRUSA-N 0 0 495.428 4.886 40 0 JJABRN CCc1ccccc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(=O)(=O)c1ccc(C)cc1 ZINC000223639322 569918694 /nfs/dbraw/zinc/91/86/94/569918694.db2.gz DOIJWJONEGUQKV-UHFFFAOYSA-N 0 0 490.676 4.743 40 0 JJABRN C[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223652096 569918979 /nfs/dbraw/zinc/91/89/79/569918979.db2.gz KUYRFWOUAILJJO-HNNXBMFYSA-N 0 0 487.449 4.641 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000223652321 569918995 /nfs/dbraw/zinc/91/89/95/569918995.db2.gz BDAYLGGMTKQKHG-RLWLMLJZSA-N 0 0 462.565 4.759 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 ZINC000223653223 569919053 /nfs/dbraw/zinc/91/90/53/569919053.db2.gz SLXZESBQRMQHHQ-ZBLYBZFDSA-N 0 0 492.591 4.768 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223663105 569919352 /nfs/dbraw/zinc/91/93/52/569919352.db2.gz XKGLYGCBLVQXLM-QHCPKHFHSA-N 0 0 454.611 4.721 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223662460 569919388 /nfs/dbraw/zinc/91/93/88/569919388.db2.gz YVZNLSHFFPXXTL-JOCHJYFZSA-N 0 0 461.002 4.758 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223666126 569919406 /nfs/dbraw/zinc/91/94/06/569919406.db2.gz GVGASIFGEYOSMW-JWQCQUIFSA-N 0 0 456.571 4.561 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223665356 569919419 /nfs/dbraw/zinc/91/94/19/569919419.db2.gz GSVPBEQDSLGCOK-JOCHJYFZSA-N 0 0 460.615 4.790 40 0 JJABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223667491 569919482 /nfs/dbraw/zinc/91/94/82/569919482.db2.gz GXUYVSCBVXCWLD-SFTDATJTSA-N 0 0 486.391 4.640 40 0 JJABRN Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000223671302 569919576 /nfs/dbraw/zinc/91/95/76/569919576.db2.gz XOECTTCEFYAIMU-UHFFFAOYSA-N 0 0 480.630 4.683 40 0 JJABRN CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223673336 569919647 /nfs/dbraw/zinc/91/96/47/569919647.db2.gz MRTRVUVIWSEXAS-UHFFFAOYSA-N 0 0 484.593 4.514 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C ZINC000223678839 569919787 /nfs/dbraw/zinc/91/97/87/569919787.db2.gz LTXVPTFDVQSRMV-ZEQRLZLVSA-N 0 0 483.037 4.987 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 ZINC000223696247 569920253 /nfs/dbraw/zinc/92/02/53/569920253.db2.gz JVEFBJQXNFSWSK-JIPXPUAJSA-N 0 0 476.592 4.932 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000223701847 569920447 /nfs/dbraw/zinc/92/04/47/569920447.db2.gz KIMHOJPLZJSUQG-SFTDATJTSA-N 0 0 486.391 4.640 40 0 JJABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 ZINC000223703942 569920502 /nfs/dbraw/zinc/92/05/02/569920502.db2.gz AJEPECXOLFURNO-FCHUYYIVSA-N 0 0 455.967 4.839 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F ZINC000223704905 569920508 /nfs/dbraw/zinc/92/05/08/569920508.db2.gz WNWVORBONQBVHB-CJFMBICVSA-N 0 0 480.555 4.898 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223705724 569920588 /nfs/dbraw/zinc/92/05/88/569920588.db2.gz MWXCLQMIBMSVSZ-QFIPXVFZSA-N 0 0 489.454 4.901 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223723920 569921178 /nfs/dbraw/zinc/92/11/78/569921178.db2.gz UMMHJKMEGZOFDP-UHFFFAOYSA-N 0 0 489.572 4.954 40 0 JJABRN C[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223724225 569921194 /nfs/dbraw/zinc/92/11/94/569921194.db2.gz DZOGHAIJGCNWGX-OAHLLOKOSA-N 0 0 487.449 4.641 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223726071 569921269 /nfs/dbraw/zinc/92/12/69/569921269.db2.gz VBWSKWFAEDHTAS-NRFANRHFSA-N 0 0 481.058 4.686 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223729493 569921389 /nfs/dbraw/zinc/92/13/89/569921389.db2.gz RACUKBUBHFRPRP-NRFANRHFSA-N 0 0 460.640 4.922 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000223729654 569921432 /nfs/dbraw/zinc/92/14/32/569921432.db2.gz LOXKTDPRXFAESK-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 ZINC000223731792 569921489 /nfs/dbraw/zinc/92/14/89/569921489.db2.gz KORGTODOSLZJBA-FCHUYYIVSA-N 0 0 499.434 4.561 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223732002 569921508 /nfs/dbraw/zinc/92/15/08/569921508.db2.gz UPWBWQUJZCRKMA-UHFFFAOYSA-N 0 0 498.670 4.670 40 0 JJABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223734700 569921584 /nfs/dbraw/zinc/92/15/84/569921584.db2.gz ILWWTBLQNYZJPV-FTJBHMTQSA-N 0 0 470.598 4.951 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cccc(COC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223736955 569921602 /nfs/dbraw/zinc/92/16/02/569921602.db2.gz AKVUPVUWARPFKO-UHFFFAOYSA-N 0 0 488.993 4.719 40 0 JJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br ZINC000223744575 569921924 /nfs/dbraw/zinc/92/19/24/569921924.db2.gz WEBOIJWHCZAROL-MRXNPFEDSA-N 0 0 493.829 4.957 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000223748611 569921973 /nfs/dbraw/zinc/92/19/73/569921973.db2.gz NSWDXXURDCKCOX-UHFFFAOYSA-N 0 0 471.582 4.891 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223750875 569922124 /nfs/dbraw/zinc/92/21/24/569922124.db2.gz XXEUYLUTJYRBDI-ZBLYBZFDSA-N 0 0 476.592 4.932 40 0 JJABRN Cc1ccc(OCCNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000223750957 569922153 /nfs/dbraw/zinc/92/21/53/569922153.db2.gz WTZQDBGWSRIRBP-UHFFFAOYSA-N 0 0 487.021 4.732 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000223759541 569922372 /nfs/dbraw/zinc/92/23/72/569922372.db2.gz SGKJPMUBMGUFJH-NLFFAJNJSA-N 0 0 480.555 4.898 40 0 JJABRN C[C@H](CNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccccc1 ZINC000223759774 569922376 /nfs/dbraw/zinc/92/23/76/569922376.db2.gz URINPSCMQQXCMF-GOSISDBHSA-N 0 0 456.995 4.840 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223764132 569922517 /nfs/dbraw/zinc/92/25/17/569922517.db2.gz LONVNWHJYKZAIH-HHHXNRCGSA-N 0 0 458.602 4.631 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223764188 569922522 /nfs/dbraw/zinc/92/25/22/569922522.db2.gz LONVNWHJYKZAIH-MHZLTWQESA-N 0 0 458.602 4.631 40 0 JJABRN CCc1ccc(OCCNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223771416 569922767 /nfs/dbraw/zinc/92/27/67/569922767.db2.gz FSARBBZTPQMBNS-UHFFFAOYSA-N 0 0 480.630 4.565 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H](C)c2ccccc2)c2cccc(C)c2C)cc1 ZINC000223770909 569922771 /nfs/dbraw/zinc/92/27/71/569922771.db2.gz URJHQJKWQQCRMX-OAQYLSRUSA-N 0 0 450.604 4.727 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1F ZINC000223775005 569922933 /nfs/dbraw/zinc/92/29/33/569922933.db2.gz KINNHSIIVDBYJA-AREMUKBSSA-N 0 0 494.632 4.844 40 0 JJABRN C[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223779190 569923042 /nfs/dbraw/zinc/92/30/42/569923042.db2.gz SZZYZGKKTFNVME-GOSISDBHSA-N 0 0 472.994 4.646 40 0 JJABRN CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O ZINC000223785066 569923245 /nfs/dbraw/zinc/92/32/45/569923245.db2.gz KHPCTVWMIWZFNR-UHFFFAOYSA-N 0 0 482.602 4.564 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223808542 569924015 /nfs/dbraw/zinc/92/40/15/569924015.db2.gz IYTUSPLIAIOEEA-JOCHJYFZSA-N 0 0 473.013 4.768 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223815354 569924187 /nfs/dbraw/zinc/92/41/87/569924187.db2.gz AURMBVXPJFIKNE-JOCHJYFZSA-N 0 0 493.417 4.999 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223822105 569924297 /nfs/dbraw/zinc/92/42/97/569924297.db2.gz NNSKGEMADQNATE-FQEVSTJZSA-N 0 0 487.449 4.857 40 0 JJABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000223825478 569924404 /nfs/dbraw/zinc/92/44/04/569924404.db2.gz SSPPNELELWEDFU-UHFFFAOYSA-N 0 0 480.630 4.759 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c2ccccc2O1 ZINC000223825385 569924408 /nfs/dbraw/zinc/92/44/08/569924408.db2.gz BNZFQTFYXMUVRD-IBGZPJMESA-N 0 0 465.015 4.613 40 0 JJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 ZINC000223831324 569924650 /nfs/dbraw/zinc/92/46/50/569924650.db2.gz JDPFDEIXPORVHW-DQEYMECFSA-N 0 0 455.587 4.902 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1F ZINC000223834316 569924731 /nfs/dbraw/zinc/92/47/31/569924731.db2.gz FGPVQRMBZKFAKL-UHFFFAOYSA-N 0 0 462.930 4.672 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223841375 569924900 /nfs/dbraw/zinc/92/49/00/569924900.db2.gz NCNLNRJGWHGSEU-UHFFFAOYSA-N 0 0 465.015 4.631 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccncc1 ZINC000223847071 569924971 /nfs/dbraw/zinc/92/49/71/569924971.db2.gz BWAZOLGSVIISIN-LOSJGSFVSA-N 0 0 455.587 4.826 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223864644 569925515 /nfs/dbraw/zinc/92/55/15/569925515.db2.gz OJRYWHVQWJXFDK-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000223876311 569925870 /nfs/dbraw/zinc/92/58/70/569925870.db2.gz IQRGINJKTWZCQM-UHFFFAOYSA-N 0 0 486.634 4.763 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccc(C)cc1 ZINC000223889177 569926365 /nfs/dbraw/zinc/92/63/65/569926365.db2.gz WBYJWOCVHQPFET-QGZVFWFLSA-N 0 0 463.441 4.793 40 0 JJABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1cccnc1 ZINC000223890499 569926416 /nfs/dbraw/zinc/92/64/16/569926416.db2.gz XSRRTDCMKXBFSF-RPBOFIJWSA-N 0 0 454.603 4.819 40 0 JJABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 ZINC000223890212 569926421 /nfs/dbraw/zinc/92/64/21/569926421.db2.gz PSRBTWGZUAXSAS-JWQCQUIFSA-N 0 0 454.603 4.570 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223890811 569926422 /nfs/dbraw/zinc/92/64/22/569926422.db2.gz OFJQBHZSRQZNQK-KRWDZBQOSA-N 0 0 493.467 4.634 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223903005 569926724 /nfs/dbraw/zinc/92/67/24/569926724.db2.gz IRKYWHOMDVTCPV-MRXNPFEDSA-N 0 0 479.404 4.857 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223906848 569926856 /nfs/dbraw/zinc/92/68/56/569926856.db2.gz TWHUTDKFQOIUPV-MRXNPFEDSA-N 0 0 467.393 4.714 40 0 JJABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223910524 569927001 /nfs/dbraw/zinc/92/70/01/569927001.db2.gz IURFBKJOOASMPH-IBGZPJMESA-N 0 0 464.603 4.752 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(F)cc2)cc1 ZINC000223910280 569926963 /nfs/dbraw/zinc/92/69/63/569926963.db2.gz BXRDQWCDUYKYDC-UHFFFAOYSA-N 0 0 464.603 4.751 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc(F)cc1 ZINC000223912358 569927014 /nfs/dbraw/zinc/92/70/14/569927014.db2.gz VGGVGMXCFREQSN-AWEZNQCLSA-N 0 0 457.398 4.919 40 0 JJABRN Cc1ccccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223912121 569927022 /nfs/dbraw/zinc/92/70/22/569927022.db2.gz IBLPNUUJJPPZJZ-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccccc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223912715 569927053 /nfs/dbraw/zinc/92/70/53/569927053.db2.gz GVQKCTCJJCZNEL-LJQANCHMSA-N 0 0 456.995 4.764 40 0 JJABRN Cc1cccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223914962 569927160 /nfs/dbraw/zinc/92/71/60/569927160.db2.gz DWFDDMFBXKBPRZ-LJQANCHMSA-N 0 0 456.995 4.764 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(N2CCOCC2)cc1 ZINC000223920213 569927337 /nfs/dbraw/zinc/92/73/37/569927337.db2.gz WKXUPLQYWCLXMQ-NHCUHLMSSA-N 0 0 457.024 4.810 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223920895 569927346 /nfs/dbraw/zinc/92/73/46/569927346.db2.gz VVWRGCRDRKILMB-INIZCTEOSA-N 0 0 481.818 4.733 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223921517 569927417 /nfs/dbraw/zinc/92/74/17/569927417.db2.gz YMQPLVOFOSWQPJ-LJQANCHMSA-N 0 0 475.427 4.697 40 0 JJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2C)c1C ZINC000223921815 569927419 /nfs/dbraw/zinc/92/74/19/569927419.db2.gz XBLABDFEQPVZPK-UHFFFAOYSA-N 0 0 466.603 4.838 40 0 JJABRN CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c1 ZINC000223928490 569927566 /nfs/dbraw/zinc/92/75/66/569927566.db2.gz RBRKDDQGNTXWLP-RPWUZVMVSA-N 0 0 461.635 4.652 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000223946749 569928075 /nfs/dbraw/zinc/92/80/75/569928075.db2.gz KGFSQVPCNCBRDR-XMMPIXPASA-N 0 0 456.652 4.961 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)cc1C ZINC000223947687 569928088 /nfs/dbraw/zinc/92/80/88/569928088.db2.gz GIARBJYFWFGKDG-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2C)cc1C ZINC000223947770 569928119 /nfs/dbraw/zinc/92/81/19/569928119.db2.gz BJDGCFAWIRHSES-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000223947912 569928186 /nfs/dbraw/zinc/92/81/86/569928186.db2.gz YRCACNYFJUZFNE-DEOSSOPVSA-N 0 0 472.651 4.661 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccc(OC)cc1 ZINC000223951131 569928218 /nfs/dbraw/zinc/92/82/18/569928218.db2.gz LSUJARNJRHLYOA-INIZCTEOSA-N 0 0 467.393 4.714 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000223952307 569928259 /nfs/dbraw/zinc/92/82/59/569928259.db2.gz YMGRTGWUCHSVPY-CYBMUJFWSA-N 0 0 488.209 4.688 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 ZINC000223963576 569928607 /nfs/dbraw/zinc/92/86/07/569928607.db2.gz ONVOYOUBIWXHFK-WXVAWEFUSA-N 0 0 474.601 4.629 40 0 JJABRN Cc1nc(NC(=S)NCCCc2ccc(F)cc2)c(Br)cc1Br ZINC000223965758 569928753 /nfs/dbraw/zinc/92/87/53/569928753.db2.gz KYSYJLDTUNTCOP-UHFFFAOYSA-N 0 0 461.198 4.973 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223965712 569928776 /nfs/dbraw/zinc/92/87/76/569928776.db2.gz KHRRKKVUSHINOA-INIZCTEOSA-N 0 0 481.818 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ZINC000225096260 569974782 /nfs/dbraw/zinc/97/47/82/569974782.db2.gz PDOWEXHFQIIGRW-DEOSSOPVSA-N 0 0 464.606 4.913 40 0 JJABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 ZINC000408615835 569974991 /nfs/dbraw/zinc/97/49/91/569974991.db2.gz STTOQWJJNGOWAF-JOCHJYFZSA-N 0 0 455.558 4.533 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000408616255 569975369 /nfs/dbraw/zinc/97/53/69/569975369.db2.gz FLMDELDTFOHUBS-UHFFFAOYSA-N 0 0 491.396 4.938 40 0 JJABRN Cc1c(Cl)cccc1N(CCCC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000225109437 569975536 /nfs/dbraw/zinc/97/55/36/569975536.db2.gz JEGDSRQPJJWBFP-UHFFFAOYSA-N 0 0 457.423 4.597 40 0 JJABRN COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)ccc1NC(=O)C(C)(C)C ZINC000225116493 569975873 /nfs/dbraw/zinc/97/58/73/569975873.db2.gz IIOTYTMUTYXELW-YADHBBJMSA-N 0 0 463.607 4.590 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1Cl ZINC000408617067 569975960 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479.602 4.911 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000408618254 569976646 /nfs/dbraw/zinc/97/66/46/569976646.db2.gz DUPMNQKIGIQXPL-UHFFFAOYSA-N 0 0 493.412 4.973 40 0 JJABRN COc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000225126688 569976703 /nfs/dbraw/zinc/97/67/03/569976703.db2.gz UBSXUOQSODHCEZ-SFHVURJKSA-N 0 0 458.986 4.594 40 0 JJABRN COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225128419 569976899 /nfs/dbraw/zinc/97/68/99/569976899.db2.gz YFYAUQUPQCQZLJ-NDEPHWFRSA-N 0 0 488.628 4.856 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000225132297 569977183 /nfs/dbraw/zinc/97/71/83/569977183.db2.gz HVSXCXBLCIBJOS-HHHXNRCGSA-N 0 0 458.602 4.711 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2OC(C)C)cc1OC ZINC000225135219 569977189 /nfs/dbraw/zinc/97/71/89/569977189.db2.gz VLTAZEBMHKESSI-HKWRFOASSA-N 0 0 466.559 4.962 40 0 JJABRN 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ZINC000408619289 569977288 /nfs/dbraw/zinc/97/72/88/569977288.db2.gz LNDACJJGHTUOAR-UHFFFAOYSA-N 0 0 479.440 4.874 40 0 JJABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S(C)(=O)=O)cc1C ZINC000408620159 569977681 /nfs/dbraw/zinc/97/76/81/569977681.db2.gz NCONQTLJOQRASZ-SFHVURJKSA-N 0 0 485.005 4.981 40 0 JJABRN CC(C)n1c2ccc(NC(=O)c3ccccc3N(Cc3ccccc3)S(C)(=O)=O)cc2sc1=O ZINC000225143384 569977686 /nfs/dbraw/zinc/97/76/86/569977686.db2.gz YBHAKGGYWCGSCO-UHFFFAOYSA-N 0 0 495.626 4.862 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408620237 569977733 /nfs/dbraw/zinc/97/77/33/569977733.db2.gz NMMBNEZQANANBC-QFIPXVFZSA-N 0 0 480.630 4.727 40 0 JJABRN CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1Cl ZINC000225144664 569977773 /nfs/dbraw/zinc/97/77/73/569977773.db2.gz ZWBMQJCDJWKPPO-LEWJYISDSA-N 0 0 453.999 4.845 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000408620818 569977910 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4.631 40 0 JJABRN CCOC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)sc2c1CCC2 ZINC000408623674 569979506 /nfs/dbraw/zinc/97/95/06/569979506.db2.gz SNOKTWLMNAVKLG-UHFFFAOYSA-N 0 0 498.626 4.556 40 0 JJABRN COc1ccc(OCCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000225166865 569979639 /nfs/dbraw/zinc/97/96/39/569979639.db2.gz WUHXYXBIQCWHGM-FQEVSTJZSA-N 0 0 470.585 4.860 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1 ZINC000408624324 569979727 /nfs/dbraw/zinc/97/97/27/569979727.db2.gz SIFZSPZEAPJQAF-UHFFFAOYSA-N 0 0 493.412 4.509 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000408624576 569979865 /nfs/dbraw/zinc/97/98/65/569979865.db2.gz SWUNKIWRVCOGPA-UHFFFAOYSA-N 0 0 498.601 4.633 40 0 JJABRN CC(C)OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000408625041 569979977 /nfs/dbraw/zinc/97/99/77/569979977.db2.gz WDRKMYHDLHQOEH-UTNLWQBASA-N 0 0 451.522 4.823 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc21 ZINC000408625148 569980059 /nfs/dbraw/zinc/98/00/59/569980059.db2.gz VQXSSFBNDMUWEL-UHFFFAOYSA-N 0 0 469.994 4.868 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1OC ZINC000225176488 569980306 /nfs/dbraw/zinc/98/03/06/569980306.db2.gz MMTYDVULUITMII-RTWAWAEBSA-N 0 0 452.605 4.986 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1OC ZINC000408625681 569980314 /nfs/dbraw/zinc/98/03/14/569980314.db2.gz TZUIHKGJRMYTDN-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1cc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl ZINC000408625737 569980317 /nfs/dbraw/zinc/98/03/17/569980317.db2.gz XZMVFSSWCGJDKO-UHFFFAOYSA-N 0 0 481.014 4.628 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1OC ZINC000225177480 569980406 /nfs/dbraw/zinc/98/04/06/569980406.db2.gz CGAWHRJNNQMNGY-IZZNHLLZSA-N 0 0 498.612 4.802 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)cc1Cl ZINC000408626264 569980505 /nfs/dbraw/zinc/98/05/05/569980505.db2.gz VNGNPMRMECVCQI-OAHLLOKOSA-N 0 0 471.406 4.740 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1NC(=O)C(C)C ZINC000225184622 569980854 /nfs/dbraw/zinc/98/08/54/569980854.db2.gz DJFHDTXQFKDGMJ-UHFFFAOYSA-N 0 0 464.653 4.658 40 0 JJABRN CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1OC ZINC000225183717 569980881 /nfs/dbraw/zinc/98/08/81/569980881.db2.gz MXKMNRACMOYMDZ-DNQXCXABSA-N 0 0 463.607 4.571 40 0 JJABRN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000408627176 569981064 /nfs/dbraw/zinc/98/10/64/569981064.db2.gz YFXONYYKMPEHTK-UHFFFAOYSA-N 0 0 463.386 4.665 40 0 JJABRN CC(C)[C@H](C)NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000225188295 569981225 /nfs/dbraw/zinc/98/12/25/569981225.db2.gz RAYRKGGALIKSAZ-AWEZNQCLSA-N 0 0 462.921 4.715 40 0 JJABRN CC[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 ZINC000225187447 569981228 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SWNNUQMFTWGNIZ-ZEQRLZLVSA-N 0 0 463.607 4.998 40 0 JJABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000408630113 569982029 /nfs/dbraw/zinc/98/20/29/569982029.db2.gz NUMXEBGOJQLTQU-QFIPXVFZSA-N 0 0 450.604 4.636 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 ZINC000225200547 569982056 /nfs/dbraw/zinc/98/20/56/569982056.db2.gz XCBZNYXCFVFODI-MRXNPFEDSA-N 0 0 481.818 4.815 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000408630154 569982096 /nfs/dbraw/zinc/98/20/96/569982096.db2.gz OJUICJNKDQMWBS-FQEVSTJZSA-N 0 0 484.593 4.557 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1C ZINC000408630855 569982575 /nfs/dbraw/zinc/98/25/75/569982575.db2.gz XCEIBVHBTOZQHB-UHFFFAOYSA-N 0 0 491.613 4.983 40 0 JJABRN CCc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1 ZINC000408630872 569982628 /nfs/dbraw/zinc/98/26/28/569982628.db2.gz XJYURAMMDOKMHS-UHFFFAOYSA-N 0 0 452.620 4.529 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000225214367 569983051 /nfs/dbraw/zinc/98/30/51/569983051.db2.gz HQLCYKSMBYMJRH-UHFFFAOYSA-N 0 0 466.603 4.550 40 0 JJABRN COC(=O)c1cc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl ZINC000225220347 569983307 /nfs/dbraw/zinc/98/33/07/569983307.db2.gz ZQDPVGKHVNBOBX-UHFFFAOYSA-N 0 0 468.811 4.645 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000225221133 569983386 /nfs/dbraw/zinc/98/33/86/569983386.db2.gz MTFPHKKZWFHCBP-IBGZPJMESA-N 0 0 475.427 4.778 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 ZINC000225221452 569983422 /nfs/dbraw/zinc/98/34/22/569983422.db2.gz UYNULYHSQUHRGQ-KAYWLYCHSA-N 0 0 497.624 4.943 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000225221090 569983427 /nfs/dbraw/zinc/98/34/27/569983427.db2.gz MTFPHKKZWFHCBP-LJQANCHMSA-N 0 0 475.427 4.778 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000225222235 569983553 /nfs/dbraw/zinc/98/35/53/569983553.db2.gz USXQFNIWCCLXQU-LJQANCHMSA-N 0 0 459.428 4.942 40 0 JJABRN COc1cc(CN2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC ZINC000225223163 569983638 /nfs/dbraw/zinc/98/36/38/569983638.db2.gz JJVLRJIKAVDQQV-UHFFFAOYSA-N 0 0 470.422 4.534 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(CC)cc1 ZINC000225223843 569983670 /nfs/dbraw/zinc/98/36/70/569983670.db2.gz ZRXVYWGJUKZFQX-GOSISDBHSA-N 0 0 475.427 4.724 40 0 JJABRN Cc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000225225801 569983844 /nfs/dbraw/zinc/98/38/44/569983844.db2.gz VHTVJZOLZCUFDT-UHFFFAOYSA-N 0 0 450.604 4.636 40 0 JJABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F ZINC000225227045 569984008 /nfs/dbraw/zinc/98/40/08/569984008.db2.gz NPNNOPYPVAJRIT-KRWDZBQOSA-N 0 0 475.402 4.997 40 0 JJABRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl ZINC000225232749 569984536 /nfs/dbraw/zinc/98/45/36/569984536.db2.gz IPOBAOXWFKIGIC-VQTJNVASSA-N 0 0 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FQLVGJZXLHVLRD-PXDATVDWSA-N 0 0 454.611 4.885 40 0 JJABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Br)cc1 ZINC000225576139 570006896 /nfs/dbraw/zinc/00/68/96/570006896.db2.gz OOELCBCNHMUDDJ-MRXNPFEDSA-N 0 0 481.431 4.763 40 0 JJABRN COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)c1 ZINC000408670138 570006940 /nfs/dbraw/zinc/00/69/40/570006940.db2.gz ICVDIAWONYGIEK-UHFFFAOYSA-N 0 0 481.302 4.519 40 0 JJABRN COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000408670353 570007045 /nfs/dbraw/zinc/00/70/45/570007045.db2.gz ZMSYBEJWTMQTFE-SNYIIPAISA-N 0 0 495.572 4.886 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000225579579 570007156 /nfs/dbraw/zinc/00/71/56/570007156.db2.gz WVOACGOGBZXNCJ-NFBKMPQASA-N 0 0 454.611 4.667 40 0 JJABRN Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408670745 570007280 /nfs/dbraw/zinc/00/72/80/570007280.db2.gz YHMDJPIWELRRSU-XWYWGPMTSA-N 0 0 491.374 4.527 40 0 JJABRN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 ZINC000408671735 570007935 /nfs/dbraw/zinc/00/79/35/570007935.db2.gz ZZYXWPFPIDBUTR-FSPWUOQZSA-N 0 0 489.355 4.715 40 0 JJABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)c1C ZINC000225589100 570008044 /nfs/dbraw/zinc/00/80/44/570008044.db2.gz FHTMEFBHVDWCCL-ZEQRLZLVSA-N 0 0 465.598 4.660 40 0 JJABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(OC)c(C)c1 ZINC000225591495 570008328 /nfs/dbraw/zinc/00/83/28/570008328.db2.gz FGQGYMHNNYJGJW-HSZRJFAPSA-N 0 0 470.566 4.606 40 0 JJABRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@@H]2C1=O ZINC000408672657 570008346 /nfs/dbraw/zinc/00/83/46/570008346.db2.gz VSETWWWEVVDDLY-ZSXHRAQDSA-N 0 0 494.975 4.533 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F ZINC000225594306 570008391 /nfs/dbraw/zinc/00/83/91/570008391.db2.gz HANYFMCXTUZKJV-VWLOTQADSA-N 0 0 464.606 4.753 40 0 JJABRN Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCSC2CCCC2)cc1)S(C)(=O)=O ZINC000225594418 570008395 /nfs/dbraw/zinc/00/83/95/570008395.db2.gz IJXINHJHZYFVIJ-UHFFFAOYSA-N 0 0 460.665 4.675 40 0 JJABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(F)cc1 ZINC000225595717 570008468 /nfs/dbraw/zinc/00/84/68/570008468.db2.gz QTBGLNSSFBSNSC-PKTZIBPZSA-N 0 0 451.571 4.604 40 0 JJABRN Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000408673854 570008842 /nfs/dbraw/zinc/00/88/42/570008842.db2.gz XVHFDZZRATWLGV-MISYRCLQSA-N 0 0 494.975 4.595 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225609119 570009046 /nfs/dbraw/zinc/00/90/46/570009046.db2.gz UJRUTXSCDUOCHF-MRXNPFEDSA-N 0 0 451.394 4.877 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1C ZINC000225607240 570008984 /nfs/dbraw/zinc/00/89/84/570008984.db2.gz PUCRZDHHKIDWIZ-QGZVFWFLSA-N 0 0 451.394 4.931 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(C)c2)cc1 ZINC000408674610 570009205 /nfs/dbraw/zinc/00/92/05/570009205.db2.gz CKZJSSIZZGVGDA-UHFFFAOYSA-N 0 0 454.548 4.520 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000225610234 570009291 /nfs/dbraw/zinc/00/92/91/570009291.db2.gz BCYLJWNRNOLTTB-QHCPKHFHSA-N 0 0 455.385 4.922 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 ZINC000225610688 570009304 /nfs/dbraw/zinc/00/93/04/570009304.db2.gz FONQWVBOFWQHCQ-UWJYYQICSA-N 0 0 458.986 4.723 40 0 JJABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000225612250 570009564 /nfs/dbraw/zinc/00/95/64/570009564.db2.gz HOXSIIOCDMOGGT-AWEZNQCLSA-N 0 0 457.785 4.968 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(C)c2)cc1C ZINC000408674852 570009563 /nfs/dbraw/zinc/00/95/63/570009563.db2.gz KBXGWCKDZNSEMR-UHFFFAOYSA-N 0 0 472.994 4.761 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c2)cc1 ZINC000408674868 570009611 /nfs/dbraw/zinc/00/96/11/570009611.db2.gz LCCDMGOSBUDMGX-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1F ZINC000225616129 570009922 /nfs/dbraw/zinc/00/99/22/570009922.db2.gz METGFVMUNZRMHF-DHIUTWEWSA-N 0 0 451.571 4.604 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)c(C)c1 ZINC000225630909 570010868 /nfs/dbraw/zinc/01/08/68/570010868.db2.gz MCJGCCMCVYEOFU-KRWDZBQOSA-N 0 0 451.394 4.931 40 0 JJABRN CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000408675344 570010136 /nfs/dbraw/zinc/01/01/36/570010136.db2.gz WEWHCWNLZGVRMJ-UHFFFAOYSA-N 0 0 468.575 4.829 40 0 JJABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000408675343 570010150 /nfs/dbraw/zinc/01/01/50/570010150.db2.gz HTMZKPRTKHRVPA-UHFFFAOYSA-N 0 0 483.568 4.545 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000225618794 570010183 /nfs/dbraw/zinc/01/01/83/570010183.db2.gz GXYPDBNTCXGGDE-HSZRJFAPSA-N 0 0 455.385 4.922 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(C)c2)cc1 ZINC000408675449 570010344 /nfs/dbraw/zinc/01/03/44/570010344.db2.gz ZNWNDJUJJXLVKW-UHFFFAOYSA-N 0 0 468.575 4.829 40 0 JJABRN Cc1ccc(C)c(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)c1 ZINC000225624370 570010460 /nfs/dbraw/zinc/01/04/60/570010460.db2.gz BEEISVRPDPGBDN-SVBPBHIXSA-N 0 0 496.640 4.885 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408675653 570010470 /nfs/dbraw/zinc/01/04/70/570010470.db2.gz KIHRNRQTDIGVGR-UHFFFAOYSA-N 0 0 457.379 4.865 40 0 JJABRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Cl ZINC000225625803 570010552 /nfs/dbraw/zinc/01/05/52/570010552.db2.gz RZZSVDLHUULPHE-AWEZNQCLSA-N 0 0 457.785 4.968 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000225634521 570011237 /nfs/dbraw/zinc/01/12/37/570011237.db2.gz CYXXSKMWRXUWOL-SANMLTNESA-N 0 0 495.019 4.894 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)NC)cc1 ZINC000225636213 570011325 /nfs/dbraw/zinc/01/13/25/570011325.db2.gz RWZKLMYAUAQNIL-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408679194 570011572 /nfs/dbraw/zinc/01/15/72/570011572.db2.gz JAEUIUVDESXRNQ-NRFANRHFSA-N 0 0 450.988 4.701 40 0 JJABRN CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408679000 570011619 /nfs/dbraw/zinc/01/16/19/570011619.db2.gz HLSOHWOJKBXESL-OAQYLSRUSA-N 0 0 454.548 4.601 40 0 JJABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2cccc(C)c2)nc1 ZINC000225642809 570011803 /nfs/dbraw/zinc/01/18/03/570011803.db2.gz KIUMKBOSAMAWAI-KAYWLYCHSA-N 0 0 496.640 4.885 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)NC1CCCCC1 ZINC000408680011 570011973 /nfs/dbraw/zinc/01/19/73/570011973.db2.gz XPNBPXWWTUCPBJ-UHFFFAOYSA-N 0 0 457.379 4.865 40 0 JJABRN Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c1 ZINC000225644550 570012028 /nfs/dbraw/zinc/01/20/28/570012028.db2.gz WJUALHTYPVLDMX-SVBPBHIXSA-N 0 0 496.640 4.636 40 0 JJABRN Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 ZINC000225645275 570012142 /nfs/dbraw/zinc/01/21/42/570012142.db2.gz HHJLSELJQOUSLU-CLJLJLNGSA-N 0 0 485.613 4.834 40 0 JJABRN Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000408680453 570012220 /nfs/dbraw/zinc/01/22/20/570012220.db2.gz GHJJHPVWAQYSFB-PAIGMYNKSA-N 0 0 487.559 4.885 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 ZINC000408680882 570012466 /nfs/dbraw/zinc/01/24/66/570012466.db2.gz SIIOAMDSNIZXBB-UHFFFAOYSA-N 0 0 499.123 4.512 40 0 JJABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccc(Br)cc4)cc3)ccc21 ZINC000408682520 570012916 /nfs/dbraw/zinc/01/29/16/570012916.db2.gz JKOFGDSJCRZANB-UHFFFAOYSA-N 0 0 487.375 4.951 40 0 JJABRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(C(=O)OCC(C)C)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408682623 570012969 /nfs/dbraw/zinc/01/29/69/570012969.db2.gz KVGHHUDAIOJZBQ-XZOQPEGZSA-N 0 0 460.530 4.597 40 0 JJABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000225659694 570013125 /nfs/dbraw/zinc/01/31/25/570013125.db2.gz LAKUBLXXAFUNNG-RTWAWAEBSA-N 0 0 473.023 4.806 40 0 JJABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000225664120 570013279 /nfs/dbraw/zinc/01/32/79/570013279.db2.gz CQUYOIBBZXVIPK-BJKOFHAPSA-N 0 0 477.634 4.648 40 0 JJABRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4)cc3)C(=O)[C@H]2C1 ZINC000408683854 570013360 /nfs/dbraw/zinc/01/33/60/570013360.db2.gz NQBBNXHKAZVDGA-RPBOFIJWSA-N 0 0 485.584 4.657 40 0 JJABRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C(=O)N5CCC(C)CC5)c4)c3)C(=O)[C@@H]2C1 ZINC000408684126 570013362 /nfs/dbraw/zinc/01/33/62/570013362.db2.gz OFISHXFCBZPVIH-JWQCQUIFSA-N 0 0 485.584 4.657 40 0 JJABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2OC)c1C ZINC000225664616 570013429 /nfs/dbraw/zinc/01/34/29/570013429.db2.gz FZRDAABHPLWFLS-DQEYMECFSA-N 0 0 477.634 4.530 40 0 JJABRN CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000225666794 570013514 /nfs/dbraw/zinc/01/35/14/570013514.db2.gz GJRWDFGQDCBPEO-SFHVURJKSA-N 0 0 477.992 4.643 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c2ccccc2O1 ZINC000225673914 570013856 /nfs/dbraw/zinc/01/38/56/570013856.db2.gz IEIXCNONFKYVRU-QFIPXVFZSA-N 0 0 472.651 4.949 40 0 JJABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1Cl ZINC000225676766 570014031 /nfs/dbraw/zinc/01/40/31/570014031.db2.gz XGMDEOJDZHPZRP-HNNXBMFYSA-N 0 0 455.357 4.701 40 0 JJABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)s2)cc1 ZINC000225678008 570014056 /nfs/dbraw/zinc/01/40/56/570014056.db2.gz ZFFCZJYIUIPVHR-UHFFFAOYSA-N 0 0 464.572 4.875 40 0 JJABRN COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 ZINC000225677368 570014125 /nfs/dbraw/zinc/01/41/25/570014125.db2.gz XZTWGYXEURLZEM-SXOMAYOGSA-N 0 0 497.624 4.882 40 0 JJABRN COc1ccc(CN(C(=O)CCCN2c3cccc4cccc(c34)C2=O)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225678757 570014227 /nfs/dbraw/zinc/01/42/27/570014227.db2.gz GNGDQGSDNBZDOJ-FQEVSTJZSA-N 0 0 487.600 4.531 40 0 JJABRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000225683829 570014361 /nfs/dbraw/zinc/01/43/61/570014361.db2.gz YCHIXQADFCSEFO-BJKOFHAPSA-N 0 0 461.635 4.948 40 0 JJABRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccco1 ZINC000225683560 570014378 /nfs/dbraw/zinc/01/43/78/570014378.db2.gz DLKIVBCPMZBFCN-UIOOFZCWSA-N 0 0 485.613 4.834 40 0 JJABRN Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000225682985 570014399 /nfs/dbraw/zinc/01/43/99/570014399.db2.gz UULSWIIOSVELEA-SVBPBHIXSA-N 0 0 496.640 4.636 40 0 JJABRN C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 ZINC000408688448 570014581 /nfs/dbraw/zinc/01/45/81/570014581.db2.gz WIDWGAGXVCTUJT-WNYOCNMUSA-N 0 0 487.781 4.857 40 0 JJABRN CCn1c2ccc(S(=O)(=O)NCCSCc3ccc(Cl)cc3Cl)cc2sc1=O ZINC000225689447 570014803 /nfs/dbraw/zinc/01/48/03/570014803.db2.gz NBLIZARUQXRBFS-UHFFFAOYSA-N 0 0 477.460 4.601 40 0 JJABRN O=C(NCc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 ZINC000408692833 570015639 /nfs/dbraw/zinc/01/56/39/570015639.db2.gz WKWMYBAXFOXCBD-UHFFFAOYSA-N 0 0 451.299 4.766 40 0 JJABRN Cc1ccc(N(CCCC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)cc1C ZINC000225699300 570015861 /nfs/dbraw/zinc/01/58/61/570015861.db2.gz CXRPPQRDJWIRMI-UHFFFAOYSA-N 0 0 490.676 4.632 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000408693334 570015985 /nfs/dbraw/zinc/01/59/85/570015985.db2.gz ORDMNZAHMYQBAH-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1cccc2ccccc21 ZINC000225702161 570016028 /nfs/dbraw/zinc/01/60/28/570016028.db2.gz PJYUZLSDHXUUJK-KAYWLYCHSA-N 0 0 499.640 4.684 40 0 JJABRN Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1cccc2ccccc21 ZINC000225708996 570016465 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BWYGOHXEGGNMKG-MHZLTWQESA-N 0 0 457.553 4.596 40 0 JJABRN Cc1nccn1Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000257212266 570111711 /nfs/dbraw/zinc/11/17/11/570111711.db2.gz CCOWRNBXRFRDLC-DEOSSOPVSA-N 0 0 470.552 4.786 40 0 JJABRN Cc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000409056967 570112251 /nfs/dbraw/zinc/11/22/51/570112251.db2.gz FTQDQMHCZKMOTN-UHFFFAOYSA-N 0 0 460.958 4.926 40 0 JJABRN Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)C(C)C)c1 ZINC000409057387 570112399 /nfs/dbraw/zinc/11/23/99/570112399.db2.gz PCLJQDFNOIZBDC-NRFANRHFSA-N 0 0 486.041 4.943 40 0 JJABRN COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OC)ccc2ccc(OC)cc21 ZINC000409059078 570113175 /nfs/dbraw/zinc/11/31/75/570113175.db2.gz QUBIPIHBJAXEEC-BKUYFWCQSA-N 0 0 496.972 4.658 40 0 JJABRN CC(=O)c1cccc(NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000409059211 570113252 /nfs/dbraw/zinc/11/32/52/570113252.db2.gz VKHDHRBPZUXSFR-UHFFFAOYSA-N 0 0 470.978 4.681 40 0 JJABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000409059555 570113381 /nfs/dbraw/zinc/11/33/81/570113381.db2.gz SCJTXFTYNOFDCB-UHFFFAOYSA-N 0 0 478.405 4.574 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409059566 570113418 /nfs/dbraw/zinc/11/34/18/570113418.db2.gz QSBZKNJYLUXIDY-UHFFFAOYSA-N 0 0 469.434 4.942 40 0 JJABRN Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5ccoc5c4)C3)c2)nc(C)n1 ZINC000257218239 570113590 /nfs/dbraw/zinc/11/35/90/570113590.db2.gz DCJCEGXQHKTSFH-OAQYLSRUSA-N 0 0 456.546 4.915 40 0 JJABRN COc1cccc(OC)c1OCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257218958 570113933 /nfs/dbraw/zinc/11/39/33/570113933.db2.gz DFACIBMEXPGUBG-GOSISDBHSA-N 0 0 470.953 4.721 40 0 JJABRN CC(C)(C)OC(=O)N1CCC[C@H](c2nn(S(=O)(=O)c3ccccc3)cc2-c2ccc(C=O)cc2)C1 ZINC000257219109 570113937 /nfs/dbraw/zinc/11/39/37/570113937.db2.gz DFPIEXIGNVKQTQ-NRFANRHFSA-N 0 0 495.601 4.714 40 0 JJABRN Cc1cncc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CCCCC3)CC2)c1 ZINC000257219592 570114058 /nfs/dbraw/zinc/11/40/58/570114058.db2.gz DHIMEGMDZMCINU-UHFFFAOYSA-N 0 0 470.013 4.747 40 0 JJABRN Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@@H](Cc3cccc4ncccc34)C2)c1 ZINC000257220869 570114454 /nfs/dbraw/zinc/11/44/54/570114454.db2.gz DMNQMDPLWRYUHG-NRFANRHFSA-N 0 0 471.557 4.750 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000409061693 570114601 /nfs/dbraw/zinc/11/46/01/570114601.db2.gz ZYAAEVXXSBEWLC-QFIPXVFZSA-N 0 0 465.623 4.773 40 0 JJABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000257221761 570114635 /nfs/dbraw/zinc/11/46/35/570114635.db2.gz DQKQGAYFXYZJDQ-UHFFFAOYSA-N 0 0 457.509 4.673 40 0 JJABRN CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000409062558 570115078 /nfs/dbraw/zinc/11/50/78/570115078.db2.gz WSODDQMOWLJWDK-UHFFFAOYSA-N 0 0 466.603 4.840 40 0 JJABRN CCOc1c(Br)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000409064743 570115968 /nfs/dbraw/zinc/11/59/68/570115968.db2.gz FAQYTQMTSIQKRJ-OVCLIPMQSA-N 0 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570194379 /nfs/dbraw/zinc/19/43/79/570194379.db2.gz UWXOGTHYVFMVMA-UHFFFAOYSA-N 0 0 452.576 4.899 40 0 JJABRN Cc1cc(C)cc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000408549081 570194494 /nfs/dbraw/zinc/19/44/94/570194494.db2.gz WQRCXBXKTXEROA-MRXNPFEDSA-N 0 0 489.490 4.814 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1Cl ZINC000408550201 570194863 /nfs/dbraw/zinc/19/48/63/570194863.db2.gz BHTZRHMRCVOXQT-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)c1ccccc1 ZINC000408552024 570195348 /nfs/dbraw/zinc/19/53/48/570195348.db2.gz NKQFEKKDVWCGQF-UHFFFAOYSA-N 0 0 461.337 4.511 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3Cl)C2)c(C)c1 ZINC000408552657 570195648 /nfs/dbraw/zinc/19/56/48/570195648.db2.gz MNQDLWLLHFJQRE-MRXNPFEDSA-N 0 0 455.407 4.958 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)c1ccccc1F ZINC000408552919 570195679 /nfs/dbraw/zinc/19/56/79/570195679.db2.gz SIJWKKUFMYVEQF-UHFFFAOYSA-N 0 0 479.327 4.650 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)cc1C ZINC000408554630 570196481 /nfs/dbraw/zinc/19/64/81/570196481.db2.gz CWRXSLNCAVGFDP-HXUWFJFHSA-N 0 0 458.624 4.865 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc(F)c1 ZINC000408555297 570196686 /nfs/dbraw/zinc/19/66/86/570196686.db2.gz AFCCKBPIPOUAAT-UHFFFAOYSA-N 0 0 468.428 4.663 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1C ZINC000408555771 570197108 /nfs/dbraw/zinc/19/71/08/570197108.db2.gz GEMWHTOMZLFUJH-UHFFFAOYSA-N 0 0 458.624 4.865 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)c(C)c1 ZINC000408556071 570197225 /nfs/dbraw/zinc/19/72/25/570197225.db2.gz ZFWDZBWXEZUPLC-INIZCTEOSA-N 0 0 455.407 4.958 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000408558046 570198702 /nfs/dbraw/zinc/19/87/02/570198702.db2.gz IBWGNMILJQFDOV-UHFFFAOYSA-N 0 0 480.586 4.917 40 0 JJABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000409309767 570198908 /nfs/dbraw/zinc/19/89/08/570198908.db2.gz MDYJSEIYWNKNCC-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409309843 570198969 /nfs/dbraw/zinc/19/89/69/570198969.db2.gz NEWWJJAFMHYHMW-UHFFFAOYSA-N 0 0 464.465 4.548 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccc1 ZINC000408558421 570198985 /nfs/dbraw/zinc/19/89/85/570198985.db2.gz RRVGUXCOYYGPSZ-UHFFFAOYSA-N 0 0 450.438 4.767 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558533 570199074 /nfs/dbraw/zinc/19/90/74/570199074.db2.gz RUPZLQWTMMISAJ-UHFFFAOYSA-N 0 0 452.866 4.680 40 0 JJABRN COC(=O)c1cc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1Cl ZINC000409311251 570199124 /nfs/dbraw/zinc/19/91/24/570199124.db2.gz YZGYZOQLWOFKEH-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1C ZINC000408560039 570200096 /nfs/dbraw/zinc/20/00/96/570200096.db2.gz ZQKLZWSBDWYJHG-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408559991 570200176 /nfs/dbraw/zinc/20/01/76/570200176.db2.gz NYEDDUYMVJDNJV-UHFFFAOYSA-N 0 0 481.357 4.820 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000409318032 570200553 /nfs/dbraw/zinc/20/05/53/570200553.db2.gz SPTTUMIGLPGGAO-UHFFFAOYSA-N 0 0 454.567 4.780 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408560643 570200609 /nfs/dbraw/zinc/20/06/09/570200609.db2.gz DSAVRUJHYNCZIE-UHFFFAOYSA-N 0 0 470.978 4.726 40 0 JJABRN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F ZINC000409318300 570200640 /nfs/dbraw/zinc/20/06/40/570200640.db2.gz YCXWPTJGLSIEHU-UHFFFAOYSA-N 0 0 481.318 4.561 40 0 JJABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000409318286 570200688 /nfs/dbraw/zinc/20/06/88/570200688.db2.gz VJWXKDSOVLDBFC-INIZCTEOSA-N 0 0 457.423 4.798 40 0 JJABRN Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)c1 ZINC000408560918 570200726 /nfs/dbraw/zinc/20/07/26/570200726.db2.gz FRCDASYIYWQXNP-UHFFFAOYSA-N 0 0 470.978 4.807 40 0 JJABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000408561319 570200938 /nfs/dbraw/zinc/20/09/38/570200938.db2.gz HSBARQBEHCXNEG-UHFFFAOYSA-N 0 0 464.587 4.887 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000408562446 570201734 /nfs/dbraw/zinc/20/17/34/570201734.db2.gz POZWOYZESHOHMW-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408562352 570201763 /nfs/dbraw/zinc/20/17/63/570201763.db2.gz ZFNVDCHPIWBJNF-UHFFFAOYSA-N 0 0 490.965 4.566 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2SC)cc1OC ZINC000408562924 570201963 /nfs/dbraw/zinc/20/19/63/570201963.db2.gz GWNZWHBTJYCWBB-UHFFFAOYSA-N 0 0 450.560 4.651 40 0 JJABRN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc(OC)c1OC ZINC000408564231 570202509 /nfs/dbraw/zinc/20/25/09/570202509.db2.gz UAJLHNAMWWLVDL-UHFFFAOYSA-N 0 0 492.553 4.919 40 0 JJABRN CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409327767 570202652 /nfs/dbraw/zinc/20/26/52/570202652.db2.gz MQAWWWKRAXSIJX-WQRHYEAKSA-N 0 0 475.364 4.831 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OC(C)=O ZINC000409328328 570202898 /nfs/dbraw/zinc/20/28/98/570202898.db2.gz SGUPTJRRFOQKQS-LPYMAVHISA-N 0 0 482.558 4.809 40 0 JJABRN COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]32)cc1 ZINC000409330850 570204098 /nfs/dbraw/zinc/20/40/98/570204098.db2.gz ADHHNEYLDBQAHU-DQTXXJETSA-N 0 0 495.531 4.534 40 0 JJABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4cc(C)ccc4C2=C[C@H]3c2ccccc2)cc1 ZINC000409331074 570204182 /nfs/dbraw/zinc/20/41/82/570204182.db2.gz CEINCIKKNYWFPV-WSZJRCBQSA-N 0 0 465.505 4.525 40 0 JJABRN CCC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409330960 570204184 /nfs/dbraw/zinc/20/41/84/570204184.db2.gz BZIDOGLNJFRPAU-MRXNPFEDSA-N 0 0 457.423 4.532 40 0 JJABRN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C(=O)Oc4cc(C)ccc4C2=C[C@@H]3c2ccccc2)cc1 ZINC000409331070 570204201 /nfs/dbraw/zinc/20/42/01/570204201.db2.gz CEINCIKKNYWFPV-MYCYEZBNSA-N 0 0 465.505 4.525 40 0 JJABRN CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000409330957 570204223 /nfs/dbraw/zinc/20/42/23/570204223.db2.gz BZIDOGLNJFRPAU-INIZCTEOSA-N 0 0 457.423 4.532 40 0 JJABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000408572062 570204841 /nfs/dbraw/zinc/20/48/41/570204841.db2.gz GLYHIOLAQGPRHT-DHZHZOJOSA-N 0 0 467.978 4.963 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCc1ccccc1 ZINC000408572955 570205050 /nfs/dbraw/zinc/20/50/50/570205050.db2.gz ATWIMYCJFSFESV-UHFFFAOYSA-N 0 0 495.366 4.895 40 0 JJABRN O=C(Nc1ccc(F)cc1)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Br)ccc21 ZINC000408572914 570205070 /nfs/dbraw/zinc/20/50/70/570205070.db2.gz BTDTUOMDANPXJS-UHFFFAOYSA-N 0 0 495.308 4.504 40 0 JJABRN CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2)cc2cc(Cl)ccc21 ZINC000408573403 570205159 /nfs/dbraw/zinc/20/51/59/570205159.db2.gz BEGXVQRIQWSSLN-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)C=Cc4ccc(-c5ccccc5)o4)c3)nn12 ZINC000408574428 570205422 /nfs/dbraw/zinc/20/54/22/570205422.db2.gz QNCNRHXPEVVGRG-ACCUITESSA-N 0 0 486.582 4.948 40 0 JJABRN CC[C@@H](C)NC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 ZINC000408577629 570206195 /nfs/dbraw/zinc/20/61/95/570206195.db2.gz IUCAFBDOSZSSDD-LLVKDONJSA-N 0 0 481.767 4.839 40 0 JJABRN Cc1ccc(NC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Br)ccc32)cc1 ZINC000408578103 570206216 /nfs/dbraw/zinc/20/62/16/570206216.db2.gz TWFOUGSCRQFMOA-UHFFFAOYSA-N 0 0 491.345 4.673 40 0 JJABRN CCOc1ccccc1NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(C)c2)cc2cc(Cl)ccc21 ZINC000408578070 570206251 /nfs/dbraw/zinc/20/62/51/570206251.db2.gz KFUZKYFNGOAXCR-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN 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ZINC000408582760 570207124 /nfs/dbraw/zinc/20/71/24/570207124.db2.gz XKYOBCXBBFJLBF-INIZCTEOSA-N 0 0 490.947 4.503 40 0 JJABRN CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000408583722 570207364 /nfs/dbraw/zinc/20/73/64/570207364.db2.gz JGYAZDCEJFWAPB-UHFFFAOYSA-N 0 0 450.604 4.602 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1Cl ZINC000408583778 570207414 /nfs/dbraw/zinc/20/74/14/570207414.db2.gz KAGSAZSBLTZMHU-UHFFFAOYSA-N 0 0 472.994 4.931 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1Cl ZINC000408584025 570207454 /nfs/dbraw/zinc/20/74/54/570207454.db2.gz LFJGUNOEMPGFIE-UHFFFAOYSA-N 0 0 477.026 4.546 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000408584454 570207563 /nfs/dbraw/zinc/20/75/63/570207563.db2.gz PWGULUAUYAFQAI-KRWDZBQOSA-N 0 0 458.967 4.705 40 0 JJABRN Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000408584384 570207568 /nfs/dbraw/zinc/20/75/68/570207568.db2.gz PCTPSOWFLFPJDZ-JOCHJYFZSA-N 0 0 487.419 4.594 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NC(c3ccccc3)c3ccccc3)C2)c(C)c1 ZINC000408584624 570207664 /nfs/dbraw/zinc/20/76/64/570207664.db2.gz SCZKGTQVWQBTPE-VWLOTQADSA-N 0 0 476.642 4.918 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408584781 570207734 /nfs/dbraw/zinc/20/77/34/570207734.db2.gz UZKKBUXRZCXCMZ-VXKWHMMOSA-N 0 0 464.631 4.796 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1Cl ZINC000408584860 570207751 /nfs/dbraw/zinc/20/77/51/570207751.db2.gz VZNCNQHFIJDYFK-UHFFFAOYSA-N 0 0 465.015 4.902 40 0 JJABRN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000408584933 570207775 /nfs/dbraw/zinc/20/77/75/570207775.db2.gz WTOWCRNJFJSAIO-QFIPXVFZSA-N 0 0 487.419 4.594 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)Cc2ccccc2)cc1Cl ZINC000408584918 570207797 /nfs/dbraw/zinc/20/77/97/570207797.db2.gz WOGJVWCTWCQFHK-UHFFFAOYSA-N 0 0 472.994 4.795 40 0 JJABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408584867 570207800 /nfs/dbraw/zinc/20/78/00/570207800.db2.gz WBJXJUBVYUDGOT-UHFFFAOYSA-N 0 0 485.005 4.831 40 0 JJABRN CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000408585275 570207899 /nfs/dbraw/zinc/20/78/99/570207899.db2.gz YJPWXLDCBGHUMC-UHFFFAOYSA-N 0 0 450.988 4.702 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl ZINC000408585274 570207922 /nfs/dbraw/zinc/20/79/22/570207922.db2.gz YJFMBULEWIBMHF-LJQANCHMSA-N 0 0 499.032 4.608 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408585229 570207933 /nfs/dbraw/zinc/20/79/33/570207933.db2.gz XXRISSKYAVFPBZ-UHFFFAOYSA-N 0 0 479.385 4.798 40 0 JJABRN CCC[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408586181 570208122 /nfs/dbraw/zinc/20/81/22/570208122.db2.gz APJVXDROIJLJDN-INIZCTEOSA-N 0 0 472.529 4.523 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000408586315 570208176 /nfs/dbraw/zinc/20/81/76/570208176.db2.gz MTQFJDGKQHNNTC-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408586733 570208227 /nfs/dbraw/zinc/20/82/27/570208227.db2.gz BPNMTNKPVCSWQW-UHFFFAOYSA-N 0 0 492.956 4.639 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000408587047 570208251 /nfs/dbraw/zinc/20/82/51/570208251.db2.gz BCGMORREKKEXOH-UHFFFAOYSA-N 0 0 496.482 4.996 40 0 JJABRN CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408587272 570208349 /nfs/dbraw/zinc/20/83/49/570208349.db2.gz BINWKUQPVNAIFT-NRFANRHFSA-N 0 0 491.396 4.724 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000408588438 570208564 /nfs/dbraw/zinc/20/85/64/570208564.db2.gz CSPOSAOXVGZWOS-HNNXBMFYSA-N 0 0 455.967 4.773 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408588884 570208640 /nfs/dbraw/zinc/20/86/40/570208640.db2.gz ZXJNEIAQLROKIR-UHFFFAOYSA-N 0 0 488.993 4.820 40 0 JJABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000408589850 570208890 /nfs/dbraw/zinc/20/88/90/570208890.db2.gz FVUZFMLWLRLHQE-JOCHJYFZSA-N 0 0 480.630 4.617 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Cl)c1 ZINC000408591482 570209258 /nfs/dbraw/zinc/20/92/58/570209258.db2.gz JDVNTMRQAHHKAV-UHFFFAOYSA-N 0 0 485.311 4.718 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)cc1C ZINC000408592877 570209558 /nfs/dbraw/zinc/20/95/58/570209558.db2.gz MEWDEFMIWURHBD-CQSZACIVSA-N 0 0 490.931 4.715 40 0 JJABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593233 570209664 /nfs/dbraw/zinc/20/96/64/570209664.db2.gz PSWCZNNAMWVRAH-SFHVURJKSA-N 0 0 458.624 4.828 40 0 JJABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl ZINC000408593159 570209666 /nfs/dbraw/zinc/20/96/66/570209666.db2.gz MUCAIVFGJVYGEJ-UHFFFAOYSA-N 0 0 474.966 4.784 40 0 JJABRN 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ZINC000000879427 193941912 /nfs/dbraw/zinc/94/19/12/193941912.db2.gz WFPFXZMCFUEKFC-OAQYLSRUSA-N 0 0 472.010 4.958 40 0 JJABRN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000879724 193942593 /nfs/dbraw/zinc/94/25/93/193942593.db2.gz NAFGRZPKNQESOD-FQEVSTJZSA-N 0 0 457.983 4.568 40 0 JJABRN COc1ccc(CN(Cc2cc3ccc(OC)cc3[nH]c2=O)C(=S)NC2CCCCC2)cc1 ZINC000000884383 193946516 /nfs/dbraw/zinc/94/65/16/193946516.db2.gz HNMKPICPIKUVCT-UHFFFAOYSA-N 0 0 465.619 4.755 40 0 JJABRN COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000885146 193947591 /nfs/dbraw/zinc/94/75/91/193947591.db2.gz ZWALRRLPMWZLJA-UHFFFAOYSA-N 0 0 461.543 4.615 40 0 JJABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCc4ccccc43)cc2c1 ZINC000000892975 193952919 /nfs/dbraw/zinc/95/29/19/193952919.db2.gz WAYLQQJFTZCJGT-RUZDIDTESA-N 0 0 470.577 4.571 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCc4ccccc43)cc12 ZINC000000894250 193953211 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CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)cc1 ZINC000012714091 195096471 /nfs/dbraw/zinc/09/64/71/195096471.db2.gz MUOMGYQJFXTQOM-MHZLTWQESA-N 0 0 499.615 4.828 40 0 JJABRN O=C(Nc1ccccc1F)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012710974 195094987 /nfs/dbraw/zinc/09/49/87/195094987.db2.gz CZYUOQRHJMVCJK-UHFFFAOYSA-N 0 0 463.440 4.769 40 0 JJABRN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CCCCC2 ZINC000012850418 195154557 /nfs/dbraw/zinc/15/45/57/195154557.db2.gz NDKZPLDSDGAJAO-LRDDRELGSA-N 0 0 493.511 4.818 40 0 JJABRN CCOC(=O)C1=C(C)N=C2SC[C@@](O)(N(c3ccccc3)C(C)C)N2[C@@H]1c1ccccc1 ZINC000020609292 195182523 /nfs/dbraw/zinc/18/25/23/195182523.db2.gz QHOIHUYGATYQCJ-RCZVLFRGSA-N 0 0 451.592 4.544 40 0 JJABRN COc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)cc(C)c4OC)cc3n2)cc1 ZINC000020610022 195183026 /nfs/dbraw/zinc/18/30/26/195183026.db2.gz LSJIAPWBLNYNBX-UHFFFAOYSA-N 0 0 467.323 4.761 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 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CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)cc2n1 ZINC000057774636 195360308 /nfs/dbraw/zinc/36/03/08/195360308.db2.gz FARVRHNZCUDXJX-ZDUSSCGKSA-N 0 0 459.447 4.869 40 0 JJABRN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc3ccccc32)c1 ZINC000021577326 195315664 /nfs/dbraw/zinc/31/56/64/195315664.db2.gz YDEOUSAXFZTYJK-UHFFFAOYSA-N 0 0 493.563 4.841 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000021577464 195315986 /nfs/dbraw/zinc/31/59/86/195315986.db2.gz QZHOWHGPBINDSL-UHFFFAOYSA-N 0 0 479.433 4.569 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000021578163 195316120 /nfs/dbraw/zinc/31/61/20/195316120.db2.gz ROIKZPUUIAKNSR-UHFFFAOYSA-N 0 0 450.366 4.703 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OCC)cc(OCC)c2)CC1 ZINC000021578095 195316128 /nfs/dbraw/zinc/31/61/28/195316128.db2.gz HMPFVQYUZGOXIB-UHFFFAOYSA-N 0 0 474.001 4.838 40 0 JJABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)c1 ZINC000021579586 195316826 /nfs/dbraw/zinc/31/68/26/195316826.db2.gz DPPXLSSNGRDADO-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(OC)c1 ZINC000021595525 195317903 /nfs/dbraw/zinc/31/79/03/195317903.db2.gz UBPOTLLUZHBNOS-UHFFFAOYSA-N 0 0 451.479 4.778 40 0 JJABRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1 ZINC000021595599 195318037 /nfs/dbraw/zinc/31/80/37/195318037.db2.gz BOPPMGPNNVHNOF-UHFFFAOYSA-N 0 0 460.109 4.850 40 0 JJABRN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000059238530 195395591 /nfs/dbraw/zinc/39/55/91/195395591.db2.gz WNRIRXVFOOZFRY-SANMLTNESA-N 0 0 497.555 4.802 40 0 JJABRN Clc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1 ZINC000059402173 195398770 /nfs/dbraw/zinc/39/87/70/195398770.db2.gz WUHSEYQDFIUWGN-XZOQPEGZSA-N 0 0 452.990 4.607 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc2)cc1 ZINC000059435508 195401956 /nfs/dbraw/zinc/40/19/56/195401956.db2.gz VSRUBOBULJTLCI-UHFFFAOYSA-N 0 0 462.493 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195466746 /nfs/dbraw/zinc/46/67/46/195466746.db2.gz BZBIYWJFDQDVTA-UHFFFAOYSA-N 0 0 452.926 4.522 40 0 JJABRN COc1ccc(CNS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000408635664 195485901 /nfs/dbraw/zinc/48/59/01/195485901.db2.gz GXAQNDPSLVSKKV-UHFFFAOYSA-N 0 0 478.492 4.753 40 0 JJABRN COC(=O)C(=Cc1cc(Br)c(OCc2ccc(C)cc2)c(Br)c1)C(=O)OC ZINC000409049493 195496568 /nfs/dbraw/zinc/49/65/68/195496568.db2.gz RCGQGYQCZTVXPJ-UHFFFAOYSA-N 0 0 498.167 4.828 40 0 JJABRN O=C(CN1C(=O)S/C(=C/c2ccccc2Br)C1=O)Nc1ccccc1Cl ZINC000409230401 195503911 /nfs/dbraw/zinc/50/39/11/195503911.db2.gz CZMHZASBRIOJBJ-OQLLNIDSSA-N 0 0 451.729 4.778 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(F)cc2)cc1 ZINC000409381762 195512736 /nfs/dbraw/zinc/51/27/36/195512736.db2.gz NFOLQNUTKFECJX-UHFFFAOYSA-N 0 0 462.930 4.712 40 0 JJABRN Cn1c2nc(Sc3ccc(Cl)cc3)n(CCSc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000096306464 130056563 /nfs/dbraw/zinc/05/65/63/130056563.db2.gz AJVVOGGOCFYOAZ-UHFFFAOYSA-N 0 0 493.441 4.684 40 0 JJABRN Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013505249 518189567 /nfs/dbraw/zinc/18/95/67/518189567.db2.gz BFWBASWWQKBBID-VWLOTQADSA-N 0 0 458.635 4.620 40 0 JJABRN CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(Cl)cc4)N4c5ccccc5C=C[C@@H]34)C2O)cc1 ZINC000008914242 518343526 /nfs/dbraw/zinc/34/35/26/518343526.db2.gz BXYUPKJWCAXCAE-SSUZURRFSA-N 0 0 496.950 4.815 40 0 JJABRN CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012481575 518615187 /nfs/dbraw/zinc/61/51/87/518615187.db2.gz LDCWVUSGYVNNPZ-PMACEKPBSA-N 0 0 497.602 4.593 40 0 biogenic,in-vitro JJABRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000016322944 518830236 /nfs/dbraw/zinc/83/02/36/518830236.db2.gz GTQCBZHWLOVRHD-QFIPXVFZSA-N 0 0 470.566 4.720 40 0 JJABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)c2)cc1 ZINC000020486050 519020590 /nfs/dbraw/zinc/02/05/90/519020590.db2.gz FLMUSOIGKBHROR-UHFFFAOYSA-N 0 0 497.592 4.780 40 0 JJABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)c2)cc1 ZINC000044880429 519022776 /nfs/dbraw/zinc/02/27/76/519022776.db2.gz URXRXFVQGOJPPS-UHFFFAOYSA-N 0 0 482.577 4.759 40 0 JJABRN CC(C)(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccc(F)c5)n4)CO[C@H]23)cc1 ZINC000005434056 519035669 /nfs/dbraw/zinc/03/56/69/519035669.db2.gz IDFWUFZBWPFYFE-OLKYXYMISA-N 0 0 492.551 4.776 40 0 biogenic,in-vitro JJABRN CC(C)C[C@@H](NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)c1ccccc1 ZINC000038754422 519240113 /nfs/dbraw/zinc/24/01/13/519240113.db2.gz DQLHKGJGHZPOEH-JOCHJYFZSA-N 0 0 452.551 4.905 40 0 JJABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000016320895 519640730 /nfs/dbraw/zinc/64/07/30/519640730.db2.gz RPJNFHRNCWBNQZ-UHFFFAOYSA-N 0 0 472.979 4.560 40 0 JJABRN CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000005944661 519764155 /nfs/dbraw/zinc/76/41/55/519764155.db2.gz LTZTVMKOLDJAQW-UHFFFAOYSA-N 0 0 473.554 4.649 40 0 JJABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020458007 519779238 /nfs/dbraw/zinc/77/92/38/519779238.db2.gz BOXQYHDCRYQVJF-UHFFFAOYSA-N 0 0 472.994 4.639 40 0 JJABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 ZINC000016637222 519879738 /nfs/dbraw/zinc/87/97/38/519879738.db2.gz SYTWHEYZISRXFW-UHFFFAOYSA-N 0 0 473.595 4.748 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000022512905 519905147 /nfs/dbraw/zinc/90/51/47/519905147.db2.gz RKSCFPLHWZOUJR-UHFFFAOYSA-N 0 0 485.993 4.841 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000039986691 519983040 /nfs/dbraw/zinc/98/30/40/519983040.db2.gz TUXDAOPIYPIOME-UHFFFAOYSA-N 0 0 474.966 4.838 40 0 JJABRN CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 ZINC000016638277 520106412 /nfs/dbraw/zinc/10/64/12/520106412.db2.gz ILLXNMGCCKJACW-UHFFFAOYSA-N 0 0 483.375 4.772 40 0 JJABRN CCCCN(C(=O)CCC(=O)Nc1nc(C)cs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013505631 520339883 /nfs/dbraw/zinc/33/98/83/520339883.db2.gz YCPFWNWGBVNHDO-QHCPKHFHSA-N 0 0 470.639 4.599 40 0 JJABRN CCN(CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC)S(=O)(=O)c1cc(C)ccc1OC ZINC000016162906 520362226 /nfs/dbraw/zinc/36/22/26/520362226.db2.gz FHXMWXQSCMEJKE-UHFFFAOYSA-N 0 0 479.602 4.781 40 0 JJABRN CC1(C)[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016577264 520655274 /nfs/dbraw/zinc/65/52/74/520655274.db2.gz RRNNBOAZDBWULX-MUDQOOMWSA-N 0 0 482.713 4.937 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020458347 520687271 /nfs/dbraw/zinc/68/72/71/520687271.db2.gz WJWFPVGLNQBYKK-UHFFFAOYSA-N 0 0 485.993 4.923 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000016740462 520693625 /nfs/dbraw/zinc/69/36/25/520693625.db2.gz HSANUVPQDVZCED-UHFFFAOYSA-N 0 0 460.559 4.628 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(Cl)c1 ZINC000022537564 520693819 /nfs/dbraw/zinc/69/38/19/520693819.db2.gz QMSQCJZAXYEUHW-SFHVURJKSA-N 0 0 467.031 4.600 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000016639040 520722586 /nfs/dbraw/zinc/72/25/86/520722586.db2.gz YLLMFRCBMBAQQY-UHFFFAOYSA-N 0 0 496.585 4.770 40 0 JJABRN CCCCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000016639051 520723947 /nfs/dbraw/zinc/72/39/47/520723947.db2.gz FMSSHCIGOFXQDW-KGENOOAVSA-N 0 0 470.547 4.767 40 0 JJABRN CCOc1cc(NC(=S)NC[C@H]2CCCO2)c(OCC)cc1NC(=O)c1cccc(C)c1 ZINC000013471688 520760270 /nfs/dbraw/zinc/76/02/70/520760270.db2.gz MUOZHNMMWBGHDP-GOSISDBHSA-N 0 0 457.596 4.510 40 0 JJABRN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Br ZINC000016692155 520917328 /nfs/dbraw/zinc/91/73/28/520917328.db2.gz HONXGNDUELINRV-UHFFFAOYSA-N 0 0 473.289 4.956 40 0 JJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000022536567 521015587 /nfs/dbraw/zinc/01/55/87/521015587.db2.gz CYXBAHXHDGKTGR-PMACEKPBSA-N 0 0 493.069 4.942 40 0 JJABRN CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428817 521024315 /nfs/dbraw/zinc/02/43/15/521024315.db2.gz DMHZAMKJGIKQGR-DEOSSOPVSA-N 0 0 452.576 4.548 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CC(=O)c2ccc(Cl)cc2)c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000019820281 521091852 /nfs/dbraw/zinc/09/18/52/521091852.db2.gz QHJFHBRIHCKWOM-BJKOFHAPSA-N 0 0 487.943 4.688 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000016692667 521185553 /nfs/dbraw/zinc/18/55/53/521185553.db2.gz SJQJSNMZZQBKNV-UHFFFAOYSA-N 0 0 488.993 4.577 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000020455456 521187210 /nfs/dbraw/zinc/18/72/10/521187210.db2.gz DKSZOFADBDSBPD-UHFFFAOYSA-N 0 0 466.603 4.556 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1C ZINC000022540163 521192527 /nfs/dbraw/zinc/19/25/27/521192527.db2.gz HSROIEXJYRSTGA-OAQYLSRUSA-N 0 0 472.651 4.597 40 0 JJABRN CCC[C@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500934 521196284 /nfs/dbraw/zinc/19/62/84/521196284.db2.gz LVYYOFWIJSEKTM-XMMPIXPASA-N 0 0 486.576 4.909 40 0 JJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000022522612 521222562 /nfs/dbraw/zinc/22/25/62/521222562.db2.gz DBLWLIIOGCZZJS-NSYGIPOTSA-N 0 0 450.560 4.944 40 0 JJABRN CCOC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012412927 521280865 /nfs/dbraw/zinc/28/08/65/521280865.db2.gz HRTBRYMNZPESET-QYZOEREBSA-N 0 0 459.336 4.547 40 0 JJABRN CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2N)c1 ZINC000016755950 521313553 /nfs/dbraw/zinc/31/35/53/521313553.db2.gz QGMCVHPZPXALTN-UHFFFAOYSA-N 0 0 461.547 4.581 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)CNC(=O)c1cccs1)c1ccccc1 ZINC000006462239 521346282 /nfs/dbraw/zinc/34/62/82/521346282.db2.gz IRVVUQJHWCYRLP-DEOSSOPVSA-N 0 0 493.629 4.566 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1Cl)N(CC(C)C)C(=O)CCC(=O)Nc1cc(C)on1 ZINC000012491502 521346453 /nfs/dbraw/zinc/34/64/53/521346453.db2.gz YIEZBJNHUICGDN-QHCPKHFHSA-N 0 0 491.032 4.886 40 0 JJABRN CCOc1cccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 ZINC000020484093 521351419 /nfs/dbraw/zinc/35/14/19/521351419.db2.gz GMCAALWMNUSPMA-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1cccc(CNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000020461037 521357696 /nfs/dbraw/zinc/35/76/96/521357696.db2.gz LWZLYXXBWZERET-UHFFFAOYSA-N 0 0 466.603 4.598 40 0 JJABRN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1noc(-c2ccncc2)n1 ZINC000028527116 521372451 /nfs/dbraw/zinc/37/24/51/521372451.db2.gz VGNDXRDKUJVJFB-UHFFFAOYSA-N 0 0 466.544 4.768 40 0 JJABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(COc2ccc(CC)cc2)o1 ZINC000006843896 521391939 /nfs/dbraw/zinc/39/19/39/521391939.db2.gz OAJBUAMCHYQOHL-UHFFFAOYSA-N 0 0 475.592 4.797 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)ccc1Cl ZINC000044905118 521443885 /nfs/dbraw/zinc/44/38/85/521443885.db2.gz AMIQQBNZZHEXEA-UHFFFAOYSA-N 0 0 486.977 4.903 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013632148 521471358 /nfs/dbraw/zinc/47/13/58/521471358.db2.gz FBTOTIAKOQOMBX-UHFFFAOYSA-N 0 0 478.998 4.642 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020453535 521490448 /nfs/dbraw/zinc/49/04/48/521490448.db2.gz UWYOADTVSXBXFR-UHFFFAOYSA-N 0 0 487.021 4.867 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020488835 521491366 /nfs/dbraw/zinc/49/13/66/521491366.db2.gz FEZFSPUBMNYUPZ-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000022429358 521491402 /nfs/dbraw/zinc/49/14/02/521491402.db2.gz YUKSELWGGHKSIS-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938078 521492835 /nfs/dbraw/zinc/49/28/35/521492835.db2.gz MFRDGKXMFXRWBG-UHFFFAOYSA-N 0 0 460.502 4.506 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937967 521492936 /nfs/dbraw/zinc/49/29/36/521492936.db2.gz UGWYJMPAHSTACG-IBGZPJMESA-N 0 0 484.643 4.880 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000030848033 521499765 /nfs/dbraw/zinc/49/97/65/521499765.db2.gz FULJWHJFISXKMW-HHHXNRCGSA-N 0 0 460.599 4.832 40 0 JJABRN CCOc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020457134 521500392 /nfs/dbraw/zinc/50/03/92/521500392.db2.gz ZYIXDHAWWGQNOK-UHFFFAOYSA-N 0 0 472.994 4.635 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431193 521512989 /nfs/dbraw/zinc/51/29/89/521512989.db2.gz CPDHDRXIZHTVTH-LJQANCHMSA-N 0 0 470.566 4.606 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020448630 521514043 /nfs/dbraw/zinc/51/40/43/521514043.db2.gz PMNAHPMKOBEMED-INIZCTEOSA-N 0 0 498.988 4.909 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000013649395 521537356 /nfs/dbraw/zinc/53/73/56/521537356.db2.gz KNOQSFCANJKKRN-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 ZINC000016681576 521699489 /nfs/dbraw/zinc/69/94/89/521699489.db2.gz OSWYSJHNPWBWNR-UHFFFAOYSA-N 0 0 451.423 4.571 40 0 JJABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000016323438 521836240 /nfs/dbraw/zinc/83/62/40/521836240.db2.gz SYUBUAYIOQCVFL-RUDMXATFSA-N 0 0 476.404 4.959 40 0 JJABRN COC(=O)c1cc(NC(=O)c2cc(SN3CCCCC3)c3ccccc3c2O)cc(C(=O)OC)c1 ZINC000016194031 521888315 /nfs/dbraw/zinc/88/83/15/521888315.db2.gz KURFTEOGDMWCCH-UHFFFAOYSA-N 0 0 494.569 4.864 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)ccc1Cl ZINC000020459872 521891251 /nfs/dbraw/zinc/89/12/51/521891251.db2.gz RVHZTFICJIAJEK-UHFFFAOYSA-N 0 0 479.341 4.833 40 0 JJABRN COc1cc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)ccc1OCc1ccccc1 ZINC000016779432 522010797 /nfs/dbraw/zinc/01/07/97/522010797.db2.gz QNRVDDDMJLWXNX-YYLVAKQMSA-N 0 0 473.579 4.518 40 0 JJABRN COc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000013564778 522158420 /nfs/dbraw/zinc/15/84/20/522158420.db2.gz CYCCKIJPLGLSCE-UHFFFAOYSA-N 0 0 482.920 4.544 40 0 JJABRN CC[C@@H](C)NC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000012474401 522226211 /nfs/dbraw/zinc/22/62/11/522226211.db2.gz FSOQTMZIGFKENZ-LJQANCHMSA-N 0 0 481.662 4.880 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044842847 522367621 /nfs/dbraw/zinc/36/76/21/522367621.db2.gz LYJNXIOROHFXNH-NRFANRHFSA-N 0 0 469.434 4.803 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 ZINC000044902846 522368872 /nfs/dbraw/zinc/36/88/72/522368872.db2.gz VMEULENLXPZCQD-QFIPXVFZSA-N 0 0 499.460 4.811 40 0 JJABRN CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1)c1ccc(C)cc1 ZINC000020486757 522501303 /nfs/dbraw/zinc/50/13/03/522501303.db2.gz OKIDFLGYAPMLTM-DHLKQENFSA-N 0 0 464.587 4.527 40 0 JJABRN CC[C@H](NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000020456521 522532441 /nfs/dbraw/zinc/53/24/41/522532441.db2.gz KZPYEQXGWKFWDT-VWLOTQADSA-N 0 0 466.603 4.851 40 0 JJABRN CC[C@H](NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020462755 522533527 /nfs/dbraw/zinc/53/35/27/522533527.db2.gz DTICGYLLYIZROF-DEOSSOPVSA-N 0 0 454.567 4.981 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n21)CC[C@@H](C)C3 ZINC000013499786 522538671 /nfs/dbraw/zinc/53/86/71/522538671.db2.gz CWOBICZWQVPFPB-CYBMUJFWSA-N 0 0 494.646 4.715 40 0 JJABRN COc1cc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1 ZINC000016789312 522671060 /nfs/dbraw/zinc/67/10/60/522671060.db2.gz VAWIDNQWCWVYIB-UHFFFAOYSA-N 0 0 490.585 4.903 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)c1ccc(C)cc1 ZINC000044949661 522671443 /nfs/dbraw/zinc/67/14/43/522671443.db2.gz HLFJFHXJGWTXAA-JOCHJYFZSA-N 0 0 493.467 4.567 40 0 JJABRN COc1cc(NC(=S)NC(=O)COc2ccc(C)cc2)ccc1NC(=O)c1ccccc1Cl ZINC000016293564 522737117 /nfs/dbraw/zinc/73/71/17/522737117.db2.gz CMIBTMMSQKMECC-UHFFFAOYSA-N 0 0 483.977 4.801 40 0 JJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000022530493 522872345 /nfs/dbraw/zinc/87/23/45/522872345.db2.gz JMJVNSIEQPCAEA-DEOSSOPVSA-N 0 0 468.575 4.909 40 0 JJABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000022610798 523079272 /nfs/dbraw/zinc/07/92/72/523079272.db2.gz QXNFRCJYBRODLA-UHFFFAOYSA-N 0 0 452.301 4.719 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495608 523131573 /nfs/dbraw/zinc/13/15/73/523131573.db2.gz NVTNQAFLUZISOT-VWLOTQADSA-N 0 0 468.561 4.618 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000020153043 523135176 /nfs/dbraw/zinc/13/51/76/523135176.db2.gz ZOUUJQUIBUAQAE-UHFFFAOYSA-N 0 0 481.357 4.890 40 0 JJABRN COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(F)c3)n2)cc1Br ZINC000016226752 523169223 /nfs/dbraw/zinc/16/92/23/523169223.db2.gz CLFOJECZLSKJLK-UHFFFAOYSA-N 0 0 466.357 4.847 40 0 JJABRN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020482996 523223129 /nfs/dbraw/zinc/22/31/29/523223129.db2.gz NGHGCVBODUYSLL-UHFFFAOYSA-N 0 0 489.852 4.847 40 0 JJABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccc(OC)cc1 ZINC000040372615 523247115 /nfs/dbraw/zinc/24/71/15/523247115.db2.gz KCSWQARUBMEDLP-UHFFFAOYSA-N 0 0 471.439 4.526 40 0 JJABRN COc1ccc(-c2nnc(CSc3nnc(COc4cc(C)cc(C)c4)o3)o2)cc1OC ZINC000019928357 523253954 /nfs/dbraw/zinc/25/39/54/523253954.db2.gz HCIFTBUXYDCISR-UHFFFAOYSA-N 0 0 454.508 4.625 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nnc2-c2cccc(C)c2)cc1 ZINC000016788981 523319277 /nfs/dbraw/zinc/31/92/77/523319277.db2.gz LKXJEYPIQMYSKB-UHFFFAOYSA-N 0 0 490.585 4.999 40 0 JJABRN COc1ccc(-n2c(SCC(=O)Nc3ccc(OC)c(Cl)c3)nnc2-c2ccccn2)cc1 ZINC000016789527 523319413 /nfs/dbraw/zinc/31/94/13/523319413.db2.gz XDBLTUFUOVRCQJ-UHFFFAOYSA-N 0 0 481.965 4.731 40 0 JJABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4cc5ccccc5s4)c23)cc1 ZINC000004237403 523673585 /nfs/dbraw/zinc/67/35/85/523673585.db2.gz FGMPJNVIQJGACG-FXAWDEMLSA-N 0 0 456.567 4.998 40 0 biogenic,in-vitro JJABRN CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCN(c2cccc(OC)c2)CC1 ZINC000013562674 523713089 /nfs/dbraw/zinc/71/30/89/523713089.db2.gz KRAYOCMHHPWKBP-UHFFFAOYSA-N 0 0 487.604 4.620 40 0 JJABRN COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581598 523745870 /nfs/dbraw/zinc/74/58/70/523745870.db2.gz WYWWMYZJDLBOGA-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4ccccc4)n3)cn2)cc1 ZINC000049155180 523747767 /nfs/dbraw/zinc/74/77/67/523747767.db2.gz VPALLRANJHVOIE-QFIPXVFZSA-N 0 0 455.518 4.730 40 0 biogenic,in-vitro JJABRN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn32)cc1OC ZINC000022761154 523779304 /nfs/dbraw/zinc/77/93/04/523779304.db2.gz MLZLTRJREOLNQB-UHFFFAOYSA-N 0 0 463.921 4.984 40 0 JJABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013686448 523804434 /nfs/dbraw/zinc/80/44/34/523804434.db2.gz FLFORJSHFQBEPT-MHECFPHRSA-N 0 0 497.592 4.500 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431741 523816734 /nfs/dbraw/zinc/81/67/34/523816734.db2.gz OPODMXJYJDWSRJ-LJQANCHMSA-N 0 0 470.566 4.524 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC ZINC000020452931 523971557 /nfs/dbraw/zinc/97/15/57/523971557.db2.gz NPKNOKRZEYMXDW-KRWDZBQOSA-N 0 0 482.964 4.736 40 0 JJABRN COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)Nc2ccccc2)cc1 ZINC000006136585 524013032 /nfs/dbraw/zinc/01/30/32/524013032.db2.gz LFPHIFWYLXDXIJ-UHFFFAOYSA-N 0 0 473.554 4.665 40 0 JJABRN COc1ccc(CSc2nnc(Nc3cccc(Cl)c3Cl)c(=O)n2C)cc1OC ZINC000028537526 524129831 /nfs/dbraw/zinc/12/98/31/524129831.db2.gz DMKFXKGWXPMYSK-UHFFFAOYSA-N 0 0 453.351 4.535 40 0 JJABRN COc1ccc(Cc2nc3c(n2C(C)=O)SC(c2ccc(Br)cc2)=NN3C(C)=O)cc1 ZINC000016777870 524163655 /nfs/dbraw/zinc/16/36/55/524163655.db2.gz MNWVJWPLEYDLPB-UHFFFAOYSA-N 0 0 499.390 4.726 40 0 JJABRN COc1ccc(Cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=S)n2-n2cccc2)cc1 ZINC000016807258 524165470 /nfs/dbraw/zinc/16/54/70/524165470.db2.gz PISQKOUGSJQXAU-UHFFFAOYSA-N 0 0 487.507 4.784 40 0 JJABRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2Br)o1 ZINC000019929124 524190572 /nfs/dbraw/zinc/19/05/72/524190572.db2.gz MFOFUONSVUSSCR-UHFFFAOYSA-N 0 0 454.733 4.892 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000020456307 524215393 /nfs/dbraw/zinc/21/53/93/524215393.db2.gz YGLYMKJOEKDVJG-QFIPXVFZSA-N 0 0 485.005 4.738 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449613 524241428 /nfs/dbraw/zinc/24/14/28/524241428.db2.gz VDMZOXMENKSMMF-CQSZACIVSA-N 0 0 474.941 4.880 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000022536518 524247038 /nfs/dbraw/zinc/24/70/38/524247038.db2.gz QDSUSVKMWKNOEE-RBUKOAKNSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000022536501 524247247 /nfs/dbraw/zinc/24/72/47/524247247.db2.gz PBMOSZSGLKJDEL-SFHVURJKSA-N 0 0 479.042 4.552 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccccc1 ZINC000022539227 524248284 /nfs/dbraw/zinc/24/82/84/524248284.db2.gz RVDZEDJDCFNOQX-QGZVFWFLSA-N 0 0 490.984 4.556 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)Cc2ccccc2)c(C)c1 ZINC000022535990 524313785 /nfs/dbraw/zinc/31/37/85/524313785.db2.gz QNZFMJLMQQEYHZ-OAQYLSRUSA-N 0 0 468.594 4.819 40 0 JJABRN Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020490149 524318861 /nfs/dbraw/zinc/31/88/61/524318861.db2.gz XPEQXXJKKVRJDS-UHFFFAOYSA-N 0 0 483.461 4.593 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000020004957 524321810 /nfs/dbraw/zinc/32/18/10/524321810.db2.gz UGRBNMHNQLLLEK-FTJBHMTQSA-N 0 0 476.642 4.695 40 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Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1C ZINC000022605965 524330967 /nfs/dbraw/zinc/33/09/67/524330967.db2.gz OTPUSJKDHQYINM-NRFANRHFSA-N 0 0 498.620 4.973 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1C ZINC000022536831 524331727 /nfs/dbraw/zinc/33/17/27/524331727.db2.gz SFGWQMKEOOPOGC-QFIPXVFZSA-N 0 0 480.630 4.689 40 0 JJABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000013582977 524357957 /nfs/dbraw/zinc/35/79/57/524357957.db2.gz QKHRQUZKKPVOBL-UHFFFAOYSA-N 0 0 460.939 4.789 40 0 JJABRN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccccc1 ZINC000012498946 524358550 /nfs/dbraw/zinc/35/85/50/524358550.db2.gz ZSQNJZYKJASFOQ-BGYRXZFFSA-N 0 0 450.608 4.787 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429591 524361565 /nfs/dbraw/zinc/36/15/65/524361565.db2.gz SCGUTSJBOHVYBM-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022429022 524362231 /nfs/dbraw/zinc/36/22/31/524362231.db2.gz UZNRVTIDVGNMOY-DEOSSOPVSA-N 0 0 496.629 4.803 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020460433 524363122 /nfs/dbraw/zinc/36/31/22/524363122.db2.gz UGSARKWKHCNHSS-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000044899913 524366111 /nfs/dbraw/zinc/36/61/11/524366111.db2.gz XFORQLJUSLCVIZ-UHFFFAOYSA-N 0 0 450.604 4.774 40 0 JJABRN Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)CSc2nc3ccccc3o2)cc1 ZINC000012490924 524403911 /nfs/dbraw/zinc/40/39/11/524403911.db2.gz KEWXMEHKDRVYPH-UHFFFAOYSA-N 0 0 451.592 4.706 40 0 JJABRN COc1ccccc1CN(C)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000020453421 524428972 /nfs/dbraw/zinc/42/89/72/524428972.db2.gz DZKFAJKJCPBVML-UHFFFAOYSA-N 0 0 466.603 4.673 40 0 JJABRN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 ZINC000022716367 524437603 /nfs/dbraw/zinc/43/76/03/524437603.db2.gz VIUINPQBUOVAEA-HNNXBMFYSA-N 0 0 479.627 4.678 40 0 JJABRN COc1ccccc1CNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466396 524471320 /nfs/dbraw/zinc/47/13/20/524471320.db2.gz LJMWVXYPXIPNLC-YDPBKLJVSA-N 0 0 486.697 4.692 40 0 biogenic,in-vitro JJABRN Cc1cccc(N(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000044901979 524526402 /nfs/dbraw/zinc/52/64/02/524526402.db2.gz JUOMZHKSGDMESQ-UHFFFAOYSA-N 0 0 456.995 4.887 40 0 JJABRN COc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-n3cccc3)c2=S)cc1OC ZINC000016778009 524532481 /nfs/dbraw/zinc/53/24/81/524532481.db2.gz LIOVQIDHBQTOES-UHFFFAOYSA-N 0 0 469.954 4.503 40 0 JJABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 ZINC000020449755 524535284 /nfs/dbraw/zinc/53/52/84/524535284.db2.gz ZKFQTSMWFHFQHZ-OALUTQOASA-N 0 0 466.578 4.717 40 0 JJABRN COc1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000020503163 524549010 /nfs/dbraw/zinc/54/90/10/524549010.db2.gz KHHMKWPVGIISCZ-UHFFFAOYSA-N 0 0 467.516 4.921 40 0 JJABRN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000012292158 524556344 /nfs/dbraw/zinc/55/63/44/524556344.db2.gz CZTFFYCLHJJKTK-AREMUKBSSA-N 0 0 478.545 4.909 40 0 JJABRN COc1ccccc1N1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000013562775 524561050 /nfs/dbraw/zinc/56/10/50/524561050.db2.gz QWYWLNDGXDSZRT-UHFFFAOYSA-N 0 0 457.553 4.749 40 0 JJABRN COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013562536 524598933 /nfs/dbraw/zinc/59/89/33/524598933.db2.gz JXGZXVNWNAUIJW-HDICACEKSA-N 0 0 466.607 4.565 40 0 JJABRN Cc1ccc(CSc2nnc3n2c2cc(C(=O)NC(C)C)ccc2c(=O)n3Cc2ccccc2)cc1 ZINC000033256717 524650104 /nfs/dbraw/zinc/65/01/04/524650104.db2.gz REVYBDJZTDJXPI-UHFFFAOYSA-N 0 0 497.624 4.831 40 0 JJABRN COc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000006136700 524664817 /nfs/dbraw/zinc/66/48/17/524664817.db2.gz OWKYHWSKJYDIEQ-UHFFFAOYSA-N 0 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Cc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020459366 524894635 /nfs/dbraw/zinc/89/46/35/524894635.db2.gz PNLNKVMONGWMGV-DEOSSOPVSA-N 0 0 452.551 4.523 40 0 JJABRN Cc1ccc(N(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020489050 524899113 /nfs/dbraw/zinc/89/91/13/524899113.db2.gz QMWZGFIKZHPRLG-UHFFFAOYSA-N 0 0 480.630 4.987 40 0 JJABRN C[C@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000020456603 524947526 /nfs/dbraw/zinc/94/75/26/524947526.db2.gz RXQSVWCIMOQQND-MBBDBFLNSA-N 0 0 484.637 4.937 40 0 JJABRN C[C@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020010997 524947788 /nfs/dbraw/zinc/94/77/88/524947788.db2.gz SITJOZMEBXIGSM-INIZCTEOSA-N 0 0 452.979 4.680 40 0 JJABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 ZINC000020495285 524969271 /nfs/dbraw/zinc/96/92/71/524969271.db2.gz ZWDOXYLMGHJFJH-QGZVFWFLSA-N 0 0 488.993 4.655 40 0 JJABRN C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000022537045 524970058 /nfs/dbraw/zinc/97/00/58/524970058.db2.gz PMGYZOCEZJWJTD-HNNXBMFYSA-N 0 0 496.482 4.902 40 0 JJABRN C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000022605971 524970527 /nfs/dbraw/zinc/97/05/27/524970527.db2.gz JQDBTUFTJFAVGY-KRWDZBQOSA-N 0 0 490.984 4.702 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000022521609 524989174 /nfs/dbraw/zinc/98/91/74/524989174.db2.gz ZKXPQJHIWFEGRN-HNNXBMFYSA-N 0 0 467.418 4.513 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000013562374 524990394 /nfs/dbraw/zinc/99/03/94/524990394.db2.gz GUMILFUAKSSAND-AQNXPRMDSA-N 0 0 476.646 4.611 40 0 JJABRN Cc1cc(I)ccc1Nc1c(F)c(F)c(F)cc1C(=O)NOCC1CC1 ZINC000003964489 525013584 /nfs/dbraw/zinc/01/35/84/525013584.db2.gz UHAXDAKQGVISBZ-UHFFFAOYSA-N 0 0 476.236 4.832 40 0 in-vitro JJABRN COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020495784 525021598 /nfs/dbraw/zinc/02/15/98/525021598.db2.gz JHPICKBBXQZEPI-MHZLTWQESA-N 0 0 492.641 4.944 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 ZINC000044849724 525069393 /nfs/dbraw/zinc/06/93/93/525069393.db2.gz KRYVFMYMYSONGK-CQSZACIVSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000044903051 525070174 /nfs/dbraw/zinc/07/01/74/525070174.db2.gz QDXSMWMRGNTYQM-QHCPKHFHSA-N 0 0 458.624 4.633 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C ZINC000020008831 525070495 /nfs/dbraw/zinc/07/04/95/525070495.db2.gz ZXMHVRROSZFJGK-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000022535510 525099530 /nfs/dbraw/zinc/09/95/30/525099530.db2.gz XMYMMXCUNBZKDX-QGZVFWFLSA-N 0 0 460.958 4.547 40 0 JJABRN C[C@@H](NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000020010230 525100282 /nfs/dbraw/zinc/10/02/82/525100282.db2.gz SUJQDSQGQPFALL-QGZVFWFLSA-N 0 0 479.440 4.650 40 0 JJABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1OC ZINC000022521855 525103003 /nfs/dbraw/zinc/10/30/03/525103003.db2.gz AQLFONCBHOBUJM-UHFFFAOYSA-N 0 0 472.588 4.544 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)c(OC)c1 ZINC000013502206 525114947 /nfs/dbraw/zinc/11/49/47/525114947.db2.gz LHPWLRJZUOALBI-VWLOTQADSA-N 0 0 477.561 4.524 40 0 JJABRN Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000013511759 525116024 /nfs/dbraw/zinc/11/60/24/525116024.db2.gz PXECJZOZGXIYLY-UHFFFAOYSA-N 0 0 455.514 4.842 40 0 JJABRN Cc1ccccc1CN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022535972 525130199 /nfs/dbraw/zinc/13/01/99/525130199.db2.gz RUHNRDOZZUYVTD-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430416 525133291 /nfs/dbraw/zinc/13/32/91/525133291.db2.gz WQDWNSORMNJDKC-OAQYLSRUSA-N 0 0 466.603 4.693 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429373 525133839 /nfs/dbraw/zinc/13/38/39/525133839.db2.gz KQDGEAUTTYOXPL-GOSISDBHSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000020459805 525173241 /nfs/dbraw/zinc/17/32/41/525173241.db2.gz XJFYJADVLTVHGD-LJQANCHMSA-N 0 0 473.422 4.672 40 0 JJABRN C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(F)cc1 ZINC000044948671 525173422 /nfs/dbraw/zinc/17/34/22/525173422.db2.gz YEAWGTKONZVTNV-YOEHRIQHSA-N 0 0 473.397 4.552 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020454533 525173341 /nfs/dbraw/zinc/17/33/41/525173341.db2.gz KYPMYZWPCFITRR-AREMUKBSSA-N 0 0 496.629 4.803 40 0 JJABRN Cc1ccccc1CSCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013682839 525182971 /nfs/dbraw/zinc/18/29/71/525182971.db2.gz VRJRWXVLASZQBV-UHFFFAOYSA-N 0 0 460.646 4.545 40 0 JJABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccc(Cl)cc21 ZINC000020481265 525187527 /nfs/dbraw/zinc/18/75/27/525187527.db2.gz AOCJZROIULPYMN-OAQYLSRUSA-N 0 0 493.368 4.951 40 0 JJABRN Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 ZINC000006195447 525264431 /nfs/dbraw/zinc/26/44/31/525264431.db2.gz OJZGIPHKFMKONM-UHFFFAOYSA-N 0 0 472.570 4.668 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536878 525272029 /nfs/dbraw/zinc/27/20/29/525272029.db2.gz CTDGIUCYGUIPAA-OAQYLSRUSA-N 0 0 466.603 4.977 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(-n4ccnc4)cc3)ccc2C)cc1C ZINC000020459647 525295283 /nfs/dbraw/zinc/29/52/83/525295283.db2.gz ZQTIXYLQBLLQCB-UHFFFAOYSA-N 0 0 474.586 4.528 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429376 525303686 /nfs/dbraw/zinc/30/36/86/525303686.db2.gz KQDGEAUTTYOXPL-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020492810 525305496 /nfs/dbraw/zinc/30/54/96/525305496.db2.gz KBIXSFDLSANPFL-SFHVURJKSA-N 0 0 472.994 4.730 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020457604 525313525 /nfs/dbraw/zinc/31/35/25/525313525.db2.gz COWKLPAYGDUNDX-INIZCTEOSA-N 0 0 458.967 4.949 40 0 JJABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000020491170 525315528 /nfs/dbraw/zinc/31/55/28/525315528.db2.gz BSQICKAECARQLC-INIZCTEOSA-N 0 0 458.967 4.665 40 0 JJABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1cccs1)c1ccc(F)cc1 ZINC000013506208 525341857 /nfs/dbraw/zinc/34/18/57/525341857.db2.gz GHQNSKCZUOMGBT-VWLOTQADSA-N 0 0 493.604 4.759 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000044901050 525346237 /nfs/dbraw/zinc/34/62/37/525346237.db2.gz OBZWPAVNDPZPGY-FQEVSTJZSA-N 0 0 473.422 4.672 40 0 JJABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000020494933 525347708 /nfs/dbraw/zinc/34/77/08/525347708.db2.gz WVYPWPJDOSVUHE-AHWVRZQESA-N 0 0 486.678 4.573 40 0 JJABRN Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000044883244 525368327 /nfs/dbraw/zinc/36/83/27/525368327.db2.gz PGMSEQAOQDOFBJ-QHCPKHFHSA-N 0 0 477.413 4.974 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022537344 525421267 /nfs/dbraw/zinc/42/12/67/525421267.db2.gz BUNWNTXVWSEEIL-MRXNPFEDSA-N 0 0 476.957 4.845 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 ZINC000044899795 525423733 /nfs/dbraw/zinc/42/37/33/525423733.db2.gz AAMOZNZBYFFWBF-RUZDIDTESA-N 0 0 454.567 4.586 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000044904335 525427816 /nfs/dbraw/zinc/42/78/16/525427816.db2.gz BDQCPNHLKNVSHT-AREMUKBSSA-N 0 0 462.615 4.997 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2cccc(C)c2C)cc1 ZINC000022511026 525504612 /nfs/dbraw/zinc/50/46/12/525504612.db2.gz TVBCOBGKMPMDAG-UHFFFAOYSA-N 0 0 480.630 4.911 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(Cl)cc2)cc1 ZINC000022430922 525505510 /nfs/dbraw/zinc/50/55/10/525505510.db2.gz YLIFBIAQHXLQRC-UHFFFAOYSA-N 0 0 487.021 4.947 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cc(C)ccc2C)cc1 ZINC000022430425 525507197 /nfs/dbraw/zinc/50/71/97/525507197.db2.gz CZCGVPVXBJFPRR-FQEVSTJZSA-N 0 0 454.567 4.824 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C2CCCCC2)cc1 ZINC000020010479 525507630 /nfs/dbraw/zinc/50/76/30/525507630.db2.gz ZVCUGYDQDQETPC-GOSISDBHSA-N 0 0 493.467 4.958 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000020104447 525507958 /nfs/dbraw/zinc/50/79/58/525507958.db2.gz IOMZSNONBMJEFE-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000020010383 525511237 /nfs/dbraw/zinc/51/12/37/525511237.db2.gz JKEIJRPPCNCVCS-HXUWFJFHSA-N 0 0 471.022 4.759 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2Cl)cc1 ZINC000022526380 525599438 /nfs/dbraw/zinc/59/94/38/525599438.db2.gz SGXAWULYHXRLTL-UHFFFAOYSA-N 0 0 460.958 4.951 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2Cl)cc1 ZINC000020460434 525601315 /nfs/dbraw/zinc/60/13/15/525601315.db2.gz JBUAWHGFDXESIA-UHFFFAOYSA-N 0 0 480.977 4.565 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000038771814 525659539 /nfs/dbraw/zinc/65/95/39/525659539.db2.gz LCPAHVJITUWMSY-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)cc2C)o1 ZINC000013507534 525678609 /nfs/dbraw/zinc/67/86/09/525678609.db2.gz LHUWZKZZXOITSO-SANMLTNESA-N 0 0 491.588 4.751 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)o1 ZINC000038556066 525678973 /nfs/dbraw/zinc/67/89/73/525678973.db2.gz AJBIHCPKMNRYIF-RPBOFIJWSA-N 0 0 478.545 4.540 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020492380 525694311 /nfs/dbraw/zinc/69/43/11/525694311.db2.gz BGQBCQRLYGPNDN-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3o2)c1 ZINC000022572268 525729748 /nfs/dbraw/zinc/72/97/48/525729748.db2.gz ULZHIAFKVAQRQT-UHFFFAOYSA-N 0 0 463.515 4.647 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022429453 525756539 /nfs/dbraw/zinc/75/65/39/525756539.db2.gz HKZHIFOQFZHWDV-KRWDZBQOSA-N 0 0 460.958 4.860 40 0 JJABRN Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c2ccccc2)cc1 ZINC000044841946 525769738 /nfs/dbraw/zinc/76/97/38/525769738.db2.gz MUDOHUOHLIBQGV-IZLXSDGUSA-N 0 0 490.669 4.875 40 0 JJABRN COc1cccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000028048007 525795325 /nfs/dbraw/zinc/79/53/25/525795325.db2.gz YWVHNYUVAYAOIL-QFIPXVFZSA-N 0 0 454.885 4.680 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000020456390 525885918 /nfs/dbraw/zinc/88/59/18/525885918.db2.gz NTBDPELVIPIRHL-KRWDZBQOSA-N 0 0 467.006 4.515 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020450384 525887881 /nfs/dbraw/zinc/88/78/81/525887881.db2.gz GHLVXWHCVYNMTJ-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020494167 525888196 /nfs/dbraw/zinc/88/81/96/525888196.db2.gz YDAQERHNJBUREV-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN COc1cccc(CCCNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000022512876 525889430 /nfs/dbraw/zinc/88/94/30/525889430.db2.gz ICHWNHJFOXQJJK-UHFFFAOYSA-N 0 0 472.994 4.820 40 0 JJABRN C[C@H](C(=O)N(C)Cc1cccnc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466599 525941615 /nfs/dbraw/zinc/94/16/15/525941615.db2.gz VSOJUJGMVKTWOM-DQZWIMGWSA-N 0 0 483.697 4.565 40 0 biogenic,in-vitro JJABRN Cc1ccc([C@H](NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000036093805 525965543 /nfs/dbraw/zinc/96/55/43/525965543.db2.gz FHJLIAKLTPDSOT-SQJMNOBHSA-N 0 0 450.604 4.672 40 0 JJABRN C[C@@H](Sc1nnc2n1c1ccccc1c(=O)n2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000016323536 526014193 /nfs/dbraw/zinc/01/41/93/526014193.db2.gz OWVVUPMWEJRYGU-MRXNPFEDSA-N 0 0 487.610 4.852 40 0 JJABRN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc5c(cc4[C@@H](C)O)OCO5)c3N2)cc1 ZINC000009489971 526036249 /nfs/dbraw/zinc/03/62/49/526036249.db2.gz CVUFURIXCAINAK-QKAVXHIFSA-N 0 0 488.466 4.886 40 0 JJABRN Cc1cc(-c2ccc(Cl)cc2)nc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)n1 ZINC000016283717 526041211 /nfs/dbraw/zinc/04/12/11/526041211.db2.gz DRIDKRCURXENTF-UHFFFAOYSA-N 0 0 473.042 4.591 40 0 JJABRN Cc1ccc([C@H]2Sc3[nH]c(=O)sc3[C@@H]3c4cc(Br)ccc4OC(=O)[C@H]23)o1 ZINC000016712003 526045056 /nfs/dbraw/zinc/04/50/56/526045056.db2.gz ZAIUYIMMBWRWTH-HZSPNIEDSA-N 0 0 450.335 4.614 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020010194 526055590 /nfs/dbraw/zinc/05/55/90/526055590.db2.gz BZRQXYSTTYSWKP-HXUWFJFHSA-N 0 0 468.644 4.519 40 0 JJABRN C[C@H](C(=O)NCc1cccs1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466597 526089454 /nfs/dbraw/zinc/08/94/54/526089454.db2.gz XUUAAFIFIZLAIO-XPLLTLKCSA-N 0 0 474.711 4.889 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NCc1cccs1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466427 526089987 /nfs/dbraw/zinc/08/99/87/526089987.db2.gz HREKPXZPAOUPEY-MTWOVEBYSA-N 0 0 462.700 4.745 40 0 biogenic,in-vitro JJABRN Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000012474263 526096248 /nfs/dbraw/zinc/09/62/48/526096248.db2.gz JLWBTBAACDPWKI-JOCHJYFZSA-N 0 0 468.619 4.504 40 0 JJABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000022706112 526215370 /nfs/dbraw/zinc/21/53/70/526215370.db2.gz WPAFGEIFYJOKPF-UHFFFAOYSA-N 0 0 469.950 4.736 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000022716668 526218826 /nfs/dbraw/zinc/21/88/26/526218826.db2.gz LMXYWPGGYPVJEM-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 ZINC000020452797 526238173 /nfs/dbraw/zinc/23/81/73/526238173.db2.gz UECZTLVWIDRVAM-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN Cc1ccc(C(O)=C2[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000016183303 526240779 /nfs/dbraw/zinc/24/07/79/526240779.db2.gz BQDRPRMARQFALJ-LGVFNWMJSA-N 0 0 470.447 4.891 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)c1 ZINC000013497936 526246759 /nfs/dbraw/zinc/24/67/59/526246759.db2.gz ZBTTVHUYIFYWDS-DEOSSOPVSA-N 0 0 452.576 4.721 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1 ZINC000012479038 526247002 /nfs/dbraw/zinc/24/70/02/526247002.db2.gz XJUWSXUKAPBQBB-SANMLTNESA-N 0 0 490.556 4.896 40 0 JJABRN O=C(OCc1ccccc1)N1CCC(c2nc(I)c3c(Cl)nccn23)CC1 ZINC000033359146 526427526 /nfs/dbraw/zinc/42/75/26/526427526.db2.gz JUMOTDTUTUOSRW-UHFFFAOYSA-N 0 0 496.736 4.504 40 0 JJABRN O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000022715155 526603254 /nfs/dbraw/zinc/60/32/54/526603254.db2.gz NCFVMICGVIWLNB-UHFFFAOYSA-N 0 0 478.600 4.528 40 0 JJABRN O=C(CNC(=O)c1ccco1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013507444 526869067 /nfs/dbraw/zinc/86/90/67/526869067.db2.gz JZNMHDGMBWFQEJ-RUZDIDTESA-N 0 0 495.526 4.511 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506103 526870314 /nfs/dbraw/zinc/87/03/14/526870314.db2.gz RRDUEMVIPPNMHX-JOCHJYFZSA-N 0 0 485.606 4.512 40 0 JJABRN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000020453372 526914186 /nfs/dbraw/zinc/91/41/86/526914186.db2.gz HGSRPBFFJYSIMN-VGOFRKELSA-N 0 0 481.445 4.729 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 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NVFJBPBDJXLOFR-VWLOTQADSA-N 0 0 482.600 4.757 40 0 JJABRN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000008994928 554855186 /nfs/dbraw/zinc/85/51/86/554855186.db2.gz SBCNKXAMDUUWEA-VWLOTQADSA-N 0 0 494.542 4.768 40 0 JJABRN Cc1ccnc(NC(=O)CCC(=O)N(Cc2cccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000008995310 554856037 /nfs/dbraw/zinc/85/60/37/554856037.db2.gz GQUWLFNRYWEYLC-RUZDIDTESA-N 0 0 496.608 4.604 40 0 JJABRN Cc1ccnc(NC(=O)CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)c1 ZINC000008995302 554856059 /nfs/dbraw/zinc/85/60/59/554856059.db2.gz QXSVZLIUKZZRQT-MHZLTWQESA-N 0 0 490.579 4.543 40 0 JJABRN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cccc3cccnc32)cc1OC ZINC000009056515 554875006 /nfs/dbraw/zinc/87/50/06/554875006.db2.gz ZTVRJLHEBFIWDL-JWGURIENSA-N 0 0 453.498 4.662 40 0 JJABRN COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccccc3NC(C)=O)s2)cc1 ZINC000009062331 554879786 /nfs/dbraw/zinc/87/97/86/554879786.db2.gz MWSMPZBPKGTQFC-UHFFFAOYSA-N 0 0 487.541 4.677 40 0 JJABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000009063725 554881604 /nfs/dbraw/zinc/88/16/04/554881604.db2.gz IQYBOQYDDRURQZ-UHFFFAOYSA-N 0 0 457.977 4.956 40 0 JJABRN O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000009063988 554881987 /nfs/dbraw/zinc/88/19/87/554881987.db2.gz YPMSRSASDWEJTF-UHFFFAOYSA-N 0 0 464.934 4.781 40 0 JJABRN Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nn12 ZINC000009064512 554882197 /nfs/dbraw/zinc/88/21/97/554882197.db2.gz RAJVEQOQIOTOSF-UHFFFAOYSA-N 0 0 463.375 4.595 40 0 JJABRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3O)nc2c1 ZINC000009064926 554884369 /nfs/dbraw/zinc/88/43/69/554884369.db2.gz YUDXJNZKHYFBRG-UHFFFAOYSA-N 0 0 461.543 4.963 40 0 JJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000009142378 554935442 /nfs/dbraw/zinc/93/54/42/554935442.db2.gz BIZXAENJJSHOPD-ZHHULCEESA-N 0 0 465.457 4.975 40 0 JJABRN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2)c1 ZINC000009233788 555006799 /nfs/dbraw/zinc/00/67/99/555006799.db2.gz PWQNDAACQDMRSX-SFHVURJKSA-N 0 0 450.922 4.919 40 0 JJABRN CCCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000009234062 555007328 /nfs/dbraw/zinc/00/73/28/555007328.db2.gz WUOBKVGHBXWIRC-KGENOOAVSA-N 0 0 454.548 4.858 40 0 JJABRN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281281 555050552 /nfs/dbraw/zinc/05/05/52/555050552.db2.gz OMZCJLFMQVLRGE-TUSQITKMSA-N 0 0 458.986 4.664 40 0 JJABRN CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000009330658 555100887 /nfs/dbraw/zinc/10/08/87/555100887.db2.gz XCJBUTYEPXPYJJ-BURNTYAHSA-N 0 0 452.913 4.610 40 0 JJABRN CC(C)N(C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000009535728 555329521 /nfs/dbraw/zinc/32/95/21/555329521.db2.gz YVAKPHRYHTYYCM-NRFANRHFSA-N 0 0 454.571 4.797 40 0 JJABRN Cc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1 ZINC000013151141 555358551 /nfs/dbraw/zinc/35/85/51/555358551.db2.gz NYIFEJVVZOGRMM-QHCPKHFHSA-N 0 0 494.617 4.565 40 0 JJABRN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000013409097 555397225 /nfs/dbraw/zinc/39/72/25/555397225.db2.gz OMMPWAYKPXWRDV-FVANDSCZSA-N 0 0 460.611 4.524 40 0 JJABRN Cc1ccccc1CCN(Cc1nnnn1CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494288 555403786 /nfs/dbraw/zinc/40/37/86/555403786.db2.gz YRTJZWCUBUZONT-UHFFFAOYSA-N 0 0 492.627 4.619 40 0 JJABRN CCOc1ccc(N(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000013494356 555404149 /nfs/dbraw/zinc/40/41/49/555404149.db2.gz KGOPPKCQHPEZNV-HSZRJFAPSA-N 0 0 482.581 4.913 40 0 JJABRN CC[C@H](c1nnnn1C(C)(C)C)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494455 555404613 /nfs/dbraw/zinc/40/46/13/555404613.db2.gz FPHKRPNTESQLMW-HSZRJFAPSA-N 0 0 474.609 4.740 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN([C@@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494580 555405400 /nfs/dbraw/zinc/40/54/00/555405400.db2.gz LFFDYTCFRPAJIO-QFIPXVFZSA-N 0 0 452.603 4.564 40 0 JJABRN CCOc1ccc2[nH]c(=O)c(CN([C@H](CC)c3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000013494582 555405453 /nfs/dbraw/zinc/40/54/53/555405453.db2.gz LFFDYTCFRPAJIO-JOCHJYFZSA-N 0 0 452.603 4.564 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494770 555406445 /nfs/dbraw/zinc/40/64/45/555406445.db2.gz IVBBTAYZGLWCIP-VWLOTQADSA-N 0 0 482.588 4.926 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495119 555407129 /nfs/dbraw/zinc/40/71/29/555407129.db2.gz RYBDFVGYGRZVPI-VWLOTQADSA-N 0 0 498.587 4.626 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495273 555407150 /nfs/dbraw/zinc/40/71/50/555407150.db2.gz IQNSPZBZBHFPEZ-QFIPXVFZSA-N 0 0 459.598 4.517 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495303 555407303 /nfs/dbraw/zinc/40/73/03/555407303.db2.gz VNLVTCIQKPUWGO-SANMLTNESA-N 0 0 497.578 4.559 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495662 555408790 /nfs/dbraw/zinc/40/87/90/555408790.db2.gz OKSOYJWZIXXASQ-QHCPKHFHSA-N 0 0 472.549 4.519 40 0 JJABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495797 555409121 /nfs/dbraw/zinc/40/91/21/555409121.db2.gz FRALFVJGRKORMO-NRFANRHFSA-N 0 0 492.605 4.573 40 0 JJABRN Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496306 555411426 /nfs/dbraw/zinc/41/14/26/555411426.db2.gz BRLCGPBWYJXYFL-QHCPKHFHSA-N 0 0 477.613 4.839 40 0 JJABRN Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000013496320 555411472 /nfs/dbraw/zinc/41/14/72/555411472.db2.gz QRZDELSEQOETIZ-RUZDIDTESA-N 0 0 499.619 4.576 40 0 JJABRN CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000013497207 555412887 /nfs/dbraw/zinc/41/28/87/555412887.db2.gz LEDBCIKKHYXBPI-XMMPIXPASA-N 0 0 488.650 4.824 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497664 555414274 /nfs/dbraw/zinc/41/42/74/555414274.db2.gz YDPDETGOAPGUIZ-QHCPKHFHSA-N 0 0 482.627 4.972 40 0 JJABRN COC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013497663 555414297 /nfs/dbraw/zinc/41/42/97/555414297.db2.gz YDPDETGOAPGUIZ-HSZRJFAPSA-N 0 0 482.627 4.972 40 0 JJABRN O=C(Cc1cccs1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013497759 555415202 /nfs/dbraw/zinc/41/52/02/555415202.db2.gz CUSSKCJEIVPATL-XMMPIXPASA-N 0 0 451.567 4.654 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013497831 555415323 /nfs/dbraw/zinc/41/53/23/555415323.db2.gz VJGQSACDRIOLLY-HSZRJFAPSA-N 0 0 458.624 4.737 40 0 JJABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1 ZINC000013497823 555415328 /nfs/dbraw/zinc/41/53/28/555415328.db2.gz ZPEZYOMFFAPYHI-AREMUKBSSA-N 0 0 493.629 4.532 40 0 JJABRN CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013497832 555415350 /nfs/dbraw/zinc/41/53/50/555415350.db2.gz VJGQSACDRIOLLY-QHCPKHFHSA-N 0 0 458.624 4.737 40 0 JJABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)Cc2cccs2)c1 ZINC000013497938 555416634 /nfs/dbraw/zinc/41/66/34/555416634.db2.gz AKRICQZEVHTNGZ-VWLOTQADSA-N 0 0 463.603 4.523 40 0 JJABRN CCOCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(CC)cc1 ZINC000013498274 555419491 /nfs/dbraw/zinc/41/94/91/555419491.db2.gz INALSVOBDSNCMJ-VWLOTQADSA-N 0 0 456.652 4.908 40 0 JJABRN COc1ccc2cc(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498703 555423886 /nfs/dbraw/zinc/42/38/86/555423886.db2.gz HGMMRJNUPWPQRZ-XMMPIXPASA-N 0 0 492.599 4.817 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000009694976 555425172 /nfs/dbraw/zinc/42/51/72/555425172.db2.gz XEVKIODKBJFHGQ-UHFFFAOYSA-N 0 0 464.996 4.700 40 0 JJABRN Cc1cc(C)c2cc(CN(Cc3cccnc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499088 555428062 /nfs/dbraw/zinc/42/80/62/555428062.db2.gz WCKDFWRILQQIJV-AREMUKBSSA-N 0 0 497.603 4.567 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499168 555428848 /nfs/dbraw/zinc/42/88/48/555428848.db2.gz KJGVYRZQNLJRTO-HSZRJFAPSA-N 0 0 462.598 4.879 40 0 JJABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499524 555432301 /nfs/dbraw/zinc/43/23/01/555432301.db2.gz POOVLRZMXWFGTF-VWLOTQADSA-N 0 0 486.576 4.909 40 0 JJABRN Cc1nc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)C[C@H](C)CC5)sc1C ZINC000013499729 555434440 /nfs/dbraw/zinc/43/44/40/555434440.db2.gz REGZXHSAAVTOHY-SECBINFHSA-N 0 0 458.638 4.576 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4)n21)CC[C@@H](C)C3 ZINC000013499748 555434759 /nfs/dbraw/zinc/43/47/59/555434759.db2.gz LCPADPCJNXSTKL-CYBMUJFWSA-N 0 0 467.620 4.766 40 0 JJABRN CCOc1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(CC)n23)CCCC5)cc1 ZINC000013499878 555435463 /nfs/dbraw/zinc/43/54/63/555435463.db2.gz XUQYBJVFFZRMAC-UHFFFAOYSA-N 0 0 467.620 4.910 40 0 JJABRN Cc1cccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500205 555437649 /nfs/dbraw/zinc/43/76/49/555437649.db2.gz PBOOZKPSTHLCHG-XMMPIXPASA-N 0 0 458.610 4.978 40 0 JJABRN CCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500728 555443485 /nfs/dbraw/zinc/44/34/85/555443485.db2.gz LVHBCDMKCOVMOK-HSZRJFAPSA-N 0 0 459.598 4.517 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500951 555445495 /nfs/dbraw/zinc/44/54/95/555445495.db2.gz UQDJLHIVBPLQOL-GMAHTHKFSA-N 0 0 492.649 4.607 40 0 JJABRN CCc1ccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1 ZINC000013501754 555451208 /nfs/dbraw/zinc/45/12/08/555451208.db2.gz JEGYIPXYABKKSW-XMMPIXPASA-N 0 0 496.608 4.862 40 0 JJABRN Cc1cccc(N(C(=O)CCC(=O)Nc2nccs2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000013501783 555451507 /nfs/dbraw/zinc/45/15/07/555451507.db2.gz HXMYNAUWRRVRRB-HSZRJFAPSA-N 0 0 496.608 4.999 40 0 JJABRN Cc1ccccc1N(C(=O)CCC(=O)Nc1nccs1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000013501781 555451514 /nfs/dbraw/zinc/45/15/14/555451514.db2.gz CYOZNCBXXXMKPZ-HSZRJFAPSA-N 0 0 496.608 4.999 40 0 JJABRN COC(=O)c1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000013502066 555452546 /nfs/dbraw/zinc/45/25/46/555452546.db2.gz JIIZQMVHFGXHET-QHCPKHFHSA-N 0 0 477.586 4.767 40 0 JJABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)c1 ZINC000013502201 555453619 /nfs/dbraw/zinc/45/36/19/555453619.db2.gz UXBGJYMXAZMVOA-AREMUKBSSA-N 0 0 473.573 4.936 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)c2ccccn2)c1 ZINC000013502237 555453808 /nfs/dbraw/zinc/45/38/08/555453808.db2.gz BQVBRSYUQFAVQK-HHHXNRCGSA-N 0 0 471.601 4.965 40 0 JJABRN COc1cccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccc(OC)c2)c1 ZINC000013502248 555453877 /nfs/dbraw/zinc/45/38/77/555453877.db2.gz XBFSLSHPNDWWQU-MHZLTWQESA-N 0 0 487.600 4.931 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccccn1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013502408 555454894 /nfs/dbraw/zinc/45/48/94/555454894.db2.gz KAPFIKSNTLMPEK-AREMUKBSSA-N 0 0 457.574 4.923 40 0 JJABRN COc1ccccc1CN(C(=O)c1ccccn1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000013502409 555454915 /nfs/dbraw/zinc/45/49/15/555454915.db2.gz KAPFIKSNTLMPEK-SANMLTNESA-N 0 0 457.574 4.923 40 0 JJABRN Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000013502503 555455541 /nfs/dbraw/zinc/45/55/41/555455541.db2.gz STCJPGCUWLXESE-MHZLTWQESA-N 0 0 497.530 4.563 40 0 JJABRN CCCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1 ZINC000013503413 555460949 /nfs/dbraw/zinc/46/09/49/555460949.db2.gz MLEVZAUEWBQGTI-NRFANRHFSA-N 0 0 470.639 4.508 40 0 JJABRN COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000013505313 555466006 /nfs/dbraw/zinc/46/60/06/555466006.db2.gz MVVDSXHCYVSYGN-XMMPIXPASA-N 0 0 495.052 4.665 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(CCC(C)C)[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505624 555467303 /nfs/dbraw/zinc/46/73/03/555467303.db2.gz TWLVRGUHVNOHDF-XMMPIXPASA-N 0 0 484.666 4.845 40 0 JJABRN Cc1csc(NC(=O)CCC(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505632 555467564 /nfs/dbraw/zinc/46/75/64/555467564.db2.gz JAVHWSFSEOGULI-XMMPIXPASA-N 0 0 494.617 4.592 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N(C[C@H]2CCCO2)C(=O)Cc2cccs2)cc1 ZINC000013505952 555468805 /nfs/dbraw/zinc/46/88/05/555468805.db2.gz LOAAPRBRLAYRQK-SQHAQQRYSA-N 0 0 492.641 4.673 40 0 JJABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N(C[C@@H]2CCCO2)C(=O)Cc2cccs2)cc1 ZINC000013505950 555468837 /nfs/dbraw/zinc/46/88/37/555468837.db2.gz LOAAPRBRLAYRQK-IGKIAQTJSA-N 0 0 492.641 4.673 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013505981 555469095 /nfs/dbraw/zinc/46/90/95/555469095.db2.gz YSIIXNLYVBZAKO-RUZDIDTESA-N 0 0 493.604 4.759 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccc(F)cc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506117 555469827 /nfs/dbraw/zinc/46/98/27/555469827.db2.gz RRPGQUQPYMOCNP-JOCHJYFZSA-N 0 0 485.606 4.512 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1C ZINC000013506185 555470310 /nfs/dbraw/zinc/47/03/10/555470310.db2.gz FNIQKDGAMPEWRC-AREMUKBSSA-N 0 0 489.641 4.928 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000013506183 555470331 /nfs/dbraw/zinc/47/03/31/555470331.db2.gz DDIGERSWVNOOHJ-RUZDIDTESA-N 0 0 475.614 4.620 40 0 JJABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)o1 ZINC000013506397 555471306 /nfs/dbraw/zinc/47/13/06/555471306.db2.gz RPCCCXWGIKAUJT-VWLOTQADSA-N 0 0 493.629 4.911 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)o1 ZINC000013506396 555471334 /nfs/dbraw/zinc/47/13/34/555471334.db2.gz RPCCCXWGIKAUJT-RUZDIDTESA-N 0 0 493.629 4.911 40 0 JJABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000013506373 555471367 /nfs/dbraw/zinc/47/13/67/555471367.db2.gz VVSHKPQHUHTQFX-VWLOTQADSA-N 0 0 493.604 4.840 40 0 JJABRN CC(C)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506675 555473098 /nfs/dbraw/zinc/47/30/98/555473098.db2.gz SUVGSEOXYYZIFQ-RUZDIDTESA-N 0 0 477.561 4.559 40 0 JJABRN Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506772 555473662 /nfs/dbraw/zinc/47/36/62/555473662.db2.gz YAFBEDFPHDIZJS-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1C ZINC000013506764 555473671 /nfs/dbraw/zinc/47/36/71/555473671.db2.gz JYIMSHKDAMNNQZ-DEOSSOPVSA-N 0 0 479.602 4.521 40 0 JJABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 ZINC000013506767 555473688 /nfs/dbraw/zinc/47/36/88/555473688.db2.gz GXKHHPYFUGFBSY-XMMPIXPASA-N 0 0 479.602 4.521 40 0 JJABRN O=C(NCC(=O)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1ccco1 ZINC000013507417 555475982 /nfs/dbraw/zinc/47/59/82/555475982.db2.gz WPZDXSYSEMLGOL-DEOSSOPVSA-N 0 0 497.954 4.635 40 0 JJABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013507876 555477223 /nfs/dbraw/zinc/47/72/23/555477223.db2.gz HKMBHUAKYZJORF-AREMUKBSSA-N 0 0 491.563 4.680 40 0 JJABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1F ZINC000013507962 555477513 /nfs/dbraw/zinc/47/75/13/555477513.db2.gz KLUCQCCZOPPLMX-AREMUKBSSA-N 0 0 491.563 4.680 40 0 JJABRN O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000013562302 555496518 /nfs/dbraw/zinc/49/65/18/555496518.db2.gz LTDRRFDJIKNNGO-UHFFFAOYSA-N 0 0 499.036 4.988 40 0 JJABRN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000013562533 555497117 /nfs/dbraw/zinc/49/71/17/555497117.db2.gz GZKIQVVLTIKJDL-KDURUIRLSA-N 0 0 464.635 4.888 40 0 JJABRN Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1C ZINC000013564468 555499239 /nfs/dbraw/zinc/49/92/39/555499239.db2.gz CBPVNUWYPBHNAG-DEOSSOPVSA-N 0 0 477.630 4.784 40 0 JJABRN O=C(N1CCC(Nc2nc3c(c(=O)[nH]2)CCC3)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013564757 555499843 /nfs/dbraw/zinc/49/98/43/555499843.db2.gz PCDLMLHVPCBCLA-UHFFFAOYSA-N 0 0 459.575 4.558 40 0 JJABRN Cc1sc(NC(=O)CN2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564973 555500544 /nfs/dbraw/zinc/50/05/44/555500544.db2.gz ODQSODDULIGWKX-UHFFFAOYSA-N 0 0 460.603 4.664 40 0 JJABRN COc1ccc(NC(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc1OC ZINC000013565040 555500892 /nfs/dbraw/zinc/50/08/92/555500892.db2.gz NPVQXMAYARZAIZ-UHFFFAOYSA-N 0 0 479.508 4.792 40 0 JJABRN Cn1c(SCc2cccnc2)nnc1[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000013565217 555501302 /nfs/dbraw/zinc/50/13/02/555501302.db2.gz OJSWDOGUONTLMO-HXUWFJFHSA-N 0 0 479.625 4.860 40 0 JJABRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)C[C@@H](C)O1 ZINC000013565462 555501774 /nfs/dbraw/zinc/50/17/74/555501774.db2.gz IWCLDMDFRDKPRO-QZTJIDSGSA-N 0 0 455.514 4.997 40 0 JJABRN CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)CN4CCCCCC4)n3)ccc21 ZINC000013565775 555502804 /nfs/dbraw/zinc/50/28/04/555502804.db2.gz POAOFZAMTMFBGS-UHFFFAOYSA-N 0 0 454.640 4.950 40 0 JJABRN O=C(CN1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 ZINC000013565798 555502910 /nfs/dbraw/zinc/50/29/10/555502910.db2.gz GUUFLOXNLBQLCU-UHFFFAOYSA-N 0 0 452.624 4.704 40 0 JJABRN CCOc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1NC(=O)CC ZINC000013566614 555503465 /nfs/dbraw/zinc/50/34/65/555503465.db2.gz ILCWANNLRLYCKG-IZHWHUGBSA-N 0 0 454.596 4.769 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2SC)c2ccccc2)cc1 ZINC000019856068 555513650 /nfs/dbraw/zinc/51/36/50/555513650.db2.gz MYUDKIRNQONCBB-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000019856470 555515631 /nfs/dbraw/zinc/51/56/31/555515631.db2.gz PQFQNUXBRJWMDE-UHFFFAOYSA-N 0 0 493.629 4.586 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 ZINC000019856480 555515993 /nfs/dbraw/zinc/51/59/93/555515993.db2.gz ZUAZDNPJXNBKEH-UHFFFAOYSA-N 0 0 486.977 4.577 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000019856509 555516000 /nfs/dbraw/zinc/51/60/00/555516000.db2.gz KEZUPLLANCHFDH-UHFFFAOYSA-N 0 0 482.602 4.970 40 0 JJABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000019856652 555516956 /nfs/dbraw/zinc/51/69/56/555516956.db2.gz ZPUKBJMGUBXVPV-UHFFFAOYSA-N 0 0 493.368 4.614 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSCc2ccccc2C)cc1 ZINC000019856959 555518226 /nfs/dbraw/zinc/51/82/26/555518226.db2.gz AHWTYHWEYIWDKY-UHFFFAOYSA-N 0 0 468.644 4.792 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSCc2cccc(C)c2)cc1 ZINC000019856927 555518300 /nfs/dbraw/zinc/51/83/00/555518300.db2.gz YJPWBKIWYXNIBL-UHFFFAOYSA-N 0 0 468.644 4.792 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581596 555519580 /nfs/dbraw/zinc/51/95/80/555519580.db2.gz SVVFXTAKQWULOA-UHFFFAOYSA-N 0 0 457.379 4.819 40 0 JJABRN CCOCCCNC(=O)c1cc2cc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)ccc2s1 ZINC000013584455 555522101 /nfs/dbraw/zinc/52/21/01/555522101.db2.gz KSEMURXIHXEFTA-UHFFFAOYSA-N 0 0 481.039 4.677 40 0 JJABRN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868171 555522548 /nfs/dbraw/zinc/52/25/48/555522548.db2.gz MSVUXFRTULKUAT-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868183 555522559 /nfs/dbraw/zinc/52/25/59/555522559.db2.gz KOCQFMLJBNXAHW-UHFFFAOYSA-N 0 0 475.825 4.505 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868334 555522794 /nfs/dbraw/zinc/52/27/94/555522794.db2.gz ZXJSWAPKGNVNMD-UHFFFAOYSA-N 0 0 461.798 4.827 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000013584949 555522961 /nfs/dbraw/zinc/52/29/61/555522961.db2.gz YFFJDUBKTFEEAF-UHFFFAOYSA-N 0 0 458.967 4.881 40 0 JJABRN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868662 555523023 /nfs/dbraw/zinc/52/30/23/555523023.db2.gz WTPFUAZZRPFWFU-UHFFFAOYSA-N 0 0 493.815 4.644 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019868697 555523349 /nfs/dbraw/zinc/52/33/49/555523349.db2.gz ZADBVXVIUQLWRR-UHFFFAOYSA-N 0 0 479.788 4.966 40 0 JJABRN CCc1ccccc1NC(=O)COc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013585295 555523451 /nfs/dbraw/zinc/52/34/51/555523451.db2.gz PFJGBYPRVQKKOB-UHFFFAOYSA-N 0 0 452.576 4.790 40 0 JJABRN Cc1ccc(N2C(=O)C[C@H]([C@@H]3CC(C)=C4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]4C3)C2=O)cc1C ZINC000013590232 555524901 /nfs/dbraw/zinc/52/49/01/555524901.db2.gz YORJJKATIUIUDR-UCRVAIAZSA-N 0 0 470.569 4.572 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013596044 555529107 /nfs/dbraw/zinc/52/91/07/555529107.db2.gz YTHOSPWMCYANJD-IAGOWNOFSA-N 0 0 451.032 4.978 40 0 JJABRN C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 ZINC000013612808 555535057 /nfs/dbraw/zinc/53/50/57/555535057.db2.gz WAYWOUHGUHFNJK-CLOONOSVSA-N 0 0 478.614 4.818 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(Br)cc2)cc1 ZINC000013631833 555541568 /nfs/dbraw/zinc/54/15/68/555541568.db2.gz CYOFQAOFZCKSKN-SFHVURJKSA-N 0 0 499.430 4.931 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000013631935 555541844 /nfs/dbraw/zinc/54/18/44/555541844.db2.gz NUNBMHJJHQRGJB-UHFFFAOYSA-N 0 0 454.979 4.823 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013632533 555542581 /nfs/dbraw/zinc/54/25/81/555542581.db2.gz UQOLQWPLALXTSZ-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nnc1-c1ccccc1Cl ZINC000019928291 555543566 /nfs/dbraw/zinc/54/35/66/555543566.db2.gz MQSDGZNFFJPEQY-UHFFFAOYSA-N 0 0 457.943 4.978 40 0 JJABRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2Br)n[nH]1 ZINC000019929194 555545884 /nfs/dbraw/zinc/54/58/84/555545884.db2.gz KFZVHBHITQAZRV-UHFFFAOYSA-N 0 0 453.749 4.627 40 0 JJABRN CCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930245 555547459 /nfs/dbraw/zinc/54/74/59/555547459.db2.gz NBWVVEAEYAMIPJ-UHFFFAOYSA-N 0 0 487.021 4.588 40 0 JJABRN CCN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930329 555547532 /nfs/dbraw/zinc/54/75/32/555547532.db2.gz NKWYZTADCJYZIE-UHFFFAOYSA-N 0 0 474.966 4.790 40 0 JJABRN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019930919 555548085 /nfs/dbraw/zinc/54/80/85/555548085.db2.gz CENASPXFBXLPRU-OPAMFIHVSA-N 0 0 477.413 4.760 40 0 JJABRN CCOc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000013647109 555551352 /nfs/dbraw/zinc/55/13/52/555551352.db2.gz POYRSLGCXZDIRK-UHFFFAOYSA-N 0 0 458.967 4.957 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000019934331 555551542 /nfs/dbraw/zinc/55/15/42/555551542.db2.gz WAAFSDHTHBQZKN-HSZRJFAPSA-N 0 0 460.640 4.762 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000019934425 555551703 /nfs/dbraw/zinc/55/17/03/555551703.db2.gz NTPCWJPQZUHCHO-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013647565 555551952 /nfs/dbraw/zinc/55/19/52/555551952.db2.gz MIRBKLAVBODYRI-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc21 ZINC000019935715 555552916 /nfs/dbraw/zinc/55/29/16/555552916.db2.gz IJHNYHNHDYXRSL-UHFFFAOYSA-N 0 0 465.550 4.990 40 0 JJABRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935626 555552928 /nfs/dbraw/zinc/55/29/28/555552928.db2.gz OZFWCHSTNOFJGV-UHFFFAOYSA-N 0 0 451.734 4.823 40 0 JJABRN O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)s1 ZINC000013648569 555552891 /nfs/dbraw/zinc/55/28/91/555552891.db2.gz UUYAXMZSQQQKCO-UHFFFAOYSA-N 0 0 456.358 4.707 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935885 555553116 /nfs/dbraw/zinc/55/31/16/555553116.db2.gz IPBJUJSPCJQZIE-XMMPIXPASA-N 0 0 452.576 4.703 40 0 JJABRN COc1ccc([C@@H](CC(=O)Nc2c(C)cccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935893 555553138 /nfs/dbraw/zinc/55/31/38/555553138.db2.gz ZAOWIXBJORAMHE-HSZRJFAPSA-N 0 0 452.576 4.703 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccccc2)c1 ZINC000013649668 555553727 /nfs/dbraw/zinc/55/37/27/555553727.db2.gz TUDZOJAXFOXQTB-UHFFFAOYSA-N 0 0 486.634 4.687 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013649401 555553788 /nfs/dbraw/zinc/55/37/88/555553788.db2.gz OCEWKIONABTOPI-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN CN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000019937821 555554652 /nfs/dbraw/zinc/55/46/52/555554652.db2.gz FKKZAIQDDOAHHK-UHFFFAOYSA-N 0 0 479.385 4.514 40 0 JJABRN CCN(c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938072 555555531 /nfs/dbraw/zinc/55/55/31/555555531.db2.gz PICSXGKFICTCNG-SANMLTNESA-N 0 0 478.614 4.783 40 0 JJABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000013668031 555557182 /nfs/dbraw/zinc/55/71/82/555557182.db2.gz KZFQNBHYMFXZNZ-UHFFFAOYSA-N 0 0 452.576 4.741 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013668893 555558159 /nfs/dbraw/zinc/55/81/59/555558159.db2.gz XEPOAAZKLSGFDV-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN CCOc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000013669467 555559344 /nfs/dbraw/zinc/55/93/44/555559344.db2.gz MVGXRFNTDNAQAZ-UHFFFAOYSA-N 0 0 498.670 4.752 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCc4ccccc4C3)cc12 ZINC000019940882 555559486 /nfs/dbraw/zinc/55/94/86/555559486.db2.gz LPFSIOZWQHGLMP-AREMUKBSSA-N 0 0 468.605 4.784 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000013670568 555561300 /nfs/dbraw/zinc/56/13/00/555561300.db2.gz YVHWMOLUTHJIMJ-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013670952 555562053 /nfs/dbraw/zinc/56/20/53/555562053.db2.gz XJIZSGXZKGLAGR-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCSCc1ccccc1F ZINC000013671071 555562458 /nfs/dbraw/zinc/56/24/58/555562458.db2.gz POQRBOHCWSAIPC-UHFFFAOYSA-N 0 0 458.580 4.598 40 0 JJABRN COc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Br ZINC000013671419 555562942 /nfs/dbraw/zinc/56/29/42/555562942.db2.gz CSUANOQGSCADNB-UHFFFAOYSA-N 0 0 480.355 4.654 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019946383 555563101 /nfs/dbraw/zinc/56/31/01/555563101.db2.gz VHDOOJNQXFGJAD-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000013671904 555563587 /nfs/dbraw/zinc/56/35/87/555563587.db2.gz IOEGEVNUFNKWNO-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000013673720 555565098 /nfs/dbraw/zinc/56/50/98/555565098.db2.gz FXTYKUQMPJEYNS-UHFFFAOYSA-N 0 0 466.559 4.558 40 0 JJABRN CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000013674143 555565503 /nfs/dbraw/zinc/56/55/03/555565503.db2.gz QXEHDVLNGDIYAV-UHFFFAOYSA-N 0 0 452.576 4.557 40 0 JJABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccc(C)cc3)cc2)cc1 ZINC000013674412 555565668 /nfs/dbraw/zinc/56/56/68/555565668.db2.gz NOAPOOKPNLKRKG-UHFFFAOYSA-N 0 0 468.644 4.905 40 0 JJABRN Cc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000013676004 555566888 /nfs/dbraw/zinc/56/68/88/555566888.db2.gz AMODEAGNFWKRHX-UHFFFAOYSA-N 0 0 471.022 4.901 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000013676421 555567338 /nfs/dbraw/zinc/56/73/38/555567338.db2.gz RAWDCDPKVFZQLQ-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676761 555567448 /nfs/dbraw/zinc/56/74/48/555567448.db2.gz TVLWCGGHQYQPBQ-INIZCTEOSA-N 0 0 455.407 4.791 40 0 JJABRN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013676768 555567477 /nfs/dbraw/zinc/56/74/77/555567477.db2.gz UPSYKEFFBKKWBB-UHFFFAOYSA-N 0 0 459.439 4.542 40 0 JJABRN O=C(NC1CCCCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013676847 555567791 /nfs/dbraw/zinc/56/77/91/555567791.db2.gz KIQXUPPVHYTNCQ-INIZCTEOSA-N 0 0 461.455 4.764 40 0 JJABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000013678141 555569261 /nfs/dbraw/zinc/56/92/61/555569261.db2.gz LASDYPYZVJUMFJ-CQSZACIVSA-N 0 0 491.824 4.836 40 0 JJABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013679129 555570695 /nfs/dbraw/zinc/57/06/95/555570695.db2.gz AUZYRHZRLNRYDD-QGZVFWFLSA-N 0 0 483.461 4.673 40 0 JJABRN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000013679626 555571581 /nfs/dbraw/zinc/57/15/81/555571581.db2.gz SXGFJHMMYUSRDR-QGZVFWFLSA-N 0 0 459.439 4.542 40 0 JJABRN COC(=O)C[C@]1(C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H](c2ccc(C)cc2)N1c1ccccc1 ZINC000019960874 555572323 /nfs/dbraw/zinc/57/23/23/555572323.db2.gz YMUYFBDDCPPKDZ-QPPCPWFDSA-N 0 0 468.553 4.684 40 0 JJABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000013680200 555572702 /nfs/dbraw/zinc/57/27/02/555572702.db2.gz BNZJFVYJLLBYEZ-CYBMUJFWSA-N 0 0 491.824 4.836 40 0 JJABRN CN(c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1)S(=O)(=O)c1cccs1 ZINC000013680536 555572960 /nfs/dbraw/zinc/57/29/60/555572960.db2.gz JHIHUDDNJHRNIA-UHFFFAOYSA-N 0 0 481.064 4.890 40 0 JJABRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680908 555573402 /nfs/dbraw/zinc/57/34/02/555573402.db2.gz QLUOVVLMDQXKAL-OAQYLSRUSA-N 0 0 477.369 4.730 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2)cc1 ZINC000009974171 555577631 /nfs/dbraw/zinc/57/76/31/555577631.db2.gz POBHHDTVTNQCQQ-GFCCVEGCSA-N 0 0 477.797 4.695 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000020004419 555577683 /nfs/dbraw/zinc/57/76/83/555577683.db2.gz JZCXGZSNSWOCAH-DEOSSOPVSA-N 0 0 450.604 4.757 40 0 JJABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(Br)c1 ZINC000013683995 555577946 /nfs/dbraw/zinc/57/79/46/555577946.db2.gz COIFGRLPHHGFOE-KRWDZBQOSA-N 0 0 489.410 4.673 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000020004485 555578077 /nfs/dbraw/zinc/57/80/77/555578077.db2.gz SNJMKJXRVLUJIW-QFIPXVFZSA-N 0 0 456.995 4.794 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)c(C)c1 ZINC000020004476 555578118 /nfs/dbraw/zinc/57/81/18/555578118.db2.gz VQCSMAMBYXMGOR-JOCHJYFZSA-N 0 0 456.995 4.794 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccc(C(C)C)cc2)cc1OC ZINC000013684501 555578288 /nfs/dbraw/zinc/57/82/88/555578288.db2.gz IPMNQTQZLUJVSX-UHFFFAOYSA-N 0 0 476.573 4.817 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000020004963 555578832 /nfs/dbraw/zinc/57/88/32/555578832.db2.gz UGRBNMHNQLLLEK-UIOOFZCWSA-N 0 0 476.642 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1C ZINC000009974541 555579330 /nfs/dbraw/zinc/57/93/30/555579330.db2.gz VULPAFRMWUJJHW-CQSZACIVSA-N 0 0 490.931 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)cc1 ZINC000009974511 555579373 /nfs/dbraw/zinc/57/93/73/555579373.db2.gz VAQKYDJSPVJPNM-LJQANCHMSA-N 0 0 466.559 4.527 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)cc1Cl ZINC000009974675 555579893 /nfs/dbraw/zinc/57/98/93/555579893.db2.gz HQJRAESZEBTVOW-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000009974681 555579914 /nfs/dbraw/zinc/57/99/14/555579914.db2.gz GLMMVKKHIRHSLG-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(Cl)ccc2C)cc1Cl ZINC000020006203 555580734 /nfs/dbraw/zinc/58/07/34/555580734.db2.gz CDAWFWNAYJMENR-NRFANRHFSA-N 0 0 493.412 4.839 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000020009802 555585458 /nfs/dbraw/zinc/58/54/58/555585458.db2.gz ZGHMTBAIXWDLNZ-HXUWFJFHSA-N 0 0 491.034 4.599 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020010591 555586446 /nfs/dbraw/zinc/58/64/46/555586446.db2.gz ZFHPCXXHWQGLLF-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020010917 555586786 /nfs/dbraw/zinc/58/67/86/555586786.db2.gz BCMYCAAMXBSHPD-QGZVFWFLSA-N 0 0 460.958 4.547 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)Cc2ccccc2)cc1 ZINC000020011138 555587036 /nfs/dbraw/zinc/58/70/36/555587036.db2.gz CBXVANPIXSVAEE-UHFFFAOYSA-N 0 0 496.482 4.683 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011777 555587889 /nfs/dbraw/zinc/58/78/89/555587889.db2.gz SQLKVZCEXNPCLI-KRWDZBQOSA-N 0 0 490.984 4.556 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020011787 555587896 /nfs/dbraw/zinc/58/78/96/555587896.db2.gz YTFORDRAJWIAIY-QGZVFWFLSA-N 0 0 490.984 4.556 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(Cl)cc2)Cc2ccccc2F)cc1 ZINC000020012096 555588422 /nfs/dbraw/zinc/58/84/22/555588422.db2.gz XFTZZDHMQOLSTC-GOSISDBHSA-N 0 0 474.985 4.856 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000020012409 555588634 /nfs/dbraw/zinc/58/86/34/555588634.db2.gz PQFCJRQBVCJJAW-UHFFFAOYSA-N 0 0 495.403 4.948 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012435 555588668 /nfs/dbraw/zinc/58/86/68/555588668.db2.gz RJRZMQUPFQNHNA-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccc(F)cc2)cc1 ZINC000020012352 555588696 /nfs/dbraw/zinc/58/86/96/555588696.db2.gz PRPGZETYKQGUTF-VWLOTQADSA-N 0 0 466.578 4.519 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020012361 555588698 /nfs/dbraw/zinc/58/86/98/555588698.db2.gz PEMSSNHWFDHSMW-LJQANCHMSA-N 0 0 486.634 4.924 40 0 JJABRN CC[C@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711360 555588842 /nfs/dbraw/zinc/58/88/42/555588842.db2.gz UPSVHCIHVDWRDA-LJQANCHMSA-N 0 0 475.463 4.588 40 0 JJABRN Cc1ccccc1CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020012710 555588816 /nfs/dbraw/zinc/58/88/16/555588816.db2.gz KTTDPOZTLKWZJG-UHFFFAOYSA-N 0 0 464.921 4.756 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020012670 555588848 /nfs/dbraw/zinc/58/88/48/555588848.db2.gz YBXLGXSJKQJUDR-IBGZPJMESA-N 0 0 487.021 4.725 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(F)ccc2C)c(C)c1 ZINC000020013381 555589323 /nfs/dbraw/zinc/58/93/23/555589323.db2.gz WIGDYZVKRFTWTF-UHFFFAOYSA-N 0 0 468.594 4.931 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000020013460 555589767 /nfs/dbraw/zinc/58/97/67/555589767.db2.gz RBVOZNWPOQKFTA-NRFANRHFSA-N 0 0 472.651 4.821 40 0 JJABRN O=C(CNC(=O)c1ccc(Br)o1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000010000608 555590027 /nfs/dbraw/zinc/59/00/27/555590027.db2.gz SKAHWCYJTJNBMG-FQEVSTJZSA-N 0 0 476.710 4.593 40 0 JJABRN CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020014690 555590781 /nfs/dbraw/zinc/59/07/81/555590781.db2.gz KXQUQFFPICGJNK-GFCCVEGCSA-N 0 0 494.238 4.644 40 0 JJABRN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013713302 555590919 /nfs/dbraw/zinc/59/09/19/555590919.db2.gz PWHWIYMQADEYQQ-VJBWXMMDSA-N 0 0 493.357 4.899 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000020015464 555591475 /nfs/dbraw/zinc/59/14/75/555591475.db2.gz JPMHFDFKVXMASW-UHFFFAOYSA-N 0 0 473.275 4.552 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714334 555591711 /nfs/dbraw/zinc/59/17/11/555591711.db2.gz YZTUYGSKJFJOSX-IBGZPJMESA-N 0 0 475.463 4.588 40 0 JJABRN CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1 ZINC000010009886 555591751 /nfs/dbraw/zinc/59/17/51/555591751.db2.gz LEDPJHWECQSCMY-UHFFFAOYSA-N 0 0 456.395 4.534 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O ZINC000010010048 555591922 /nfs/dbraw/zinc/59/19/22/555591922.db2.gz GSROOGFZUBUAKA-UHFFFAOYSA-N 0 0 456.589 4.641 40 0 JJABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000010010167 555591946 /nfs/dbraw/zinc/59/19/46/555591946.db2.gz MAIORJHXFKIAPU-UHFFFAOYSA-N 0 0 468.600 4.994 40 0 JJABRN CCN(c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010010049 555592014 /nfs/dbraw/zinc/59/20/14/555592014.db2.gz FBRXZYDKSJLPJJ-UHFFFAOYSA-N 0 0 474.966 4.936 40 0 JJABRN CCCCOc1cccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2OC)c1 ZINC000010010243 555592287 /nfs/dbraw/zinc/59/22/87/555592287.db2.gz AHGZKRAYVAIGPS-UHFFFAOYSA-N 0 0 451.552 4.855 40 0 JJABRN CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cccc(O[C@@H](C)CC)c4)c3)nn12 ZINC000010010320 555592580 /nfs/dbraw/zinc/59/25/80/555592580.db2.gz PFFFTZYXGQRQSE-AWEZNQCLSA-N 0 0 451.552 4.853 40 0 JJABRN O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000020016629 555592632 /nfs/dbraw/zinc/59/26/32/555592632.db2.gz LCNITQVGRHCABD-LBPRGKRZSA-N 0 0 464.868 4.537 40 0 JJABRN CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715149 555592783 /nfs/dbraw/zinc/59/27/83/555592783.db2.gz WLZILTHMTLGQHC-DEOSSOPVSA-N 0 0 454.567 4.599 40 0 JJABRN CC[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715544 555593096 /nfs/dbraw/zinc/59/30/96/555593096.db2.gz ZXUXBWXQOZSNNX-IBGZPJMESA-N 0 0 493.453 4.727 40 0 JJABRN CSc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000020018035 555593952 /nfs/dbraw/zinc/59/39/52/555593952.db2.gz UTYQEPHQYJRGFU-LJQANCHMSA-N 0 0 460.665 4.612 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000020018511 555594449 /nfs/dbraw/zinc/59/44/49/555594449.db2.gz QKDFCQJORJHLKB-OAHLLOKOSA-N 0 0 485.433 4.670 40 0 JJABRN CC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716783 555594486 /nfs/dbraw/zinc/59/44/86/555594486.db2.gz YWUIUKGGKILLFG-XMMPIXPASA-N 0 0 450.604 4.754 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000020019260 555595348 /nfs/dbraw/zinc/59/53/48/555595348.db2.gz PYIFZUBTDITEII-OAHLLOKOSA-N 0 0 496.482 4.902 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000020019099 555595388 /nfs/dbraw/zinc/59/53/88/555595388.db2.gz MSHLOWHNCBPZOX-MSOLQXFVSA-N 0 0 472.994 4.636 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000020020149 555596667 /nfs/dbraw/zinc/59/66/67/555596667.db2.gz WAGRGTDRKPZZPV-DEOSSOPVSA-N 0 0 464.587 4.677 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000020020450 555597217 /nfs/dbraw/zinc/59/72/17/555597217.db2.gz KRUYDSSEBGYHQN-UHFFFAOYSA-N 0 0 470.856 4.576 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000020020403 555597250 /nfs/dbraw/zinc/59/72/50/555597250.db2.gz YHHCYPLIZRVXKD-UHFFFAOYSA-N 0 0 498.454 4.671 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020660 555597602 /nfs/dbraw/zinc/59/76/02/555597602.db2.gz PIFNFDOUUGKPST-OAHLLOKOSA-N 0 0 462.930 4.536 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020020861 555597848 /nfs/dbraw/zinc/59/78/48/555597848.db2.gz PBCMRIOPXRRGQS-UHFFFAOYSA-N 0 0 498.445 4.820 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1Cl ZINC000020021098 555598201 /nfs/dbraw/zinc/59/82/01/555598201.db2.gz BDEZARQDDFDRGG-UHFFFAOYSA-N 0 0 484.883 4.884 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022298 555599575 /nfs/dbraw/zinc/59/95/75/555599575.db2.gz NPEHEHZQYQBGQU-QGZVFWFLSA-N 0 0 458.967 4.705 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000020022459 555599878 /nfs/dbraw/zinc/59/98/78/555599878.db2.gz DCUCECIIUMVPDN-QHCPKHFHSA-N 0 0 468.550 4.508 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(C)c2)cc1 ZINC000020022549 555600369 /nfs/dbraw/zinc/60/03/69/555600369.db2.gz LOFPJNLZFHUCOX-UHFFFAOYSA-N 0 0 472.538 4.660 40 0 JJABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl ZINC000020022830 555600583 /nfs/dbraw/zinc/60/05/83/555600583.db2.gz AZFDCDXFLFVUHN-UHFFFAOYSA-N 0 0 474.941 4.556 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N[C@H]1CCCc2ccccc21 ZINC000020023100 555600918 /nfs/dbraw/zinc/60/09/18/555600918.db2.gz ZYCNHXMVMLFNAW-QFIPXVFZSA-N 0 0 470.978 4.713 40 0 JJABRN COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000020024652 555602594 /nfs/dbraw/zinc/60/25/94/555602594.db2.gz JKHRSSWJYFQWEX-FQEVSTJZSA-N 0 0 478.614 4.647 40 0 JJABRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020030134 555605239 /nfs/dbraw/zinc/60/52/39/555605239.db2.gz KJHWXPUJARYGRU-UHFFFAOYSA-N 0 0 461.387 4.925 40 0 JJABRN Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c2ccccc2)cc1 ZINC000020034887 555609459 /nfs/dbraw/zinc/60/94/59/555609459.db2.gz YXFZTOSLSFIGMI-HHHXNRCGSA-N 0 0 476.642 4.751 40 0 JJABRN Cc1ccc([C@@H](NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000020035635 555610216 /nfs/dbraw/zinc/61/02/16/555610216.db2.gz OFWRVYFQLNUEEY-SANMLTNESA-N 0 0 462.615 4.830 40 0 JJABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000020040561 555613405 /nfs/dbraw/zinc/61/34/05/555613405.db2.gz USXZZDGWUOVVRN-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN COc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OC ZINC000020040460 555613414 /nfs/dbraw/zinc/61/34/14/555613414.db2.gz MYDCQHQBFZTTDG-MHZLTWQESA-N 0 0 476.598 4.750 40 0 JJABRN CCOC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1Cl ZINC000020044089 555615334 /nfs/dbraw/zinc/61/53/34/555615334.db2.gz WDOAXXOBORHGBB-UHFFFAOYSA-N 0 0 458.923 4.570 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000020047590 555617786 /nfs/dbraw/zinc/61/77/86/555617786.db2.gz KDKVDKKYWKPHCZ-AREMUKBSSA-N 0 0 464.631 4.964 40 0 JJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC ZINC000020049340 555618813 /nfs/dbraw/zinc/61/88/13/555618813.db2.gz XCIUQPJKUNKMOM-OAHLLOKOSA-N 0 0 490.578 4.763 40 0 JJABRN Cc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000010110198 555619588 /nfs/dbraw/zinc/61/95/88/555619588.db2.gz CQRJVZRQOARTAC-UHFFFAOYSA-N 0 0 456.995 4.593 40 0 JJABRN Cc1ccccc1[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000020050905 555620092 /nfs/dbraw/zinc/62/00/92/555620092.db2.gz MSTVRBVZRCPGPO-RUZDIDTESA-N 0 0 483.033 4.955 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)NCCCc1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000010110663 555620564 /nfs/dbraw/zinc/62/05/64/555620564.db2.gz PZXWBMDZWBYAJB-UHFFFAOYSA-N 0 0 487.021 4.601 40 0 JJABRN Cc1cccc(CCCNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000010110720 555620817 /nfs/dbraw/zinc/62/08/17/555620817.db2.gz JXVRTCCKRQZQJD-UHFFFAOYSA-N 0 0 471.022 4.977 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000010112322 555625395 /nfs/dbraw/zinc/62/53/95/555625395.db2.gz HUBMPYDNMKVXKI-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 ZINC000010112378 555625681 /nfs/dbraw/zinc/62/56/81/555625681.db2.gz UCTWAOMTLOCRNV-UHFFFAOYSA-N 0 0 452.532 4.533 40 0 JJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000013842121 555631509 /nfs/dbraw/zinc/63/15/09/555631509.db2.gz RUBPHIKLLNLEEO-UHFFFAOYSA-N 0 0 451.379 4.994 40 0 JJABRN COc1cc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc(OC)c1OC ZINC000010120240 555632539 /nfs/dbraw/zinc/63/25/39/555632539.db2.gz HATMBXSSLLSCFU-UHFFFAOYSA-N 0 0 454.504 4.630 40 0 JJABRN CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000013845275 555633632 /nfs/dbraw/zinc/63/36/32/555633632.db2.gz RMMBADUOWKYPQY-UHFFFAOYSA-N 0 0 467.378 4.923 40 0 JJABRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000010128339 555633911 /nfs/dbraw/zinc/63/39/11/555633911.db2.gz AAHYDGKYKCJSMW-NRFANRHFSA-N 0 0 463.386 4.830 40 0 JJABRN O=C(Nc1cccc(Br)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000010128639 555634178 /nfs/dbraw/zinc/63/41/78/555634178.db2.gz DXTJVZYZZQQSKM-HXUWFJFHSA-N 0 0 493.810 4.631 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020104333 555636483 /nfs/dbraw/zinc/63/64/83/555636483.db2.gz VGMHZMXZAMQWHV-JOCHJYFZSA-N 0 0 450.604 4.993 40 0 JJABRN COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000020107303 555640898 /nfs/dbraw/zinc/64/08/98/555640898.db2.gz SLPIAYZJBZQXIC-UHFFFAOYSA-N 0 0 452.576 4.693 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1N1CCCC1=O ZINC000020108607 555643470 /nfs/dbraw/zinc/64/34/70/555643470.db2.gz KKONRVZEHBYCQO-UHFFFAOYSA-N 0 0 454.573 4.774 40 0 JJABRN Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1C ZINC000020109183 555644943 /nfs/dbraw/zinc/64/49/43/555644943.db2.gz AILWINDHIUPFCM-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000020109199 555644959 /nfs/dbraw/zinc/64/49/59/555644959.db2.gz LBRBBBBAEIVICF-UHFFFAOYSA-N 0 0 483.012 4.555 40 0 JJABRN CCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000020110204 555646168 /nfs/dbraw/zinc/64/61/68/555646168.db2.gz RUCDCDMNSIOKNP-UHFFFAOYSA-N 0 0 484.643 4.905 40 0 JJABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000020112541 555649977 /nfs/dbraw/zinc/64/99/77/555649977.db2.gz VFOCXCNQVQPORV-UHFFFAOYSA-N 0 0 487.622 4.678 40 0 JJABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1I ZINC000020137882 555661316 /nfs/dbraw/zinc/66/13/16/555661316.db2.gz PFIRAUQBVUQPPT-UHFFFAOYSA-N 0 0 453.663 4.949 40 0 JJABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000014006535 555668524 /nfs/dbraw/zinc/66/85/24/555668524.db2.gz VHRCDMYAUDDIRH-SFHVURJKSA-N 0 0 454.548 4.519 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006998 555668536 /nfs/dbraw/zinc/66/85/36/555668536.db2.gz DLJVASSDYGWXQL-MRXNPFEDSA-N 0 0 474.966 4.946 40 0 JJABRN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000014006534 555668613 /nfs/dbraw/zinc/66/86/13/555668613.db2.gz VHRCDMYAUDDIRH-GOSISDBHSA-N 0 0 454.548 4.519 40 0 JJABRN O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Br)c1 ZINC000020151818 555668897 /nfs/dbraw/zinc/66/88/97/555668897.db2.gz GXFGAFAKLKDBIK-UHFFFAOYSA-N 0 0 465.756 4.982 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010276025 555670696 /nfs/dbraw/zinc/67/06/96/555670696.db2.gz QFHDDQKPONEBQD-CVEARBPZSA-N 0 0 467.031 4.678 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010276020 555670703 /nfs/dbraw/zinc/67/07/03/555670703.db2.gz QFHDDQKPONEBQD-HOTGVXAUSA-N 0 0 467.031 4.678 40 0 JJABRN O=C(NCCSCc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010281542 555672601 /nfs/dbraw/zinc/67/26/01/555672601.db2.gz AGNQHDNVLNEMKU-DEOSSOPVSA-N 0 0 470.591 4.856 40 0 JJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 ZINC000020153751 555673088 /nfs/dbraw/zinc/67/30/88/555673088.db2.gz CIXRZRJUIZPEOQ-UHFFFAOYSA-N 0 0 462.980 4.706 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1 ZINC000014022814 555673746 /nfs/dbraw/zinc/67/37/46/555673746.db2.gz VZIYUJJCMMACQP-VWLOTQADSA-N 0 0 462.615 4.625 40 0 JJABRN CC(C)c1ccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010298224 555676102 /nfs/dbraw/zinc/67/61/02/555676102.db2.gz QWTCWLRJPBDYQI-IBGZPJMESA-N 0 0 454.321 4.961 40 0 JJABRN Cc1ccc(SCCNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000010313928 555679265 /nfs/dbraw/zinc/67/92/65/555679265.db2.gz YJMOVDQXVUKHFR-UHFFFAOYSA-N 0 0 468.644 4.792 40 0 JJABRN Cc1cc(I)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314719 555680500 /nfs/dbraw/zinc/68/05/00/555680500.db2.gz LBMXTMRQTHUSNK-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010314704 555680541 /nfs/dbraw/zinc/68/05/41/555680541.db2.gz JKCIGGVGZJERRQ-UHFFFAOYSA-N 0 0 477.586 4.802 40 0 JJABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Br)cc1F ZINC000010315097 555681703 /nfs/dbraw/zinc/68/17/03/555681703.db2.gz WMYCSSVUSPHQII-UHFFFAOYSA-N 0 0 463.328 4.950 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O ZINC000010324052 555683492 /nfs/dbraw/zinc/68/34/92/555683492.db2.gz PSQOUEAVLDPQIK-UHFFFAOYSA-N 0 0 489.490 4.898 40 0 JJABRN COc1cccc2c(C)nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc12 ZINC000010325272 555683986 /nfs/dbraw/zinc/68/39/86/555683986.db2.gz FOFCIBCXTHEDRW-UHFFFAOYSA-N 0 0 462.560 4.676 40 0 JJABRN C[C@@H]1Cc2cc(C(=O)Nc3ccccc3Br)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010325327 555683998 /nfs/dbraw/zinc/68/39/98/555683998.db2.gz JMMALWCFHVCMQE-OAHLLOKOSA-N 0 0 471.376 4.841 40 0 JJABRN Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3C[C@H]2C)cc1 ZINC000010327178 555685902 /nfs/dbraw/zinc/68/59/02/555685902.db2.gz COORKVKMWISSRS-LEWJYISDSA-N 0 0 462.615 4.886 40 0 JJABRN CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000010329861 555687115 /nfs/dbraw/zinc/68/71/15/555687115.db2.gz ZMDUWOPCHSTUCE-UHFFFAOYSA-N 0 0 466.603 4.968 40 0 JJABRN Cc1cc(C(=O)Nc2ccc(I)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000010332972 555688634 /nfs/dbraw/zinc/68/86/34/555688634.db2.gz BCPUKSNHJHCWSJ-UHFFFAOYSA-N 0 0 492.338 4.653 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000010333611 555689135 /nfs/dbraw/zinc/68/91/35/555689135.db2.gz MAXLGEVTMAUYFS-UHFFFAOYSA-N 0 0 471.966 4.517 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1Cl ZINC000010335967 555691006 /nfs/dbraw/zinc/69/10/06/555691006.db2.gz HDPJATWGHLSPQR-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2)cc1)c1cccc(Cl)c1Cl ZINC000010336610 555691509 /nfs/dbraw/zinc/69/15/09/555691509.db2.gz KRKMEQDSFOVUMW-UHFFFAOYSA-N 0 0 463.386 4.890 40 0 JJABRN Cc1cccc(N(Cc2ccc(C(=O)NCCSCc3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000010337197 555691819 /nfs/dbraw/zinc/69/18/19/555691819.db2.gz SQBFDHXEYVRBTP-UHFFFAOYSA-N 0 0 482.671 4.933 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000010338408 555692630 /nfs/dbraw/zinc/69/26/30/555692630.db2.gz KCJZZPMBSUNYNS-QFIPXVFZSA-N 0 0 450.604 4.687 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2Cl)cc1)c1cccc(Cl)c1 ZINC000010338891 555693213 /nfs/dbraw/zinc/69/32/13/555693213.db2.gz UMDHROFPGVWAOU-UHFFFAOYSA-N 0 0 463.386 4.890 40 0 JJABRN COc1ccc(C)cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010339213 555693533 /nfs/dbraw/zinc/69/35/33/555693533.db2.gz LGJTVXDPKMWPFW-UHFFFAOYSA-N 0 0 458.967 4.876 40 0 JJABRN Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000010357804 555695812 /nfs/dbraw/zinc/69/58/12/555695812.db2.gz HDOLATNVRRAVHB-UHFFFAOYSA-N 0 0 461.008 4.971 40 0 JJABRN COC(=O)c1cc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)ccc1Cl ZINC000010363069 555697318 /nfs/dbraw/zinc/69/73/18/555697318.db2.gz WFPBLGRBEZYJOC-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN COc1ccc(N(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000010363964 555697433 /nfs/dbraw/zinc/69/74/33/555697433.db2.gz CMEJXNVLGXEHKS-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN COC(=O)c1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)ccc1Cl ZINC000010371144 555699690 /nfs/dbraw/zinc/69/96/90/555699690.db2.gz PCZFKDIHAXIPOM-UHFFFAOYSA-N 0 0 472.950 4.797 40 0 JJABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000010371180 555699743 /nfs/dbraw/zinc/69/97/43/555699743.db2.gz CFHDJLAZDZSAQM-GOSISDBHSA-N 0 0 456.995 4.709 40 0 JJABRN COc1ccc(N([C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000010371743 555700009 /nfs/dbraw/zinc/70/00/09/555700009.db2.gz MZYKPBJPMSVBAT-IBGZPJMESA-N 0 0 487.021 4.732 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000010372061 555700310 /nfs/dbraw/zinc/70/03/10/555700310.db2.gz OOYLAQZGHGOIRP-UHFFFAOYSA-N 0 0 481.014 4.790 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000014135433 555703380 /nfs/dbraw/zinc/70/33/80/555703380.db2.gz DKLYHLQFQDNFNS-UHFFFAOYSA-N 0 0 450.604 4.949 40 0 JJABRN O=C(CSc1n[nH]c(COc2ccccc2F)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152631 555708265 /nfs/dbraw/zinc/70/82/65/555708265.db2.gz FLGXZQLOFOBPLP-UHFFFAOYSA-N 0 0 460.840 4.926 40 0 JJABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O ZINC000010433844 555708376 /nfs/dbraw/zinc/70/83/76/555708376.db2.gz NDDPBHNFHOLUBY-UHFFFAOYSA-N 0 0 477.783 4.735 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000010434103 555708894 /nfs/dbraw/zinc/70/88/94/555708894.db2.gz GPUWYLONRHOHAZ-UHFFFAOYSA-N 0 0 477.355 4.807 40 0 JJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014154112 555711002 /nfs/dbraw/zinc/71/10/02/555711002.db2.gz XNGXOCFFWPPKBL-GOSISDBHSA-N 0 0 465.575 4.576 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C ZINC000010442392 555711322 /nfs/dbraw/zinc/71/13/22/555711322.db2.gz OSOBOLSGYWIZKW-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1C ZINC000010442346 555711343 /nfs/dbraw/zinc/71/13/43/555711343.db2.gz VBNVKNNWCVFBRX-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000014154382 555711490 /nfs/dbraw/zinc/71/14/90/555711490.db2.gz UPUXGFNLTDYGJH-UHFFFAOYSA-N 0 0 462.618 4.627 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 ZINC000010444291 555712205 /nfs/dbraw/zinc/71/22/05/555712205.db2.gz QKSYLLDSIYNSER-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010445009 555712662 /nfs/dbraw/zinc/71/26/62/555712662.db2.gz JMAQPJPDLNYDBL-IBGZPJMESA-N 0 0 496.585 4.757 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446616 555713279 /nfs/dbraw/zinc/71/32/79/555713279.db2.gz LJRXZGDLKHKQGN-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010446598 555713287 /nfs/dbraw/zinc/71/32/87/555713287.db2.gz WBWLQWSPPMQSND-UHFFFAOYSA-N 0 0 494.613 4.931 40 0 JJABRN C[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155763 555714328 /nfs/dbraw/zinc/71/43/28/555714328.db2.gz WURSYJGKTJDYKB-ZDUSSCGKSA-N 0 0 495.881 4.851 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000010448586 555714508 /nfs/dbraw/zinc/71/45/08/555714508.db2.gz CQVRXYGGLGWWHC-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000010448572 555714519 /nfs/dbraw/zinc/71/45/19/555714519.db2.gz URRCPAGWYAOTGF-UHFFFAOYSA-N 0 0 493.412 4.904 40 0 JJABRN CCOc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010448555 555714541 /nfs/dbraw/zinc/71/45/41/555714541.db2.gz WGHWQWMSOKMZMQ-UHFFFAOYSA-N 0 0 466.603 4.720 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000010449501 555715341 /nfs/dbraw/zinc/71/53/41/555715341.db2.gz QCGNKCKKVMWAFB-UHFFFAOYSA-N 0 0 470.978 4.523 40 0 JJABRN COc1ccc(Cl)cc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000010449527 555715370 /nfs/dbraw/zinc/71/53/70/555715370.db2.gz ZOSCDYFEQRCWJE-UHFFFAOYSA-N 0 0 485.005 4.832 40 0 JJABRN CS(=O)(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000010449591 555715691 /nfs/dbraw/zinc/71/56/91/555715691.db2.gz WUJOPNPZTBQQNM-UHFFFAOYSA-N 0 0 478.658 4.900 40 0 JJABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000010449817 555716250 /nfs/dbraw/zinc/71/62/50/555716250.db2.gz KBKJRVLLOWCFID-KRWDZBQOSA-N 0 0 454.979 4.898 40 0 JJABRN Cc1cccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000010449867 555716501 /nfs/dbraw/zinc/71/65/01/555716501.db2.gz NUQWKJAFNARVCS-GOSISDBHSA-N 0 0 454.979 4.822 40 0 JJABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccccn1)CN(Cc1ccccc1)CC2 ZINC000014162769 555716700 /nfs/dbraw/zinc/71/67/00/555716700.db2.gz UEQVUPMFWIDWSH-UHFFFAOYSA-N 0 0 467.616 4.609 40 0 JJABRN O=C(CSc1nnc(Cc2ccc(Br)cc2)o1)Nc1ccccc1Br ZINC000010475661 555719565 /nfs/dbraw/zinc/71/95/65/555719565.db2.gz SOHOCRJCARVHQQ-UHFFFAOYSA-N 0 0 483.185 4.916 40 0 JJABRN C[C@H]1CCCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)C1 ZINC000010541191 555724576 /nfs/dbraw/zinc/72/45/76/555724576.db2.gz CORBUBSGHDCULA-HNNXBMFYSA-N 0 0 474.932 4.813 40 0 JJABRN COc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020233725 555724969 /nfs/dbraw/zinc/72/49/69/555724969.db2.gz KXJNNSWEKCGZSZ-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN C[C@@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000020233771 555724991 /nfs/dbraw/zinc/72/49/91/555724991.db2.gz TWKJLSXAHDQLBY-QGZVFWFLSA-N 0 0 473.392 4.522 40 0 JJABRN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 ZINC000020234088 555725593 /nfs/dbraw/zinc/72/55/93/555725593.db2.gz WZGPVNREVRJYRR-UHFFFAOYSA-N 0 0 482.911 4.871 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1F ZINC000020234236 555725924 /nfs/dbraw/zinc/72/59/24/555725924.db2.gz GFCSANOPAZAZQB-UHFFFAOYSA-N 0 0 453.322 4.967 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000020234374 555726223 /nfs/dbraw/zinc/72/62/23/555726223.db2.gz PSGQVDPWRIJNTA-UHFFFAOYSA-N 0 0 478.492 4.856 40 0 JJABRN Cc1ccc(SCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020234839 555727111 /nfs/dbraw/zinc/72/71/11/555727111.db2.gz GHDYGSQMRCZTKD-UHFFFAOYSA-N 0 0 468.644 4.716 40 0 JJABRN CCOC(=O)c1c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)sc2c1CCCC2 ZINC000014186212 555727688 /nfs/dbraw/zinc/72/76/88/555727688.db2.gz BSHVQEKRUWAENO-UHFFFAOYSA-N 0 0 498.626 4.881 40 0 JJABRN Cc1ccc(SCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020236148 555729449 /nfs/dbraw/zinc/72/94/49/555729449.db2.gz DRIUJHKADFSTEQ-UHFFFAOYSA-N 0 0 472.607 4.546 40 0 JJABRN COc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020236438 555730015 /nfs/dbraw/zinc/73/00/15/555730015.db2.gz XJKFKMWOEXCZHU-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000020237263 555731372 /nfs/dbraw/zinc/73/13/72/555731372.db2.gz YGBLGZIHMKEXMK-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000010693229 555733748 /nfs/dbraw/zinc/73/37/48/555733748.db2.gz VPKUYOQIYUXZGZ-UHFFFAOYSA-N 0 0 455.407 4.736 40 0 JJABRN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000010693436 555733992 /nfs/dbraw/zinc/73/39/92/555733992.db2.gz TWYBUTAJHKSJDT-UHFFFAOYSA-N 0 0 459.439 4.542 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000020244276 555740401 /nfs/dbraw/zinc/74/04/01/555740401.db2.gz CFGBPWQAXZTNPH-MHZLTWQESA-N 0 0 473.598 4.853 40 0 JJABRN COc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2OC)c(OC)c1 ZINC000020246665 555741521 /nfs/dbraw/zinc/74/15/21/555741521.db2.gz RXTUFOCENRKKLS-UHFFFAOYSA-N 0 0 451.479 4.617 40 0 JJABRN CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)sc2c1CCC2 ZINC000014269544 555759493 /nfs/dbraw/zinc/75/94/93/555759493.db2.gz QIRPPJSVWDWBGC-UHFFFAOYSA-N 0 0 473.403 4.856 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c(F)c1F ZINC000014270764 555763620 /nfs/dbraw/zinc/76/36/20/555763620.db2.gz ZHENCSKYHAKSBA-UHFFFAOYSA-N 0 0 463.865 4.950 40 0 JJABRN COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2c(s1)c(C)ccc2C ZINC000014270807 555763900 /nfs/dbraw/zinc/76/39/00/555763900.db2.gz DAAAKUFSMMIPRS-UHFFFAOYSA-N 0 0 450.383 4.811 40 0 JJABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 ZINC000014271191 555765231 /nfs/dbraw/zinc/76/52/31/555765231.db2.gz SZQYNPSFDLFBFC-KPKJPENVSA-N 0 0 467.572 4.544 40 0 JJABRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000014272827 555771464 /nfs/dbraw/zinc/77/14/64/555771464.db2.gz PCDKMTQLPFBUMK-UHFFFAOYSA-N 0 0 473.577 4.910 40 0 JJABRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2Cl)CC1 ZINC000014273459 555773230 /nfs/dbraw/zinc/77/32/30/555773230.db2.gz XOIPZOOKTNWFJQ-UHFFFAOYSA-N 0 0 450.366 4.703 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)CC1 ZINC000014273510 555773597 /nfs/dbraw/zinc/77/35/97/555773597.db2.gz XPDLKCYDXINJJT-CMDGGOBGSA-N 0 0 462.377 4.713 40 0 JJABRN CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1 ZINC000014273608 555774012 /nfs/dbraw/zinc/77/40/12/555774012.db2.gz GWCIVQFHMNSWRL-UHFFFAOYSA-N 0 0 453.926 4.546 40 0 JJABRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1 ZINC000014273606 555774027 /nfs/dbraw/zinc/77/40/27/555774027.db2.gz OKFVRHYXAUZXDZ-UHFFFAOYSA-N 0 0 467.953 4.935 40 0 JJABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2C)cc1 ZINC000014273896 555775127 /nfs/dbraw/zinc/77/51/27/555775127.db2.gz CLOOBCUVJZXQOM-UHFFFAOYSA-N 0 0 480.619 4.639 40 0 JJABRN CCOc1ccccc1NC(=S)NC(=O)c1cc(Br)cc(Br)c1OC ZINC000014274324 555776506 /nfs/dbraw/zinc/77/65/06/555776506.db2.gz KIBWMRZBRLVNLW-UHFFFAOYSA-N 0 0 488.201 4.746 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 ZINC000014274488 555776784 /nfs/dbraw/zinc/77/67/84/555776784.db2.gz ZICALNWSUULUGY-UHFFFAOYSA-N 0 0 479.396 4.850 40 0 JJABRN O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCCO2 ZINC000014275204 555780146 /nfs/dbraw/zinc/78/01/46/555780146.db2.gz KPQNMLKLOKRNBR-UHFFFAOYSA-N 0 0 481.917 4.752 40 0 JJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c(F)c1F ZINC000014275276 555780326 /nfs/dbraw/zinc/78/03/26/555780326.db2.gz KQEGYCISIUUNMJ-UHFFFAOYSA-N 0 0 490.438 4.890 40 0 JJABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000014276232 555783067 /nfs/dbraw/zinc/78/30/67/555783067.db2.gz OQGFCYUAZABZGY-UHFFFAOYSA-N 0 0 484.803 4.895 40 0 JJABRN CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000014276513 555784020 /nfs/dbraw/zinc/78/40/20/555784020.db2.gz MIXRUWYVCVGGTG-LBPRGKRZSA-N 0 0 494.480 4.887 40 0 JJABRN CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000014276901 555784852 /nfs/dbraw/zinc/78/48/52/555784852.db2.gz SSVYZWHPTCGBGP-UHFFFAOYSA-N 0 0 497.020 4.785 40 0 JJABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc5ccccc5o4)cc3)CC2)c1 ZINC000020411653 555789286 /nfs/dbraw/zinc/78/92/86/555789286.db2.gz CDOBEJQJPVVDDW-UHFFFAOYSA-N 0 0 485.540 4.665 40 0 JJABRN O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl ZINC000020494603 555791770 /nfs/dbraw/zinc/79/17/70/555791770.db2.gz MUSLNZNEZJOQQY-HUUCEWRRSA-N 0 0 491.758 4.838 40 0 JJABRN COc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc(OC)c1OC ZINC000014291049 555791876 /nfs/dbraw/zinc/79/18/76/555791876.db2.gz INJRPMWLVBCUPB-UHFFFAOYSA-N 0 0 496.007 4.940 40 0 JJABRN O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000020528504 555792695 /nfs/dbraw/zinc/79/26/95/555792695.db2.gz MEVQXMXXUVURMT-UHFFFAOYSA-N 0 0 453.464 4.817 40 0 JJABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 ZINC000020528764 555793225 /nfs/dbraw/zinc/79/32/25/555793225.db2.gz NCDBLVRSESPXCM-UHFFFAOYSA-N 0 0 491.554 4.991 40 0 JJABRN COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000011666688 555797069 /nfs/dbraw/zinc/79/70/69/555797069.db2.gz BHDBMIZMDLRZTN-FKBYEOEOSA-N 0 0 497.334 4.831 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000011666676 555797199 /nfs/dbraw/zinc/79/71/99/555797199.db2.gz DZYCNEOIDRKCLN-FKBYEOEOSA-N 0 0 463.331 4.809 40 0 JJABRN Cc1cc(OS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)n(-c2cc(Cl)ccc2Cl)n1 ZINC000011691571 555800595 /nfs/dbraw/zinc/80/05/95/555800595.db2.gz QFEFYPKIPOXBFD-UHFFFAOYSA-N 0 0 488.352 4.998 40 0 JJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000014398342 555804284 /nfs/dbraw/zinc/80/42/84/555804284.db2.gz DNMAVSQKUCAMOK-XMMPIXPASA-N 0 0 468.575 4.909 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014399634 555805216 /nfs/dbraw/zinc/80/52/16/555805216.db2.gz QZFIHQPUNQWXTK-UHFFFAOYSA-N 0 0 465.786 4.840 40 0 JJABRN CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000014411291 555810313 /nfs/dbraw/zinc/81/03/13/555810313.db2.gz DGBZFVBFECACFF-UHFFFAOYSA-N 0 0 493.629 4.667 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1 ZINC000014412358 555811487 /nfs/dbraw/zinc/81/14/87/555811487.db2.gz HDLSAYLQYZXFLE-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)CS[C@@]23c2cc(C)cc4c2N(C3=O)C(C)(C)C[C@H]4C)cc1 ZINC000014671832 555837465 /nfs/dbraw/zinc/83/74/65/555837465.db2.gz KVUJBUPCDJRHMJ-AKJBCIBTSA-N 0 0 464.587 4.737 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)c(OC)c1 ZINC000021576904 555851614 /nfs/dbraw/zinc/85/16/14/555851614.db2.gz SMIRDEZCGVEVQE-UHFFFAOYSA-N 0 0 485.540 4.665 40 0 JJABRN CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc(O[C@@H](C)CC)c3)cc2s1 ZINC000021596060 555854282 /nfs/dbraw/zinc/85/42/82/555854282.db2.gz GXBSWXUCLCRWBO-ZDUSSCGKSA-N 0 0 456.593 4.949 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000021975473 555858606 /nfs/dbraw/zinc/85/86/06/555858606.db2.gz QDVRFSASCDJSHD-KRWDZBQOSA-N 0 0 460.962 4.956 40 0 JJABRN C[C@@H](c1nc2ccccc2c(OC2CCCCC2)n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022053082 555866611 /nfs/dbraw/zinc/86/66/11/555866611.db2.gz UROLHIALSSGFQE-IBGZPJMESA-N 0 0 498.624 4.548 40 0 JJABRN CCOc1cc(CNc2nnnn2CC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022111901 555878921 /nfs/dbraw/zinc/87/89/21/555878921.db2.gz FCCFHCBFILDCKP-UHFFFAOYSA-N 0 0 466.767 4.699 40 0 JJABRN COC(=O)c1ccc(NC(=O)CCCCCCCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000015134149 555879709 /nfs/dbraw/zinc/87/97/09/555879709.db2.gz NSHUAKIHRNKXDI-UHFFFAOYSA-N 0 0 454.523 4.568 40 0 JJABRN C[C@H](OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1)C(=O)c1ccccc1 ZINC000015222116 555885523 /nfs/dbraw/zinc/88/55/23/555885523.db2.gz RPSAGYPFQSRDOI-UUOWRZLLSA-N 0 0 456.498 4.682 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000022231582 555890242 /nfs/dbraw/zinc/89/02/42/555890242.db2.gz PULJGCWQHRHWJN-UHFFFAOYSA-N 0 0 452.576 4.596 40 0 JJABRN Cc1ccc(CN(c2ccc(OCC(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000022231893 555890865 /nfs/dbraw/zinc/89/08/65/555890865.db2.gz WZUHNIOYBMIWTH-UHFFFAOYSA-N 0 0 458.624 4.569 40 0 JJABRN C[C@@H](NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000022232053 555891092 /nfs/dbraw/zinc/89/10/92/555891092.db2.gz NIMNQTKCYAVQBV-GOSISDBHSA-N 0 0 472.994 4.562 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000022232047 555891143 /nfs/dbraw/zinc/89/11/43/555891143.db2.gz IUGKZPJQHOGOIL-UHFFFAOYSA-N 0 0 493.412 4.655 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 ZINC000022232023 555891155 /nfs/dbraw/zinc/89/11/55/555891155.db2.gz JKBSBUFMKMKOJW-UHFFFAOYSA-N 0 0 477.026 4.692 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232093 555891434 /nfs/dbraw/zinc/89/14/34/555891434.db2.gz VVZWLKGVFWYETF-UHFFFAOYSA-N 0 0 458.967 4.632 40 0 JJABRN Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C ZINC000022232110 555891444 /nfs/dbraw/zinc/89/14/44/555891444.db2.gz NTBLCFUXWVZQOL-UHFFFAOYSA-N 0 0 472.994 4.941 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 ZINC000022232178 555891456 /nfs/dbraw/zinc/89/14/56/555891456.db2.gz FVFHOVCQWKQLBY-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN CCc1cccc(C)c1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022232554 555891906 /nfs/dbraw/zinc/89/19/06/555891906.db2.gz UNYZGGCPNJQAJJ-UHFFFAOYSA-N 0 0 470.566 4.680 40 0 JJABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000022232640 555892143 /nfs/dbraw/zinc/89/21/43/555892143.db2.gz WJZKTYGMDSWTGC-UHFFFAOYSA-N 0 0 496.482 4.828 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCCCC2)cc1 ZINC000022232955 555892766 /nfs/dbraw/zinc/89/27/66/555892766.db2.gz XEUYWZUTFDILBT-UHFFFAOYSA-N 0 0 465.015 4.524 40 0 JJABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000022233357 555893367 /nfs/dbraw/zinc/89/33/67/555893367.db2.gz UCYYFYRFNIMYQC-UHFFFAOYSA-N 0 0 480.920 4.602 40 0 JJABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022233554 555893628 /nfs/dbraw/zinc/89/36/28/555893628.db2.gz XLOSSMSMCHWZBC-UHFFFAOYSA-N 0 0 476.957 4.771 40 0 JJABRN CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237009 555894790 /nfs/dbraw/zinc/89/47/90/555894790.db2.gz AKHNMSIMNFMAEI-UHFFFAOYSA-N 0 0 457.496 4.619 40 0 JJABRN CCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237012 555894847 /nfs/dbraw/zinc/89/48/47/555894847.db2.gz WGFVUDHARZIPHJ-RMKNXTFCSA-N 0 0 469.507 4.511 40 0 JJABRN O[C@H](CNc1ccc(Cc2ccc(NC[C@H](O)COc3ccccc3)cc2)cc1)COc1ccccc1 ZINC000015318933 555897303 /nfs/dbraw/zinc/89/73/03/555897303.db2.gz VZGZPACNSRLDLH-ISILISOKSA-N 0 0 498.623 4.981 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000022247869 555898108 /nfs/dbraw/zinc/89/81/08/555898108.db2.gz QJYCSBVDONMJMX-UUOWRZLLSA-N 0 0 487.021 4.506 40 0 JJABRN CCOC(=O)[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1C(=S)NCc1ccccc1 ZINC000015321265 555898445 /nfs/dbraw/zinc/89/84/45/555898445.db2.gz CXEWTAOHANOUFM-ZWKOTPCHSA-N 0 0 454.539 4.759 40 0 JJABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000022249039 555899537 /nfs/dbraw/zinc/89/95/37/555899537.db2.gz QCHINTURGHXQQT-UHFFFAOYSA-N 0 0 487.021 4.655 40 0 JJABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC)S(C)(=O)=O ZINC000022252287 555900901 /nfs/dbraw/zinc/90/09/01/555900901.db2.gz CGLOJYFAAZFZOC-UHFFFAOYSA-N 0 0 495.601 4.870 40 0 JJABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000022252987 555901303 /nfs/dbraw/zinc/90/13/03/555901303.db2.gz DSAJQNQVKIAMQV-UHFFFAOYSA-N 0 0 486.615 4.893 40 0 JJABRN COc1cc(C(=O)Nc2cc(C)ccc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253368 555901482 /nfs/dbraw/zinc/90/14/82/555901482.db2.gz RHFIKKNIDCPCFA-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253383 555901584 /nfs/dbraw/zinc/90/15/84/555901584.db2.gz MJSYCIRJBGVFAA-UHFFFAOYSA-N 0 0 468.575 4.539 40 0 JJABRN COc1cc(C(=O)Nc2cccc(SC)c2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253553 555901809 /nfs/dbraw/zinc/90/18/09/555901809.db2.gz BOSHPVBJDSGNCJ-UHFFFAOYSA-N 0 0 486.615 4.644 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253954 555902337 /nfs/dbraw/zinc/90/23/37/555902337.db2.gz BZNBHRUHTAMJJB-UHFFFAOYSA-N 0 0 474.966 4.576 40 0 JJABRN COc1cc(C(=O)Nc2cccc(F)c2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254019 555902383 /nfs/dbraw/zinc/90/23/83/555902383.db2.gz OAFDFDQLSNRGBC-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN COc1cc(C(=O)Nc2cccc(C)c2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253960 555902405 /nfs/dbraw/zinc/90/24/05/555902405.db2.gz CKMGFXSBFDUCSV-UHFFFAOYSA-N 0 0 488.993 4.884 40 0 JJABRN COc1cc(C(=O)Nc2ccccc2Cl)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254449 555902898 /nfs/dbraw/zinc/90/28/98/555902898.db2.gz KXROTYWEMPGWPV-UHFFFAOYSA-N 0 0 492.956 4.715 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1C ZINC000022268256 555907004 /nfs/dbraw/zinc/90/70/04/555907004.db2.gz WIGUPIPWRUQFMQ-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2C)cc1C ZINC000022268250 555907019 /nfs/dbraw/zinc/90/70/19/555907019.db2.gz FGDHPWGYCUKLBY-XMMPIXPASA-N 0 0 466.603 4.539 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)cc2C)cc1C ZINC000022268362 555907297 /nfs/dbraw/zinc/90/72/97/555907297.db2.gz WZUGUWXDKHSLAJ-HSZRJFAPSA-N 0 0 487.021 4.884 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C)cc1Cl ZINC000022269439 555908115 /nfs/dbraw/zinc/90/81/15/555908115.db2.gz LWQVECVPVHGHPB-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000022269446 555908311 /nfs/dbraw/zinc/90/83/11/555908311.db2.gz YFNIRHIWQYFMMM-JOCHJYFZSA-N 0 0 472.994 4.575 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCCCC2)cc1Cl ZINC000022269796 555908625 /nfs/dbraw/zinc/90/86/25/555908625.db2.gz YUMYVESFMYWOMN-HSZRJFAPSA-N 0 0 493.069 4.857 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 ZINC000015438940 555908704 /nfs/dbraw/zinc/90/87/04/555908704.db2.gz JQTVQJSQVHMETE-UHFFFAOYSA-N 0 0 484.574 4.692 40 0 JJABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)cc1 ZINC000015438984 555909099 /nfs/dbraw/zinc/90/90/99/555909099.db2.gz CFIHXSSPDDZQJE-UHFFFAOYSA-N 0 0 484.574 4.936 40 0 JJABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022271487 555909293 /nfs/dbraw/zinc/90/92/93/555909293.db2.gz IFHCYWIYYQHBGI-JOCHJYFZSA-N 0 0 493.412 4.920 40 0 JJABRN Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000015453096 555909904 /nfs/dbraw/zinc/90/99/04/555909904.db2.gz FILAKRPRNVBQAS-RTWAWAEBSA-N 0 0 493.629 4.588 40 0 JJABRN CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000022273457 555910432 /nfs/dbraw/zinc/91/04/32/555910432.db2.gz IPNPGYLITFGUDM-UHFFFAOYSA-N 0 0 477.413 4.988 40 0 JJABRN Cc1ccc(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022274297 555911023 /nfs/dbraw/zinc/91/10/23/555911023.db2.gz XHWPLOOCBIBFSA-UHFFFAOYSA-N 0 0 473.392 4.900 40 0 JJABRN CCc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000022274308 555911038 /nfs/dbraw/zinc/91/10/38/555911038.db2.gz QUABRCAYEJFTQT-UHFFFAOYSA-N 0 0 473.392 4.846 40 0 JJABRN Cc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274360 555911283 /nfs/dbraw/zinc/91/12/83/555911283.db2.gz GZWGKTDCUCYIPS-UHFFFAOYSA-N 0 0 459.365 4.592 40 0 JJABRN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 ZINC000022274576 555911620 /nfs/dbraw/zinc/91/16/20/555911620.db2.gz OXTSLMARTQENBI-UHFFFAOYSA-N 0 0 463.386 4.548 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275416 555912439 /nfs/dbraw/zinc/91/24/39/555912439.db2.gz IXWVMHOCNYFTPX-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022275422 555912463 /nfs/dbraw/zinc/91/24/63/555912463.db2.gz DZBNACOPQKIFCZ-UHFFFAOYSA-N 0 0 480.586 4.623 40 0 JJABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022275856 555913181 /nfs/dbraw/zinc/91/31/81/555913181.db2.gz OAVSKXWEDPAPAI-UHFFFAOYSA-N 0 0 486.977 4.659 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(Br)c2)cc1 ZINC000022276232 555913436 /nfs/dbraw/zinc/91/34/36/555913436.db2.gz IGWDCIYOASNGSZ-UHFFFAOYSA-N 0 0 487.419 4.611 40 0 JJABRN CCOc1ccccc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276567 555914023 /nfs/dbraw/zinc/91/40/23/555914023.db2.gz IHHQTVGCUHWKGB-UHFFFAOYSA-N 0 0 452.576 4.845 40 0 JJABRN COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022276514 555914095 /nfs/dbraw/zinc/91/40/95/555914095.db2.gz MYPNTWXQRBXZRU-UHFFFAOYSA-N 0 0 452.576 4.961 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277344 555914888 /nfs/dbraw/zinc/91/48/88/555914888.db2.gz QHFGURGVNLAJNR-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022277340 555914895 /nfs/dbraw/zinc/91/48/95/555914895.db2.gz IDCMEEFKPMVRHZ-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN CCOc1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000022277370 555914898 /nfs/dbraw/zinc/91/48/98/555914898.db2.gz DHODIKJUEQZZMP-UHFFFAOYSA-N 0 0 468.575 4.545 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2cccc(Cl)c2C)cc1 ZINC000022277737 555915460 /nfs/dbraw/zinc/91/54/60/555915460.db2.gz PFCXCLCXYZQVPJ-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN COc1ccc(OC)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022277855 555915715 /nfs/dbraw/zinc/91/57/15/555915715.db2.gz YVPYLOUPYDSFQN-UHFFFAOYSA-N 0 0 488.993 4.808 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022278157 555916006 /nfs/dbraw/zinc/91/60/06/555916006.db2.gz YTSJBZRTTZFCGD-UHFFFAOYSA-N 0 0 462.921 4.635 40 0 JJABRN CCOc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000022278557 555916508 /nfs/dbraw/zinc/91/65/08/555916508.db2.gz OAVCHNZIEGCYCF-UHFFFAOYSA-N 0 0 470.616 4.950 40 0 JJABRN COc1ccc([C@H](C)NC(=O)CN(c2cccc3cccnc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022279090 555916798 /nfs/dbraw/zinc/91/67/98/555916798.db2.gz KOXJNDUTMVFTIT-FQEVSTJZSA-N 0 0 489.597 4.625 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)c2ccccc2C)cc1 ZINC000022316051 555921040 /nfs/dbraw/zinc/92/10/40/555921040.db2.gz KBEXXQWMHLEDAQ-QFIPXVFZSA-N 0 0 450.604 4.993 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 ZINC000022324845 555921586 /nfs/dbraw/zinc/92/15/86/555921586.db2.gz QZLHCKCZUKZVSU-XMMPIXPASA-N 0 0 478.614 4.701 40 0 JJABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000022341507 555923190 /nfs/dbraw/zinc/92/31/90/555923190.db2.gz YANAHRJUXHVDIE-AWEZNQCLSA-N 0 0 462.921 4.619 40 0 JJABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 ZINC000022361576 555925718 /nfs/dbraw/zinc/92/57/18/555925718.db2.gz KJVZEXAFQDENQO-QHCPKHFHSA-N 0 0 454.979 4.729 40 0 JJABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1I ZINC000022391407 555928948 /nfs/dbraw/zinc/92/89/48/555928948.db2.gz RTPLDBLVOOTSRK-UHFFFAOYSA-N 0 0 457.358 4.787 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c2ccc(F)cc2)cc1 ZINC000022523145 555930918 /nfs/dbraw/zinc/93/09/18/555930918.db2.gz VTXWJCBTNQDMSE-VWLOTQADSA-N 0 0 484.593 4.933 40 0 JJABRN CCc1ccccc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000022523798 555930938 /nfs/dbraw/zinc/93/09/38/555930938.db2.gz MDBYNHIASBNDFF-UHFFFAOYSA-N 0 0 456.995 4.756 40 0 JJABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)c(C)c1 ZINC000022529321 555931159 /nfs/dbraw/zinc/93/11/59/555931159.db2.gz HLESXHCGVHBSIG-UHFFFAOYSA-N 0 0 450.402 4.739 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Br ZINC000022531370 555932163 /nfs/dbraw/zinc/93/21/63/555932163.db2.gz KXARRJZFUDAYLB-UHFFFAOYSA-N 0 0 451.276 4.511 40 0 JJABRN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 ZINC000022536766 555933663 /nfs/dbraw/zinc/93/36/63/555933663.db2.gz PIXGSQBRGFCMOP-VGOFMYFVSA-N 0 0 454.621 4.559 40 0 JJABRN COc1cc(CN(C(=O)c2cc(Cl)ccc2Cl)C2CCCCC2)ccc1OCC(N)=O ZINC000022575146 555938623 /nfs/dbraw/zinc/93/86/23/555938623.db2.gz FNETUAFNEMFHLV-UHFFFAOYSA-N 0 0 465.377 4.841 40 0 JJABRN C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000022578665 555939052 /nfs/dbraw/zinc/93/90/52/555939052.db2.gz NDJWWUFHVMGDMB-CQSZACIVSA-N 0 0 467.308 4.918 40 0 JJABRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000022579882 555939660 /nfs/dbraw/zinc/93/96/60/555939660.db2.gz HLNRQVYSBAFKJU-UHFFFAOYSA-N 0 0 467.978 4.562 40 0 JJABRN COc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1N1C(=O)c2ccccc2C1=O ZINC000022709564 555945377 /nfs/dbraw/zinc/94/53/77/555945377.db2.gz GHVWFGUHEFUWAG-UHFFFAOYSA-N 0 0 473.554 4.746 40 0 JJABRN COC(=O)c1sc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)nc1C ZINC000022712146 555946317 /nfs/dbraw/zinc/94/63/17/555946317.db2.gz MCNYPWFPRKQIBI-VQHVLOKHSA-N 0 0 475.979 4.986 40 0 JJABRN CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2s1 ZINC000022713517 555946799 /nfs/dbraw/zinc/94/67/99/555946799.db2.gz LQSXVPRVRDYDCY-UHFFFAOYSA-N 0 0 477.409 4.924 40 0 JJABRN C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)Nc3nccs3)c3nc(-c4ccsc4)sc3C[C@H]12 ZINC000015709419 555954242 /nfs/dbraw/zinc/95/42/42/555954242.db2.gz ZSHYEGDKYRTXOW-CUBWWMDSSA-N 0 0 489.688 4.772 40 0 biogenic,in-vitro JJABRN COC(=O)[C@H]1C(=O)Oc2ccc3ccccc3c2[C@H]1[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000012383361 555971495 /nfs/dbraw/zinc/97/14/95/555971495.db2.gz XEORBFKZSBAWIA-DYHNYNMBSA-N 0 0 467.315 4.913 40 0 JJABRN O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1cc(Br)cc(Br)c1 ZINC000012428298 555979568 /nfs/dbraw/zinc/97/95/68/555979568.db2.gz FMFWWEBLWYUAAT-UHFFFAOYSA-N 0 0 479.062 4.764 40 0 JJABRN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCN(C)CC2)cc1OC ZINC000023292194 556038355 /nfs/dbraw/zinc/03/83/55/556038355.db2.gz HVQHJZYYDRVJNT-VWLOTQADSA-N 0 0 479.646 4.971 40 0 JJABRN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1 ZINC000023352781 556048154 /nfs/dbraw/zinc/04/81/54/556048154.db2.gz ZUHGXXHPRUWHFD-UHFFFAOYSA-N 0 0 478.568 4.920 40 0 JJABRN Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c12 ZINC000012566854 556065364 /nfs/dbraw/zinc/06/53/64/556065364.db2.gz PXVBEOBPHPBFTN-CJAUYULYSA-N 0 0 454.578 4.869 40 0 JJABRN c1ccc2c(c1)nnn2[C@@H](NC1CCCCC1)[C@@H](NC1CCCCC1)n1nnc2ccccc21 ZINC000023469485 556073632 /nfs/dbraw/zinc/07/36/32/556073632.db2.gz BUSAACUHTXKBEK-WMPKNSHKSA-N 0 0 458.614 4.718 40 0 JJABRN COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCCC1 ZINC000015963707 556093483 /nfs/dbraw/zinc/09/34/83/556093483.db2.gz ZVGFNWILJCQYTQ-UHFFFAOYSA-N 0 0 452.532 4.524 40 0 JJABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000012857666 556118351 /nfs/dbraw/zinc/11/83/51/556118351.db2.gz ZTAJBEMAVIRKOC-UHFFFAOYSA-N 0 0 469.375 4.697 40 0 JJABRN CCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)c(Cl)c2)C3=O)o1 ZINC000024522679 556133653 /nfs/dbraw/zinc/13/36/53/556133653.db2.gz GLJFQGXPWGJVNT-UHFFFAOYSA-N 0 0 467.861 4.576 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1 ZINC000016399215 556137487 /nfs/dbraw/zinc/13/74/87/556137487.db2.gz HGAWCLLQCXWVDZ-UHFFFAOYSA-N 0 0 473.748 4.681 40 0 JJABRN O=C(Nc1cc(Cl)ccc1C(=O)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606539 556138880 /nfs/dbraw/zinc/13/88/80/556138880.db2.gz SPXAFIGTQAHVKT-KRWDZBQOSA-N 0 0 489.018 4.672 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1Oc1ccccc1 ZINC000025318835 556208278 /nfs/dbraw/zinc/20/82/78/556208278.db2.gz ONQADPBGZVJFRS-UHFFFAOYSA-N 0 0 450.560 4.835 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1Cl ZINC000013023477 556212640 /nfs/dbraw/zinc/21/26/40/556212640.db2.gz VKKXBPBXKKSDFH-DEOSSOPVSA-N 0 0 490.995 4.559 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C(C)C)cc1)N(C(=O)Cn1nnc2ccccc21)C1CC1 ZINC000013023991 556213896 /nfs/dbraw/zinc/21/38/96/556213896.db2.gz ZADYKHSEQSSIQA-RUZDIDTESA-N 0 0 461.610 4.592 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC ZINC000013024376 556214249 /nfs/dbraw/zinc/21/42/49/556214249.db2.gz XJUJNGVPRLFGHY-MHZLTWQESA-N 0 0 499.615 4.828 40 0 JJABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C(=O)OC)c2)cc1 ZINC000013025496 556216146 /nfs/dbraw/zinc/21/61/46/556216146.db2.gz VQRVOMLOVUPDJR-RUZDIDTESA-N 0 0 490.556 4.912 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025597 556216341 /nfs/dbraw/zinc/21/63/41/556216341.db2.gz OCPCZLSKHKIASM-JOCHJYFZSA-N 0 0 451.548 4.746 40 0 JJABRN CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000013025585 556216367 /nfs/dbraw/zinc/21/63/67/556216367.db2.gz QJGXHDSSMHTNBL-JOCHJYFZSA-N 0 0 466.559 4.965 40 0 JJABRN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000017086318 556216581 /nfs/dbraw/zinc/21/65/81/556216581.db2.gz HUHYNEJAAACTJI-SANMLTNESA-N 0 0 497.555 4.802 40 0 JJABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2OCc2ccc(F)cc2)n2ncnc2N1 ZINC000017086329 556216666 /nfs/dbraw/zinc/21/66/66/556216666.db2.gz HDWVFERWYRBSLM-XMMPIXPASA-N 0 0 455.493 4.924 40 0 JJABRN CC(=O)c1cc2c(cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F)OCO2 ZINC000013025746 556216678 /nfs/dbraw/zinc/21/66/78/556216678.db2.gz WFNGDWBJZJKCGZ-VWLOTQADSA-N 0 0 492.503 4.797 40 0 JJABRN COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)cc1 ZINC000013025948 556217203 /nfs/dbraw/zinc/21/72/03/556217203.db2.gz JBAGPDDDSMLKDN-RUZDIDTESA-N 0 0 492.572 4.748 40 0 JJABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc3c(c2)OCCO3)c1 ZINC000013025883 556217217 /nfs/dbraw/zinc/21/72/17/556217217.db2.gz GRCGTRGOEQPQOX-RUZDIDTESA-N 0 0 476.529 4.506 40 0 JJABRN COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013026040 556217529 /nfs/dbraw/zinc/21/75/29/556217529.db2.gz FVCYJWKHCWGNMG-DEOSSOPVSA-N 0 0 478.545 4.752 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1OC ZINC000013026328 556218126 /nfs/dbraw/zinc/21/81/26/556218126.db2.gz RBEBDLSXFJPXAF-VWLOTQADSA-N 0 0 462.546 4.739 40 0 JJABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1OC ZINC000013026318 556218144 /nfs/dbraw/zinc/21/81/44/556218144.db2.gz XLQJXJQRNXYCNK-RUZDIDTESA-N 0 0 480.536 4.878 40 0 JJABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccc(OC)c2)C(=O)c2ccco2)cc1 ZINC000013026512 556218695 /nfs/dbraw/zinc/21/86/95/556218695.db2.gz QJKLZJWUJBLCMH-VWLOTQADSA-N 0 0 462.546 4.739 40 0 JJABRN CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000013026895 556219816 /nfs/dbraw/zinc/21/98/16/556219816.db2.gz VWFKFURSPNPXAG-RUZDIDTESA-N 0 0 459.546 4.993 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013029574 556223914 /nfs/dbraw/zinc/22/39/14/556223914.db2.gz RNBYKRDWYAISHY-HHHXNRCGSA-N 0 0 467.573 4.573 40 0 JJABRN Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1C ZINC000013029568 556223943 /nfs/dbraw/zinc/22/39/43/556223943.db2.gz AZGTWGVCVZJKTO-MUUNZHRXSA-N 0 0 481.600 4.881 40 0 JJABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013030189 556225092 /nfs/dbraw/zinc/22/50/92/556225092.db2.gz CRZAWBGISVXXBW-MHZLTWQESA-N 0 0 485.563 4.712 40 0 JJABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)cc1 ZINC000013030673 556225865 /nfs/dbraw/zinc/22/58/65/556225865.db2.gz LJELTRYYDMIPHL-NDEPHWFRSA-N 0 0 499.615 4.685 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)C)cc1 ZINC000013031165 556226976 /nfs/dbraw/zinc/22/69/76/556226976.db2.gz VPIPDSLZNDKJAJ-NDEPHWFRSA-N 0 0 498.631 4.887 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013031361 556227441 /nfs/dbraw/zinc/22/74/41/556227441.db2.gz KVNIKBZGACNBBN-DEOSSOPVSA-N 0 0 479.968 4.615 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1 ZINC000013031374 556227718 /nfs/dbraw/zinc/22/77/18/556227718.db2.gz OMZPRKXTXBSIIZ-XMMPIXPASA-N 0 0 479.968 4.615 40 0 JJABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000013031377 556227764 /nfs/dbraw/zinc/22/77/64/556227764.db2.gz XKGDUBKIHMGVPV-DEOSSOPVSA-N 0 0 497.958 4.754 40 0 JJABRN Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)c(C)c1 ZINC000013031488 556228063 /nfs/dbraw/zinc/22/80/63/556228063.db2.gz LLJYOJGQMGILMI-HHHXNRCGSA-N 0 0 487.604 4.886 40 0 JJABRN CC(C)CCNC(=O)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013031664 556228902 /nfs/dbraw/zinc/22/89/02/556228902.db2.gz LVQHBZMKJCEOOW-RUZDIDTESA-N 0 0 493.608 4.564 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 ZINC000013031869 556229620 /nfs/dbraw/zinc/22/96/20/556229620.db2.gz ZAMBJZJZZPXSMH-XMMPIXPASA-N 0 0 493.011 4.503 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032064 556230219 /nfs/dbraw/zinc/23/02/19/556230219.db2.gz ISWIYZYXLBADJO-AREMUKBSSA-N 0 0 487.604 4.716 40 0 JJABRN CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013032055 556230280 /nfs/dbraw/zinc/23/02/80/556230280.db2.gz RSOURXHUDWCWOB-VWLOTQADSA-N 0 0 491.567 4.547 40 0 JJABRN CCc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1ccc(C)o1 ZINC000013032217 556230839 /nfs/dbraw/zinc/23/08/39/556230839.db2.gz VREHDAXZZYHDIV-AREMUKBSSA-N 0 0 487.604 4.974 40 0 JJABRN CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013032595 556231764 /nfs/dbraw/zinc/23/17/64/556231764.db2.gz QNTGMDDOLPXROQ-XMMPIXPASA-N 0 0 475.618 4.568 40 0 JJABRN COc1ccc(/C=C2/S[C@H](c3ccc(OC)cc3)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000017219241 556242445 /nfs/dbraw/zinc/24/24/45/556242445.db2.gz UOWWEDGQVOWKPM-CINCIDGWSA-N 0 0 460.555 4.593 40 0 JJABRN CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000026114099 556245112 /nfs/dbraw/zinc/24/51/12/556245112.db2.gz RYXFMACGSJAKCL-UHFFFAOYSA-N 0 0 497.642 4.842 40 0 JJABRN CSc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCCCC1 ZINC000026115722 556246044 /nfs/dbraw/zinc/24/60/44/556246044.db2.gz XPLJQPIHGYRYJW-UHFFFAOYSA-N 0 0 469.426 4.598 40 0 JJABRN CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000026116143 556246354 /nfs/dbraw/zinc/24/63/54/556246354.db2.gz BNMLDTZYLOZJQK-UHFFFAOYSA-N 0 0 472.676 4.678 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCC(C)CC1 ZINC000026118809 556247861 /nfs/dbraw/zinc/24/78/61/556247861.db2.gz IEVIUIGZESUUJJ-UHFFFAOYSA-N 0 0 470.726 4.625 40 0 JJABRN COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1Cl ZINC000026118668 556247968 /nfs/dbraw/zinc/24/79/68/556247968.db2.gz FUKGISJRPODADZ-UHFFFAOYSA-N 0 0 469.028 4.743 40 0 JJABRN CSc1ccc(S(=O)(=O)NCCSCc2ccccc2C)cc1C(=O)N1CCCCCC1 ZINC000026120223 556248843 /nfs/dbraw/zinc/24/88/43/556248843.db2.gz LOXFDRICCKSGDH-UHFFFAOYSA-N 0 0 492.732 4.945 40 0 JJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(I)c4)cc3n2)cc1 ZINC000026124659 556249828 /nfs/dbraw/zinc/24/98/28/556249828.db2.gz VAQWRTSSZZKOSD-UHFFFAOYSA-N 0 0 484.297 4.594 40 0 JJABRN CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063973 556261464 /nfs/dbraw/zinc/26/14/64/556261464.db2.gz RADLMEHAMYGSMF-AREMUKBSSA-N 0 0 470.621 4.962 40 0 JJABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064497 556261838 /nfs/dbraw/zinc/26/18/38/556261838.db2.gz VUQUISMNEHWUDQ-NRFANRHFSA-N 0 0 482.629 4.573 40 0 JJABRN CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064332 556261890 /nfs/dbraw/zinc/26/18/90/556261890.db2.gz AQWDPTZYVUKDPQ-VWLOTQADSA-N 0 0 490.583 4.607 40 0 JJABRN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000026841176 556264050 /nfs/dbraw/zinc/26/40/50/556264050.db2.gz UIBBIPGKCNTOPM-OAQYLSRUSA-N 0 0 463.921 4.735 40 0 JJABRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[nH]3)C2)c1 ZINC000013083672 556280708 /nfs/dbraw/zinc/28/07/08/556280708.db2.gz BZMBXVQKNGREPG-QGZVFWFLSA-N 0 0 497.386 4.610 40 0 JJABRN CCCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[nH]2)C1 ZINC000013083659 556280733 /nfs/dbraw/zinc/28/07/33/556280733.db2.gz DBYVKIXGTZMDIS-MRXNPFEDSA-N 0 0 491.423 4.958 40 0 JJABRN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)C2)c(C)c1 ZINC000013085981 556285227 /nfs/dbraw/zinc/28/52/27/556285227.db2.gz ZCUPINFQEQWZCS-HSZRJFAPSA-N 0 0 468.605 4.804 40 0 JJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000018127916 556291903 /nfs/dbraw/zinc/29/19/03/556291903.db2.gz IQBCKQICGVMOMB-BDTNDASRSA-N 0 0 452.432 4.752 40 0 JJABRN CC1=C(C(N)=O)[C@H](c2cc(Br)ccc2OCc2ccc(C(C)(C)C)cc2)N2NN=NC2=N1 ZINC000027563805 556297480 /nfs/dbraw/zinc/29/74/80/556297480.db2.gz DQOTYGDQVMENMI-FQEVSTJZSA-N 0 0 497.397 4.683 40 0 JJABRN C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000027840387 556309088 /nfs/dbraw/zinc/30/90/88/556309088.db2.gz GZMOQJIOVKRXED-UHFFFAOYSA-N 0 0 458.539 4.911 40 0 JJABRN Cc1ccc2nc(NC(=S)NC(=O)c3cc(I)ccc3Cl)sc2c1 ZINC000027903638 556309565 /nfs/dbraw/zinc/30/95/65/556309565.db2.gz CBPPZIDQEGPLMU-UHFFFAOYSA-N 0 0 487.775 4.990 40 0 JJABRN NC(=O)c1c2c(sc1NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N3)CCCCC2 ZINC000018210516 556310803 /nfs/dbraw/zinc/31/08/03/556310803.db2.gz NDKZPLDSDGAJAO-BLLLJJGKSA-N 0 0 493.511 4.818 40 0 JJABRN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2N1C(=O)c1ccccc1 ZINC000028206909 556317753 /nfs/dbraw/zinc/31/77/53/556317753.db2.gz DJNQPTLZEJLQRC-OAHLLOKOSA-N 0 0 471.376 4.841 40 0 JJABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028208553 556318807 /nfs/dbraw/zinc/31/88/07/556318807.db2.gz KEEIWBFUJTWOEH-UHFFFAOYSA-N 0 0 497.016 4.927 40 0 JJABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCCCC4)cc3c2)cc1OC ZINC000028208983 556319541 /nfs/dbraw/zinc/31/95/41/556319541.db2.gz YAKWOZOQZLPOAK-UHFFFAOYSA-N 0 0 488.631 4.760 40 0 JJABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(F)c2)C1)Nc1ccc(F)c(F)c1 ZINC000019075156 556327521 /nfs/dbraw/zinc/32/75/21/556327521.db2.gz IFTFMYNCWGVJES-KBPBESRZSA-N 0 0 452.452 4.993 40 0 JJABRN C[C@@H](OC(=O)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000013117785 556329212 /nfs/dbraw/zinc/32/92/12/556329212.db2.gz PFHCAMPYFCRNSJ-FUAXXHJTSA-N 0 0 476.198 4.993 40 0 JJABRN O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1cccc(C(F)(F)F)c1 ZINC000028295140 556330325 /nfs/dbraw/zinc/33/03/25/556330325.db2.gz SJKGIOHIHABJIS-IIBYNOLFSA-N 0 0 492.500 4.627 40 0 JJABRN CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 ZINC000028296145 556330522 /nfs/dbraw/zinc/33/05/22/556330522.db2.gz PVPWZMTYIWTMCW-XMMPIXPASA-N 0 0 483.996 4.833 40 0 JJABRN COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000028362888 556332288 /nfs/dbraw/zinc/33/22/88/556332288.db2.gz XNRAAMYIQHPHMO-UHFFFAOYSA-N 0 0 451.379 4.938 40 0 JJABRN COc1ccc(OC)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 ZINC000028527866 556335008 /nfs/dbraw/zinc/33/50/08/556335008.db2.gz ODCOLXQLXULCAW-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(Cl)ccc2OC)c1 ZINC000028534865 556335331 /nfs/dbraw/zinc/33/53/31/556335331.db2.gz FZTATQZPGWSXNO-UHFFFAOYSA-N 0 0 455.946 4.914 40 0 JJABRN CCCCn1nnnc1COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616792 556337098 /nfs/dbraw/zinc/33/70/98/556337098.db2.gz GTMOSGFEISRZSV-UHFFFAOYSA-N 0 0 469.640 4.771 40 0 JJABRN Cc1cc(I)ccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000028831406 556342040 /nfs/dbraw/zinc/34/20/40/556342040.db2.gz UMBSMUVZPJOMQW-UHFFFAOYSA-N 0 0 484.750 4.769 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000029145033 556348055 /nfs/dbraw/zinc/34/80/55/556348055.db2.gz QCMBILXPPBVKQA-UHFFFAOYSA-N 0 0 452.576 4.790 40 0 JJABRN CCC(C)(C)n1nnnc1CN(Cc1ccccc1Cl)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000019499749 556349709 /nfs/dbraw/zinc/34/97/09/556349709.db2.gz RKYDGSPSZHRESW-UHFFFAOYSA-N 0 0 465.001 4.824 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000030751156 556371246 /nfs/dbraw/zinc/37/12/46/556371246.db2.gz AVPDZTLDZIDDFP-JOCHJYFZSA-N 0 0 499.460 4.811 40 0 JJABRN COc1cccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000030752591 556371610 /nfs/dbraw/zinc/37/16/10/556371610.db2.gz UNODSFPXRZHZEW-UHFFFAOYSA-N 0 0 472.994 4.511 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000030753428 556371857 /nfs/dbraw/zinc/37/18/57/556371857.db2.gz UFBYHLJBVCBMFM-QHCPKHFHSA-N 0 0 466.603 4.775 40 0 JJABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Sc2ccccc2)Oc2ccc(Cl)cc21 ZINC000030754626 556372497 /nfs/dbraw/zinc/37/24/97/556372497.db2.gz GMXXFCZXUPPFLK-HXUWFJFHSA-N 0 0 474.991 4.657 40 0 JJABRN CN(C(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)C1CCCCC1 ZINC000030758537 556374144 /nfs/dbraw/zinc/37/41/44/556374144.db2.gz VHCGXBZMCMXCOE-UHFFFAOYSA-N 0 0 458.668 4.712 40 0 JJABRN CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OCC ZINC000030847322 556375753 /nfs/dbraw/zinc/37/57/53/556375753.db2.gz AVPBKPPEYJKNOC-UHFFFAOYSA-N 0 0 486.565 4.995 40 0 JJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(I)cc2C)cc1OC ZINC000030858595 556380884 /nfs/dbraw/zinc/38/08/84/556380884.db2.gz XGBNKGKUMDTQMP-LBPRGKRZSA-N 0 0 457.333 4.736 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2cccc(Cl)c2)cc1 ZINC000030859845 556381217 /nfs/dbraw/zinc/38/12/17/556381217.db2.gz GOWNQPXFLLQYPW-INIZCTEOSA-N 0 0 476.957 4.560 40 0 JJABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OC ZINC000030861325 556381958 /nfs/dbraw/zinc/38/19/58/556381958.db2.gz IHJDYAYPSWFQHG-FQEVSTJZSA-N 0 0 476.573 4.699 40 0 JJABRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000030862948 556382419 /nfs/dbraw/zinc/38/24/19/556382419.db2.gz MSHIGXYSXAMNCP-QGZVFWFLSA-N 0 0 455.407 4.607 40 0 JJABRN COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1OC ZINC000019816499 556383028 /nfs/dbraw/zinc/38/30/28/556383028.db2.gz SVQQUOOWPSWQKR-GOSISDBHSA-N 0 0 460.559 4.655 40 0 JJABRN COc1cc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc(OC)c1OC ZINC000019816675 556383473 /nfs/dbraw/zinc/38/34/73/556383473.db2.gz HOZDWYDZPOXAJR-QGZVFWFLSA-N 0 0 490.585 4.664 40 0 JJABRN CC(C)C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 ZINC000030867973 556383703 /nfs/dbraw/zinc/38/37/03/556383703.db2.gz HEAPIKAOMUAURV-RDGATRHJSA-N 0 0 464.587 4.547 40 0 JJABRN CC[C@@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000030868001 556383770 /nfs/dbraw/zinc/38/37/70/556383770.db2.gz KRJDFSLIJLBZOP-XMMPIXPASA-N 0 0 496.629 4.783 40 0 JJABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000030870517 556385113 /nfs/dbraw/zinc/38/51/13/556385113.db2.gz JRZJDCURTXEODH-IBGZPJMESA-N 0 0 452.576 4.994 40 0 JJABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000030870775 556385199 /nfs/dbraw/zinc/38/51/99/556385199.db2.gz SKKPLTNLIWQPDR-UHFFFAOYSA-N 0 0 464.587 4.876 40 0 JJABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000030871803 556385418 /nfs/dbraw/zinc/38/54/18/556385418.db2.gz PWKYRHOFJJVCNA-LJQANCHMSA-N 0 0 452.576 4.912 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000019818441 556385835 /nfs/dbraw/zinc/38/58/35/556385835.db2.gz PTIIAQKRFVAJBV-JWQCQUIFSA-N 0 0 493.604 4.613 40 0 JJABRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNS(=O)(=O)c3cccs3)C=C2C)cc1 ZINC000030880582 556386462 /nfs/dbraw/zinc/38/64/62/556386462.db2.gz VCHGJXCRRBVVMQ-FUDKSRODSA-N 0 0 490.691 4.596 40 0 biogenic,in-vitro JJABRN CC1=C[C@@H](CNC(=O)c2cccc(F)c2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 ZINC000030881917 556386799 /nfs/dbraw/zinc/38/67/99/556386799.db2.gz FOJUOBMWZQBUCJ-LSQMVHIFSA-N 0 0 451.586 4.854 40 0 biogenic,in-vitro JJABRN C[C@H](C(=O)NC1CCCCC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000030883722 556386960 /nfs/dbraw/zinc/38/69/60/556386960.db2.gz JWSCBQFSVMUZSZ-WJLKHZGZSA-N 0 0 460.703 4.960 40 0 biogenic,in-vitro JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)ccc21 ZINC000030945355 556389211 /nfs/dbraw/zinc/38/92/11/556389211.db2.gz CQRFEKNSUSQHIF-HSZRJFAPSA-N 0 0 483.977 4.634 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 ZINC000019820457 556389713 /nfs/dbraw/zinc/38/97/13/556389713.db2.gz LSHHHDDZPJXADU-LOSJGSFVSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000019820589 556390324 /nfs/dbraw/zinc/39/03/24/556390324.db2.gz RHJBWONZJHKWGP-DQEYMECFSA-N 0 0 453.542 4.703 40 0 JJABRN CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000019820684 556390461 /nfs/dbraw/zinc/39/04/61/556390461.db2.gz JLBHZDYBELTTEQ-RPWUZVMVSA-N 0 0 457.505 4.533 40 0 JJABRN CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1C ZINC000019820670 556390493 /nfs/dbraw/zinc/39/04/93/556390493.db2.gz VOPHSENCQDJOSF-DQEYMECFSA-N 0 0 453.542 4.703 40 0 JJABRN CCCC[C@@H](CC)COC(=O)[C@@H](C)OC(=O)/C=C\C(=O)O[C@@H](C)C(=O)OC[C@@H](CC)CCCC ZINC000031778020 556403889 /nfs/dbraw/zinc/40/38/89/556403889.db2.gz ZWIJZPXEJBHDLU-CTQBBNRBSA-N 0 0 484.630 4.925 40 0 JJABRN O=C(c1ccccc1Br)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000032101270 556416758 /nfs/dbraw/zinc/41/67/58/556416758.db2.gz DPFHZKAXWLLHDT-INIZCTEOSA-N 0 0 492.089 4.713 40 0 JJABRN O=C(c1ccc(Br)cc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000032101393 556417042 /nfs/dbraw/zinc/41/70/42/556417042.db2.gz QJWVPGPLSROKMB-MRXNPFEDSA-N 0 0 492.089 4.713 40 0 JJABRN O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000032125235 556429122 /nfs/dbraw/zinc/42/91/22/556429122.db2.gz JXVOQIVZTOXGIE-UHFFFAOYSA-N 0 0 494.620 4.929 40 0 JJABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000032125177 556429136 /nfs/dbraw/zinc/42/91/36/556429136.db2.gz QHOTUICVUZCOSL-UHFFFAOYSA-N 0 0 463.965 4.628 40 0 JJABRN CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)oc2c1 ZINC000032126832 556431207 /nfs/dbraw/zinc/43/12/07/556431207.db2.gz JZVCUSSALGTYRN-UHFFFAOYSA-N 0 0 454.895 4.826 40 0 JJABRN O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)c(Cl)c1 ZINC000032127943 556432822 /nfs/dbraw/zinc/43/28/22/556432822.db2.gz HLDAQZIAZULLQC-UHFFFAOYSA-N 0 0 467.403 4.567 40 0 JJABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508705 556443446 /nfs/dbraw/zinc/44/34/46/556443446.db2.gz YQWNKSAOGPCCHD-ZWKOTPCHSA-N 0 0 475.850 4.917 40 0 JJABRN Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)s2)cs1 ZINC000032603683 556449998 /nfs/dbraw/zinc/44/99/98/556449998.db2.gz DUMFFJLDHWBJIB-UHFFFAOYSA-N 0 0 454.042 4.653 40 0 JJABRN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000032604415 556450433 /nfs/dbraw/zinc/45/04/33/556450433.db2.gz RGWIEJCZQDPXLQ-AWEZNQCLSA-N 0 0 461.385 4.931 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1ccc(Br)cc1F ZINC000032639669 556458850 /nfs/dbraw/zinc/45/88/50/556458850.db2.gz ZDWHDRCMRJHDPQ-WBVHZDCISA-N 0 0 489.819 4.517 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1Cl)N2c1ccc(Br)cc1F ZINC000032640452 556462853 /nfs/dbraw/zinc/46/28/53/556462853.db2.gz BXDIEKHHQKIKMZ-WBVHZDCISA-N 0 0 489.819 4.517 40 0 JJABRN Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640794 556463719 /nfs/dbraw/zinc/46/37/19/556463719.db2.gz MWAXXYKHKZAPND-OALUTQOASA-N 0 0 455.432 4.885 40 0 JJABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccc(Cl)c(Cl)c1)N2c1ccc(Cl)cc1 ZINC000032640804 556463748 /nfs/dbraw/zinc/46/37/48/556463748.db2.gz UOVXSYIWJICRRT-SJORKVTESA-N 0 0 461.823 4.922 40 0 JJABRN O=S1(=O)C[C@H]2N=C(SCc3ccccc3F)N(c3cc(C(F)(F)F)ccc3Cl)[C@@H]2C1 ZINC000032641135 556465191 /nfs/dbraw/zinc/46/51/91/556465191.db2.gz UVPLGMLRUGNQET-NVXWUHKLSA-N 0 0 478.920 4.773 40 0 JJABRN Cc1cc(C)cc(-n2c3nnc(SCC(=O)N[C@@H](C)c4ccccc4C)n3c3ccccc3c2=O)c1 ZINC000032957388 556570355 /nfs/dbraw/zinc/57/03/55/556570355.db2.gz MBCIIEOGBJNBGL-FQEVSTJZSA-N 0 0 497.624 4.928 40 0 JJABRN CCCCCC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890161 560050136 /nfs/dbraw/zinc/05/01/36/560050136.db2.gz WKHRVXVTJMSJRZ-BWKNWUBXSA-N 0 0 452.643 4.651 40 0 biogenic,in-vitro JJABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000008586082 562940821 /nfs/dbraw/zinc/94/08/21/562940821.db2.gz OMJMXIRCUWUCCU-SANMLTNESA-N 0 0 495.587 4.718 40 0 JJABRN COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccn2C)cc1OC ZINC000008676946 562950574 /nfs/dbraw/zinc/95/05/74/562950574.db2.gz YKICZRQWDFLAPB-AREMUKBSSA-N 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569602009 /nfs/dbraw/zinc/60/20/09/569602009.db2.gz LVDSYUCPEJSAIB-KFWWJZLASA-N 0 0 464.337 4.852 40 0 JJABRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)c(OC)c1 ZINC000059294146 569602420 /nfs/dbraw/zinc/60/24/20/569602420.db2.gz GPFFMPQNJHNGNC-UHFFFAOYSA-N 0 0 490.537 4.613 40 0 JJABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000059294231 569602470 /nfs/dbraw/zinc/60/24/70/569602470.db2.gz OGWLMNOUMUIECM-DHZHZOJOSA-N 0 0 467.978 4.963 40 0 JJABRN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c(OC)c1 ZINC000059294446 569602495 /nfs/dbraw/zinc/60/24/95/569602495.db2.gz MQEWLXWNEOEWAU-UHFFFAOYSA-N 0 0 479.964 4.572 40 0 JJABRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2nsnc2c1 ZINC000059294612 569602597 /nfs/dbraw/zinc/60/25/97/569602597.db2.gz GOMTVIWUPFPERL-UHFFFAOYSA-N 0 0 477.977 4.559 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000059444231 569603968 /nfs/dbraw/zinc/60/39/68/569603968.db2.gz 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CC(C)CNC(=O)c1ccc2c(c1)n1c(SCc3cccc(F)c3)nnc1n(CC(C)C)c2=O ZINC000032986257 569608815 /nfs/dbraw/zinc/60/88/15/569608815.db2.gz QFCXOIXCPNEAQF-UHFFFAOYSA-N 0 0 481.597 4.517 40 0 JJABRN O=C(COC1=NC=N[C@@H]2SC=C(c3ccc(Br)cc3)[C@@H]12)N1CCc2ccccc2C1 ZINC000062733043 569614668 /nfs/dbraw/zinc/61/46/68/569614668.db2.gz VQQWLLRCJKECAV-JTHBVZDNSA-N 0 0 482.403 4.521 40 0 JJABRN COc1c(I)cc(C(=O)Nc2cccc(O)c2)cc1OCc1ccccc1 ZINC000033489527 569626977 /nfs/dbraw/zinc/62/69/77/569626977.db2.gz WIVXDCNIPMTZSE-UHFFFAOYSA-N 0 0 475.282 4.837 40 0 JJABRN Cc1cc(C)cc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1 ZINC000033364477 569625092 /nfs/dbraw/zinc/62/50/92/569625092.db2.gz FJDPQDPGLWVABG-OAQYLSRUSA-N 0 0 486.041 4.943 40 0 JJABRN CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000064744203 569625224 /nfs/dbraw/zinc/62/52/24/569625224.db2.gz YGBMCLDVRUGXOV-UHFFFAOYSA-N 0 0 476.942 4.910 40 0 in-vitro JJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000033401939 569625904 /nfs/dbraw/zinc/62/59/04/569625904.db2.gz SYNUQBUZWRICBJ-OAQYLSRUSA-N 0 0 451.504 4.942 40 0 JJABRN CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OCC ZINC000033524182 569627274 /nfs/dbraw/zinc/62/72/74/569627274.db2.gz JRUNCPCSXFPDQB-JAIQZWGSSA-N 0 0 476.501 4.827 40 0 JJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C2=O)o1 ZINC000033532889 569627464 /nfs/dbraw/zinc/62/74/64/569627464.db2.gz ABLHVAOBAJXKIV-NHDPSOOVSA-N 0 0 466.515 4.719 40 0 JJABRN Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000033534895 569627541 /nfs/dbraw/zinc/62/75/41/569627541.db2.gz BMZVSRKUKUYWLC-HYARGMPZSA-N 0 0 451.592 4.876 40 0 JJABRN CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000033562203 569627900 /nfs/dbraw/zinc/62/79/00/569627900.db2.gz SCFVFOLRZSTVRO-UHFFFAOYSA-N 0 0 468.575 4.856 40 0 JJABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl ZINC000033590315 569628390 /nfs/dbraw/zinc/62/83/90/569628390.db2.gz IVPPIUSCNIGUID-UHFFFAOYSA-N 0 0 487.405 4.631 40 0 JJABRN CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000033608309 569628773 /nfs/dbraw/zinc/62/87/73/569628773.db2.gz SMXIMPCEEROJNB-CYBMUJFWSA-N 0 0 478.405 4.827 40 0 JJABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000033624985 569629131 /nfs/dbraw/zinc/62/91/31/569629131.db2.gz NJLNKEKYTIHZRV-UHFFFAOYSA-N 0 0 493.412 4.874 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCc1ccccc1 ZINC000033642973 569629456 /nfs/dbraw/zinc/62/94/56/569629456.db2.gz SVJFGRQZPCDHSE-UHFFFAOYSA-N 0 0 479.385 4.532 40 0 JJABRN CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)NCCc1ccccc1 ZINC000033666702 569630342 /nfs/dbraw/zinc/63/03/42/569630342.db2.gz HLFDQVLHRONTNA-UHFFFAOYSA-N 0 0 460.603 4.790 40 0 JJABRN CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000033702336 569631012 /nfs/dbraw/zinc/63/10/12/569631012.db2.gz HWTISHABDYBYFO-QFIPXVFZSA-N 0 0 466.607 4.717 40 0 JJABRN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000033714218 569631482 /nfs/dbraw/zinc/63/14/82/569631482.db2.gz UWDIEVQBOPKKGP-SFHVURJKSA-N 0 0 473.392 4.642 40 0 JJABRN CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)c1 ZINC000033733996 569632663 /nfs/dbraw/zinc/63/26/63/569632663.db2.gz KUBWVVGEKVZLSG-UHFFFAOYSA-N 0 0 456.589 4.844 40 0 JJABRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)o1 ZINC000033741126 569633108 /nfs/dbraw/zinc/63/31/08/569633108.db2.gz CPLHHURIKLRYDF-KEBDBYFISA-N 0 0 465.437 4.771 40 0 JJABRN C#CCOc1c(Br)cc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC ZINC000033757078 569633642 /nfs/dbraw/zinc/63/36/42/569633642.db2.gz NJHIFVYASZJSGX-SFHVURJKSA-N 0 0 477.380 4.628 40 0 JJABRN CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000033752297 569633705 /nfs/dbraw/zinc/63/37/05/569633705.db2.gz JQVQKVQBNQVOMB-IBGZPJMESA-N 0 0 492.432 4.980 40 0 JJABRN Cc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)c1C ZINC000033784766 569634903 /nfs/dbraw/zinc/63/49/03/569634903.db2.gz JKHPKGVXVPRVLR-OAQYLSRUSA-N 0 0 486.041 4.943 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)C2CCCCC2)cc1Cl ZINC000033789139 569635145 /nfs/dbraw/zinc/63/51/45/569635145.db2.gz RTXFRFSCSPEMLA-UHFFFAOYSA-N 0 0 465.015 4.928 40 0 JJABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000033793856 569635302 /nfs/dbraw/zinc/63/53/02/569635302.db2.gz UGVYMEAZYIZMGX-UHFFFAOYSA-N 0 0 473.042 4.649 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)C2CCCCC2)cc1Cl ZINC000033793984 569635414 /nfs/dbraw/zinc/63/54/14/569635414.db2.gz KAHCQIGDSZQUEM-UHFFFAOYSA-N 0 0 472.941 4.589 40 0 JJABRN CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937050 569638292 /nfs/dbraw/zinc/63/82/92/569638292.db2.gz VWUXWAUERQMNDW-YKSBVNFPSA-N 0 0 492.649 4.525 40 0 JJABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937366 569639002 /nfs/dbraw/zinc/63/90/02/569639002.db2.gz CLJVDSHSPCHWIN-QPPBQGQZSA-N 0 0 492.649 4.607 40 0 JJABRN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000034705192 569649502 /nfs/dbraw/zinc/64/95/02/569649502.db2.gz ITEBDYKQOCJUEI-IBGZPJMESA-N 0 0 472.014 4.717 40 0 JJABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000034718316 569652171 /nfs/dbraw/zinc/65/21/71/569652171.db2.gz JUACAMUNLDQSPX-UHFFFAOYSA-N 0 0 480.630 4.537 40 0 JJABRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1 ZINC000034764429 569658228 /nfs/dbraw/zinc/65/82/28/569658228.db2.gz NMOVRJACTMUSKE-UHFFFAOYSA-N 0 0 455.536 4.563 40 0 JJABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1)c1ccccc1 ZINC000034857027 569667464 /nfs/dbraw/zinc/66/74/64/569667464.db2.gz RQFXZCHPSPMPCT-AWEZNQCLSA-N 0 0 480.920 4.675 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1)c1ccccc1 ZINC000034857028 569667481 /nfs/dbraw/zinc/66/74/81/569667481.db2.gz RQFXZCHPSPMPCT-CQSZACIVSA-N 0 0 480.920 4.675 40 0 JJABRN CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)cc1 ZINC000034887625 569668941 /nfs/dbraw/zinc/66/89/41/569668941.db2.gz GWIVPVWNXXBNOG-KRWDZBQOSA-N 0 0 488.993 4.796 40 0 JJABRN CCOc1cc(C(=S)N2CCOCC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000034888049 569669040 /nfs/dbraw/zinc/66/90/40/569669040.db2.gz OMYXVOUQZVJINK-UHFFFAOYSA-N 0 0 450.398 4.743 40 0 JJABRN CCCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000035077794 569674377 /nfs/dbraw/zinc/67/43/77/569674377.db2.gz ACMHSMBNBVYJNJ-UHFFFAOYSA-N 0 0 473.422 4.812 40 0 JJABRN COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 ZINC000035131627 569675565 /nfs/dbraw/zinc/67/55/65/569675565.db2.gz BVXXESLGGAUHFD-LBPRGKRZSA-N 0 0 479.389 4.597 40 0 JJABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000035147691 569676214 /nfs/dbraw/zinc/67/62/14/569676214.db2.gz HIKODEVYMYTWPZ-UHFFFAOYSA-N 0 0 475.364 4.576 40 0 JJABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 ZINC000035166919 569677149 /nfs/dbraw/zinc/67/71/49/569677149.db2.gz IRWZHUNNHLXKEL-IBGZPJMESA-N 0 0 463.578 4.528 40 0 JJABRN O=C(COc1ccc(Cl)cc1Cl)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 ZINC000035168664 569677234 /nfs/dbraw/zinc/67/72/34/569677234.db2.gz QFQGHJPGSWKVDW-OAHLLOKOSA-N 0 0 491.607 4.659 40 0 JJABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000035242400 569678856 /nfs/dbraw/zinc/67/88/56/569678856.db2.gz YERYBQKFKLYXSC-VQIMKDEXSA-N 0 0 459.886 4.527 40 0 JJABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(Cl)c1 ZINC000035263467 569678953 /nfs/dbraw/zinc/67/89/53/569678953.db2.gz PATNWNMYFUYUTJ-UHFFFAOYSA-N 0 0 470.337 4.921 40 0 JJABRN CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000035288650 569679550 /nfs/dbraw/zinc/67/95/50/569679550.db2.gz BEHJXUVPLYJCDI-UHFFFAOYSA-N 0 0 492.630 4.967 40 0 JJABRN COc1cc2c(cc1OC)[C@@H](c1cc3cccc(C)c3[nH]c1=O)N(C(=O)c1cccs1)CC2 ZINC000035313479 569680281 /nfs/dbraw/zinc/68/02/81/569680281.db2.gz PAPPZQIPNUTXCQ-DEOSSOPVSA-N 0 0 460.555 4.703 40 0 JJABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc(C)c(C)cc3[nH]c1=O)N(C(=O)c1ccco1)CC2 ZINC000035313477 569680283 /nfs/dbraw/zinc/68/02/83/569680283.db2.gz QTSYZFHVGKGMLU-VWLOTQADSA-N 0 0 458.514 4.543 40 0 JJABRN CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 ZINC000035377628 569685254 /nfs/dbraw/zinc/68/52/54/569685254.db2.gz KWHHEVAFENKHGU-UHFFFAOYSA-N 0 0 468.575 4.638 40 0 JJABRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5[C@H](C)[C@@]6(CC[C@@H](C)CO6)O[C@H]5C[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000070691703 569695805 /nfs/dbraw/zinc/69/58/05/569695805.db2.gz QQQWWULPCZSUFF-GTSQNEBSSA-N 0 0 488.665 4.659 40 0 biogenic JJABRN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000072216499 569700541 /nfs/dbraw/zinc/70/05/41/569700541.db2.gz IWXCXGWIMSROAD-JOCHJYFZSA-N 0 0 450.583 4.506 40 0 JJABRN Cc1cc(C)n(-c2nc3c(ccc(Cl)c3N3CCN(C(=O)c4ccccc4)CC3)s2)n1 ZINC000072230145 569700832 /nfs/dbraw/zinc/70/08/32/569700832.db2.gz JALRYMBQWVTDGZ-UHFFFAOYSA-N 0 0 451.983 4.715 40 0 JJABRN CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000072238879 569701060 /nfs/dbraw/zinc/70/10/60/569701060.db2.gz FLPIQPMYMIFALV-SFHVURJKSA-N 0 0 463.317 4.645 40 0 JJABRN Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(NC4CCCCC4)n3)CC2)cc1 ZINC000095079722 569721762 /nfs/dbraw/zinc/72/17/62/569721762.db2.gz KSYCIFVDTYWRCJ-NRFANRHFSA-N 0 0 493.677 4.750 40 0 JJABRN COc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc(Br)c4)[C@@H]3c3ccc(C)cc3)C2=O)c1 ZINC000100222322 569755766 /nfs/dbraw/zinc/75/57/66/569755766.db2.gz VSXXGGUJNSHFKH-ZLNRFVROSA-N 0 0 493.357 4.817 40 0 JJABRN COc1ccc(OCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000100282997 569756709 /nfs/dbraw/zinc/75/67/09/569756709.db2.gz VADKWCVQTAEISA-XUJYPJAKSA-N 0 0 453.538 4.813 40 0 JJABRN COc1ccc(N([C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000036092718 569756754 /nfs/dbraw/zinc/75/67/54/569756754.db2.gz WXCQYFCPMHXFCE-HOYKHHGWSA-N 0 0 487.021 4.717 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000036127989 569756889 /nfs/dbraw/zinc/75/68/89/569756889.db2.gz QDSUSVKMWKNOEE-RTBURBONSA-N 0 0 479.042 4.552 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nc(C)c(C)s4)n21)CCCC3 ZINC000100386164 569758419 /nfs/dbraw/zinc/75/84/19/569758419.db2.gz CPSWPQVJFXCNLZ-UHFFFAOYSA-N 0 0 458.638 4.584 40 0 JJABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 ZINC000100386436 569758430 /nfs/dbraw/zinc/75/84/30/569758430.db2.gz IXNNSFQORHPQBR-UHFFFAOYSA-N 0 0 468.608 4.768 40 0 JJABRN CC(=O)Nc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 ZINC000100386552 569758464 /nfs/dbraw/zinc/75/84/64/569758464.db2.gz XGBLWJKGRDAJJA-UHFFFAOYSA-N 0 0 468.608 4.768 40 0 JJABRN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(OC)cc4OC)n21)CCCC3 ZINC000100386100 569758483 /nfs/dbraw/zinc/75/84/83/569758483.db2.gz KRQSYBOEABFSCN-UHFFFAOYSA-N 0 0 483.619 4.528 40 0 JJABRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(-c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000100556093 569764504 /nfs/dbraw/zinc/76/45/04/569764504.db2.gz UGQMGCQEIMOUGG-WAPCQROESA-N 0 0 456.542 4.713 40 0 JJABRN CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000100577952 569765161 /nfs/dbraw/zinc/76/51/61/569765161.db2.gz NCVJUURNGMHNGL-VXNXHJTFSA-N 0 0 460.555 4.858 40 0 JJABRN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](c3ccccc3)N(c3ccc(Cl)cc3)O[C@@H]2C1=O ZINC000100766558 569769223 /nfs/dbraw/zinc/76/92/23/569769223.db2.gz QRLPNUQHXAAXTP-HKBOAZHASA-N 0 0 496.972 4.856 40 0 JJABRN CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100799293 569770497 /nfs/dbraw/zinc/77/04/97/569770497.db2.gz PKKVEPJHYSGKOU-HBMCJLEFSA-N 0 0 482.945 4.629 40 0 JJABRN O=C(Nc1nccs1)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000100879527 569774075 /nfs/dbraw/zinc/77/40/75/569774075.db2.gz CHMFUIHDYQRGMY-INIZCTEOSA-N 0 0 488.388 4.582 40 0 JJABRN Cc1c(-c2ccn(-c3ccc(NC(=O)c4ccn(COc5cc(C)ccc5C)n4)cc3)n2)cnn1C ZINC000036614305 569778187 /nfs/dbraw/zinc/77/81/87/569778187.db2.gz QOMQLDGBWKEBFI-UHFFFAOYSA-N 0 0 481.560 4.683 40 0 JJABRN CCn1c(-c2ccc(OC(=O)c3ccccc3)cc2)cs/c1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000100972679 569778195 /nfs/dbraw/zinc/77/81/95/569778195.db2.gz QJGVEMSXJGERDL-SHHOIMCASA-N 0 0 482.558 4.884 40 0 JJABRN CCn1c(-c2ccc(Br)cc2)cs/c1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100975537 569778392 /nfs/dbraw/zinc/77/83/92/569778392.db2.gz ULEMERJVLYJYEA-LVZFUZTISA-N 0 0 457.802 4.942 40 0 JJABRN CCCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)CC1 ZINC000036628578 569779155 /nfs/dbraw/zinc/77/91/55/569779155.db2.gz FGBHUQJPKWDZOL-UHFFFAOYSA-N 0 0 455.562 4.545 40 0 JJABRN CCCC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(OC)c2)CC1 ZINC000036628528 569779166 /nfs/dbraw/zinc/77/91/66/569779166.db2.gz KWNMVZGNXPZIOS-UHFFFAOYSA-N 0 0 455.562 4.545 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000101164558 569785312 /nfs/dbraw/zinc/78/53/12/569785312.db2.gz FAOXISOQKXBQRE-KRWDZBQOSA-N 0 0 451.596 4.643 40 0 JJABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000101164323 569785341 /nfs/dbraw/zinc/78/53/41/569785341.db2.gz ABQJDXPRNRCUNF-QGZVFWFLSA-N 0 0 459.575 4.673 40 0 JJABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101180027 569786258 /nfs/dbraw/zinc/78/62/58/569786258.db2.gz ROGZTUDBUVLFII-DSITVLBTSA-N 0 0 476.504 4.674 40 0 JJABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000101180419 569786334 /nfs/dbraw/zinc/78/63/34/569786334.db2.gz AGYOFJYQOBMALH-FKBYEOEOSA-N 0 0 481.321 4.948 40 0 JJABRN CCCOc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101193505 569786753 /nfs/dbraw/zinc/78/67/53/569786753.db2.gz IKTWOCNOGKXTQG-ZNZIZOMTSA-N 0 0 472.541 4.531 40 0 JJABRN COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000038261843 569801177 /nfs/dbraw/zinc/80/11/77/569801177.db2.gz BQTCBDDUIIIMIS-HNNXBMFYSA-N 0 0 498.164 4.519 40 0 JJABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000038754394 569806775 /nfs/dbraw/zinc/80/67/75/569806775.db2.gz PZXJKEGQAQOEMS-UXHICEINSA-N 0 0 452.576 4.819 40 0 JJABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000038755333 569807025 /nfs/dbraw/zinc/80/70/25/569807025.db2.gz KDXUUDYODFJVQJ-UHFFFAOYSA-N 0 0 498.004 4.824 40 0 JJABRN Cc1ccc([C@H](NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038755554 569807178 /nfs/dbraw/zinc/80/71/78/569807178.db2.gz RPDGXRRJSMPVIF-XMMPIXPASA-N 0 0 456.995 4.629 40 0 JJABRN CCOc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000038756489 569807262 /nfs/dbraw/zinc/80/72/62/569807262.db2.gz BFXGGGALUOPRRR-UHFFFAOYSA-N 0 0 498.670 4.970 40 0 JJABRN Cc1cccc(N2CCN(C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3Cl)CC2)c1C ZINC000038756064 569807297 /nfs/dbraw/zinc/80/72/97/569807297.db2.gz SMQGYNXUBRZJBL-UHFFFAOYSA-N 0 0 484.021 4.720 40 0 JJABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000038772325 569807701 /nfs/dbraw/zinc/80/77/01/569807701.db2.gz QNFFOFWFDYWHOR-CQSZACIVSA-N 0 0 473.397 4.552 40 0 JJABRN Cc1ccc([C@H](NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000038783335 569807890 /nfs/dbraw/zinc/80/78/90/569807890.db2.gz YQWVSIUQRRCVHB-PXDATVDWSA-N 0 0 450.604 4.672 40 0 JJABRN Cc1nn2c(ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829650 569808482 /nfs/dbraw/zinc/80/84/82/569808482.db2.gz JXGPXULCBSTBFA-UHFFFAOYSA-N 0 0 459.981 4.625 40 0 JJABRN CN1C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)NC1=S ZINC000039556704 569810669 /nfs/dbraw/zinc/81/06/69/569810669.db2.gz STCAPNYRFQZBKF-YVLHZVERSA-N 0 0 490.810 4.824 40 0 JJABRN Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)NC2=S)cc1C ZINC000039556757 569810685 /nfs/dbraw/zinc/81/06/85/569810685.db2.gz RUZMEJHPTAPDFF-ZOLHPDHPSA-N 0 0 486.641 4.921 40 0 JJABRN 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ZINC000222560101 569885887 /nfs/dbraw/zinc/88/58/87/569885887.db2.gz LSHNXUZXHDMQLF-UHFFFAOYSA-N 0 0 499.430 4.592 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000222565255 569885897 /nfs/dbraw/zinc/88/58/97/569885897.db2.gz VTWNPFWKQWERPF-UHFFFAOYSA-N 0 0 480.630 4.640 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000222574152 569886065 /nfs/dbraw/zinc/88/60/65/569886065.db2.gz AFLOFFZPXJJUBI-UHFFFAOYSA-N 0 0 482.945 4.617 40 0 JJABRN COC(=O)c1cn(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000222577759 569886174 /nfs/dbraw/zinc/88/61/74/569886174.db2.gz FNUZIMLQANNIEI-UHFFFAOYSA-N 0 0 490.581 4.889 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222580329 569886205 /nfs/dbraw/zinc/88/62/05/569886205.db2.gz RXESKMWDMJMYQS-QFIPXVFZSA-N 0 0 477.992 4.785 40 0 JJABRN COc1ccc([C@@H](CC(C)C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000222584419 569886322 /nfs/dbraw/zinc/88/63/22/569886322.db2.gz LKJZIKMYNRDVLA-HSZRJFAPSA-N 0 0 460.640 4.762 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000222588012 569886420 /nfs/dbraw/zinc/88/64/20/569886420.db2.gz AGEXGVFBFYRKCZ-QHCPKHFHSA-N 0 0 461.002 4.840 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222591126 569886488 /nfs/dbraw/zinc/88/64/88/569886488.db2.gz KETDXTYALBGOLA-HSZRJFAPSA-N 0 0 456.920 4.547 40 0 JJABRN COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c2ccccc12 ZINC000222618828 569887113 /nfs/dbraw/zinc/88/71/13/569887113.db2.gz XACQNVVDDUADKH-UHFFFAOYSA-N 0 0 482.945 4.879 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222643018 569887642 /nfs/dbraw/zinc/88/76/42/569887642.db2.gz CJUOXGQGNMFYDE-VWLOTQADSA-N 0 0 493.445 4.995 40 0 JJABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656581 569887824 /nfs/dbraw/zinc/88/78/24/569887824.db2.gz IKDLQRAZYYTDFJ-CLYVBNDRSA-N 0 0 474.582 4.723 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 ZINC000222656549 569887838 /nfs/dbraw/zinc/88/78/38/569887838.db2.gz VKUXXKYTPBCQCW-OAQYLSRUSA-N 0 0 467.393 4.713 40 0 JJABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000222655296 569887853 /nfs/dbraw/zinc/88/78/53/569887853.db2.gz MUUVPVWLHRTSOQ-NRFANRHFSA-N 0 0 456.608 4.592 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222677519 569888249 /nfs/dbraw/zinc/88/82/49/569888249.db2.gz QRIGQUSWCJLZBB-RUZDIDTESA-N 0 0 493.445 4.995 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(C)cc1 ZINC000222683042 569888448 /nfs/dbraw/zinc/88/84/48/569888448.db2.gz HYNPIVHZMPYAIO-DEOSSOPVSA-N 0 0 479.418 4.686 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000222695407 569888798 /nfs/dbraw/zinc/88/87/98/569888798.db2.gz ZKUZXKGFTJNFTL-OAQYLSRUSA-N 0 0 451.394 4.877 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1 ZINC000222689984 569888704 /nfs/dbraw/zinc/88/87/04/569888704.db2.gz VLSKAOQSWUQZTI-XMMPIXPASA-N 0 0 495.417 4.522 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1 ZINC000222693486 569888725 /nfs/dbraw/zinc/88/87/25/569888725.db2.gz TVJGULJLZUAGEN-HSZRJFAPSA-N 0 0 471.384 4.758 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1cccc2ccccc21 ZINC000222700703 569888956 /nfs/dbraw/zinc/88/89/56/569888956.db2.gz HTLFBYUZQNLFJK-UHFFFAOYSA-N 0 0 480.973 4.989 40 0 JJABRN CN(c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222716376 569889378 /nfs/dbraw/zinc/88/93/78/569889378.db2.gz CODHRLILLNDTJA-UHFFFAOYSA-N 0 0 499.032 4.643 40 0 JJABRN Cc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222716712 569889446 /nfs/dbraw/zinc/88/94/46/569889446.db2.gz GETFMGDBEJJTRB-UHFFFAOYSA-N 0 0 490.676 4.737 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 ZINC000222741894 569890105 /nfs/dbraw/zinc/89/01/05/569890105.db2.gz RSSACWXRQGFSRH-QHCPKHFHSA-N 0 0 471.384 4.758 40 0 JJABRN Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222749623 569890215 /nfs/dbraw/zinc/89/02/15/569890215.db2.gz DOSZNGCOLFFDLQ-HHHXNRCGSA-N 0 0 476.592 4.925 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1F ZINC000222752573 569890318 /nfs/dbraw/zinc/89/03/18/569890318.db2.gz MVEATQKCFSXCRQ-SANMLTNESA-N 0 0 464.556 4.920 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000222753258 569890319 /nfs/dbraw/zinc/89/03/19/569890319.db2.gz UPWKWMWPCDSIKO-HHHXNRCGSA-N 0 0 492.591 4.625 40 0 JJABRN Cc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222756001 569890393 /nfs/dbraw/zinc/89/03/93/569890393.db2.gz WKGQGRIQXJIHEC-UHFFFAOYSA-N 0 0 458.583 4.968 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)NCc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222758066 569890437 /nfs/dbraw/zinc/89/04/37/569890437.db2.gz UKWXTZFBKYRTFO-UHFFFAOYSA-N 0 0 488.609 4.977 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)c(C)c2)cc1 ZINC000222762377 569890491 /nfs/dbraw/zinc/89/04/91/569890491.db2.gz GJXVWHDWNVNTPC-UHFFFAOYSA-N 0 0 474.582 4.953 40 0 JJABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222765657 569890548 /nfs/dbraw/zinc/89/05/48/569890548.db2.gz BFRYHNGHSMPFNR-HNNXBMFYSA-N 0 0 451.394 4.833 40 0 JJABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222769792 569890599 /nfs/dbraw/zinc/89/05/99/569890599.db2.gz DTPLJHWIRFSPJZ-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222769853 569890600 /nfs/dbraw/zinc/89/06/00/569890600.db2.gz DTPLJHWIRFSPJZ-IBGZPJMESA-N 0 0 450.966 4.625 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000222770237 569890614 /nfs/dbraw/zinc/89/06/14/569890614.db2.gz FCRJDVLWJWNZJE-HXUWFJFHSA-N 0 0 495.019 4.676 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222770152 569890617 /nfs/dbraw/zinc/89/06/17/569890617.db2.gz CGYCCEVIFSWQFV-FQEVSTJZSA-N 0 0 464.993 4.667 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000222769628 569890623 /nfs/dbraw/zinc/89/06/23/569890623.db2.gz GBKYGPYUSMBYBC-UHFFFAOYSA-N 0 0 492.572 4.889 40 0 JJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222789934 569891148 /nfs/dbraw/zinc/89/11/48/569891148.db2.gz LJXVTNWFLYSTGJ-SANMLTNESA-N 0 0 464.556 4.920 40 0 JJABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N(C)c1ccc(F)cc1 ZINC000222802067 569891429 /nfs/dbraw/zinc/89/14/29/569891429.db2.gz NYPUNCVTCKAJMT-UHFFFAOYSA-N 0 0 462.930 4.630 40 0 JJABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222804412 569891493 /nfs/dbraw/zinc/89/14/93/569891493.db2.gz KYQCHPOMEKRGCP-GOSISDBHSA-N 0 0 481.420 4.721 40 0 JJABRN C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl ZINC000222803857 569891523 /nfs/dbraw/zinc/89/15/23/569891523.db2.gz IJLROWNHBXUAQD-QGZVFWFLSA-N 0 0 472.372 4.501 40 0 JJABRN C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000222806977 569891544 /nfs/dbraw/zinc/89/15/44/569891544.db2.gz SLTYDARDBUZCIY-CQSZACIVSA-N 0 0 484.927 4.983 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 ZINC000222810580 569891703 /nfs/dbraw/zinc/89/17/03/569891703.db2.gz IUTVZJSHYIEHQY-OAHLLOKOSA-N 0 0 481.818 4.813 40 0 JJABRN CCCC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222829624 569892087 /nfs/dbraw/zinc/89/20/87/569892087.db2.gz XJPFKQFYNVJSGR-JOCHJYFZSA-N 0 0 459.428 4.961 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222836694 569892282 /nfs/dbraw/zinc/89/22/82/569892282.db2.gz UZAUTQVLRMNJDE-XMMPIXPASA-N 0 0 454.611 4.704 40 0 JJABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000222839448 569892346 /nfs/dbraw/zinc/89/23/46/569892346.db2.gz XFMNTGMJVGUCHA-MHZLTWQESA-N 0 0 490.669 4.931 40 0 JJABRN CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000222840069 569892376 /nfs/dbraw/zinc/89/23/76/569892376.db2.gz RIZDTJVALXZLDK-UHFFFAOYSA-N 0 0 470.900 4.594 40 0 JJABRN CCOc1ccc(N(CC(=O)NCc2cccc3ccccc32)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222847899 569892603 /nfs/dbraw/zinc/89/26/03/569892603.db2.gz MFMYSDYPPLWEKI-UHFFFAOYSA-N 0 0 492.572 4.889 40 0 JJABRN CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000222868102 569893153 /nfs/dbraw/zinc/89/31/53/569893153.db2.gz IFUUQZIGBAYYMC-QHCPKHFHSA-N 0 0 496.629 4.783 40 0 JJABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000222873232 569893180 /nfs/dbraw/zinc/89/31/80/569893180.db2.gz ZJLRBYKPFQTWFP-RUZDIDTESA-N 0 0 495.019 4.730 40 0 JJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222886124 569893595 /nfs/dbraw/zinc/89/35/95/569893595.db2.gz GMXNPJZUGRVMLB-XMMPIXPASA-N 0 0 454.611 4.704 40 0 JJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000222892648 569893788 /nfs/dbraw/zinc/89/37/88/569893788.db2.gz AXDKVPZFZVYDFZ-CQSZACIVSA-N 0 0 499.808 4.952 40 0 JJABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000222898316 569893899 /nfs/dbraw/zinc/89/38/99/569893899.db2.gz XAPFRSONGGSMHJ-NRFANRHFSA-N 0 0 451.394 4.877 40 0 JJABRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(=O)(=O)c1ccccc1 ZINC000222909524 569894102 /nfs/dbraw/zinc/89/41/02/569894102.db2.gz KJEHAKMXUXNQIJ-NRFANRHFSA-N 0 0 462.615 4.947 40 0 JJABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222915629 569894312 /nfs/dbraw/zinc/89/43/12/569894312.db2.gz JCYNILUOWHOTAO-NRFANRHFSA-N 0 0 492.641 4.955 40 0 JJABRN C[C@@H](NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222919429 569894366 /nfs/dbraw/zinc/89/43/66/569894366.db2.gz XEBZJUUEVFLXNO-CQSZACIVSA-N 0 0 455.407 4.516 40 0 JJABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222928133 569894612 /nfs/dbraw/zinc/89/46/12/569894612.db2.gz JVEBXLFYVCVBDL-SFHVURJKSA-N 0 0 454.929 4.592 40 0 JJABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C)c1ccc(OC)c(C)c1 ZINC000222943753 569895155 /nfs/dbraw/zinc/89/51/55/569895155.db2.gz QLJUMSXDSKQPJF-QHCPKHFHSA-N 0 0 458.624 4.758 40 0 JJABRN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222945056 569895159 /nfs/dbraw/zinc/89/51/59/569895159.db2.gz CDRQTXGDODQPQA-QGZVFWFLSA-N 0 0 461.027 4.884 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000222954751 569895393 /nfs/dbraw/zinc/89/53/93/569895393.db2.gz XJUMFXYLFCSXSQ-FQEVSTJZSA-N 0 0 480.992 4.770 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222971314 569895799 /nfs/dbraw/zinc/89/57/99/569895799.db2.gz ILOFVJABHUDHIN-MRXNPFEDSA-N 0 0 479.390 4.644 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222981273 569896013 /nfs/dbraw/zinc/89/60/13/569896013.db2.gz YEHIRHZROWPBTQ-LJQANCHMSA-N 0 0 475.427 4.778 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1Br ZINC000222981791 569896030 /nfs/dbraw/zinc/89/60/30/569896030.db2.gz LHVINIUFJJHMGD-SFHVURJKSA-N 0 0 475.427 4.724 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000222981349 569896063 /nfs/dbraw/zinc/89/60/63/569896063.db2.gz YEHIRHZROWPBTQ-IBGZPJMESA-N 0 0 475.427 4.778 40 0 JJABRN COc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222985393 569896174 /nfs/dbraw/zinc/89/61/74/569896174.db2.gz WGPZTLDYTDKFRZ-HNNXBMFYSA-N 0 0 467.393 4.713 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222986553 569896270 /nfs/dbraw/zinc/89/62/70/569896270.db2.gz PCONEGVBELVAOF-KRWDZBQOSA-N 0 0 463.441 4.544 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccccc2Cl)cc1 ZINC000222988836 569896281 /nfs/dbraw/zinc/89/62/81/569896281.db2.gz LDPWAGQZWYHIKX-LJQANCHMSA-N 0 0 450.966 4.625 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCSc1ccc(C)cc1 ZINC000222987803 569896300 /nfs/dbraw/zinc/89/63/00/569896300.db2.gz FHAZGBLASJDLJK-QGZVFWFLSA-N 0 0 463.441 4.793 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222988367 569896322 /nfs/dbraw/zinc/89/63/22/569896322.db2.gz HXWFKQNFDVAORD-OYHNWAKOSA-N 0 0 467.006 4.780 40 0 JJABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222998821 569896506 /nfs/dbraw/zinc/89/65/06/569896506.db2.gz NSIJMUMZRYHKNF-LJQANCHMSA-N 0 0 480.992 4.633 40 0 JJABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000222997223 569896510 /nfs/dbraw/zinc/89/65/10/569896510.db2.gz VJHMNYAHEYSGDB-FQEVSTJZSA-N 0 0 495.019 4.676 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000222998066 569896516 /nfs/dbraw/zinc/89/65/16/569896516.db2.gz BPQFLNBDJKOOGP-UHFFFAOYSA-N 0 0 492.641 4.641 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1Br ZINC000222999928 569896570 /nfs/dbraw/zinc/89/65/70/569896570.db2.gz PCKSFXXMOOEZOW-OAQYLSRUSA-N 0 0 475.427 4.813 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000223000072 569896590 /nfs/dbraw/zinc/89/65/90/569896590.db2.gz ZXIBKQLEOCFXRV-OAQYLSRUSA-N 0 0 489.454 4.987 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223021781 569897016 /nfs/dbraw/zinc/89/70/16/569897016.db2.gz SKMRSYWBYQINLR-KRWDZBQOSA-N 0 0 461.400 4.505 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223032630 569897384 /nfs/dbraw/zinc/89/73/84/569897384.db2.gz PZGPUAPZISJBEF-ZDUSSCGKSA-N 0 0 472.210 4.852 40 0 JJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223035877 569897481 /nfs/dbraw/zinc/89/74/81/569897481.db2.gz ZOALVYGNRHSVLV-OAHLLOKOSA-N 0 0 483.859 4.889 40 0 JJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1Cl ZINC000223035632 569897498 /nfs/dbraw/zinc/89/74/98/569897498.db2.gz IGZVAWIRUNKQEU-HNNXBMFYSA-N 0 0 483.859 4.889 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223053362 569897861 /nfs/dbraw/zinc/89/78/61/569897861.db2.gz ZKQPRYPIJJHESI-ROUUACIJSA-N 0 0 477.992 4.785 40 0 JJABRN COc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223058829 569898037 /nfs/dbraw/zinc/89/80/37/569898037.db2.gz NZWOJIFZQCRGDJ-HNNXBMFYSA-N 0 0 451.394 4.877 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 ZINC000223059639 569898123 /nfs/dbraw/zinc/89/81/23/569898123.db2.gz ZPSBJURRQXLEGV-HHHXNRCGSA-N 0 0 458.602 4.650 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 ZINC000223062955 569898217 /nfs/dbraw/zinc/89/82/17/569898217.db2.gz QNIDLALPDCJFSL-HOTGVXAUSA-N 0 0 481.818 4.813 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223064213 569898247 /nfs/dbraw/zinc/89/82/47/569898247.db2.gz PSZLBGQDTIFQFC-NDEPHWFRSA-N 0 0 463.581 4.581 40 0 JJABRN CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000223063827 569898249 /nfs/dbraw/zinc/89/82/49/569898249.db2.gz JXDZUHGDSSPGAX-XMMPIXPASA-N 0 0 470.635 4.630 40 0 JJABRN CC[C@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223065625 569898290 /nfs/dbraw/zinc/89/82/90/569898290.db2.gz VLCBQAXDWYQFFF-DEOSSOPVSA-N 0 0 456.652 4.896 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223071580 569898522 /nfs/dbraw/zinc/89/85/22/569898522.db2.gz OOBADGHNDRBFHL-QZTJIDSGSA-N 0 0 461.002 4.622 40 0 JJABRN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000223073225 569898617 /nfs/dbraw/zinc/89/86/17/569898617.db2.gz FNFOOBDIQNIYQW-UHFFFAOYSA-N 0 0 454.514 4.509 40 0 JJABRN CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223077277 569898712 /nfs/dbraw/zinc/89/87/12/569898712.db2.gz PFZJVCRTBHSSPK-HHHXNRCGSA-N 0 0 458.602 4.868 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223079556 569898816 /nfs/dbraw/zinc/89/88/16/569898816.db2.gz USWKVZCDWJVCJS-LJQANCHMSA-N 0 0 475.427 4.778 40 0 JJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3nnc(SCC(C)C)s3)cc2)cc1 ZINC000223081342 569898866 /nfs/dbraw/zinc/89/88/66/569898866.db2.gz BPTMMWHXKSXLMG-UHFFFAOYSA-N 0 0 476.649 4.672 40 0 JJABRN COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223083342 569898946 /nfs/dbraw/zinc/89/89/46/569898946.db2.gz METHVMUXRXJNES-IBGZPJMESA-N 0 0 454.611 4.704 40 0 JJABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223084981 569899007 /nfs/dbraw/zinc/89/90/07/569899007.db2.gz HJBPKVHVJJRRCY-XMMPIXPASA-N 0 0 475.054 4.887 40 0 JJABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000223108076 569899631 /nfs/dbraw/zinc/89/96/31/569899631.db2.gz IZNKVIOWNJEJQH-VWLOTQADSA-N 0 0 486.703 4.956 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223115269 569899882 /nfs/dbraw/zinc/89/98/82/569899882.db2.gz BMOQTOPPAORKQJ-HHHXNRCGSA-N 0 0 458.602 4.930 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(C)=O)cc1 ZINC000223120102 569900034 /nfs/dbraw/zinc/90/00/34/569900034.db2.gz OBCNUYILUWLHNY-AREMUKBSSA-N 0 0 464.993 4.667 40 0 JJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000223125058 569900237 /nfs/dbraw/zinc/90/02/37/569900237.db2.gz LMRUJOBHZFBKCR-QHCPKHFHSA-N 0 0 478.976 4.735 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nnc(-c3ccccc3)s2)c2cc(C)cc(C)c2)cc1 ZINC000223127234 569900322 /nfs/dbraw/zinc/90/03/22/569900322.db2.gz RYJLOCCSUHWFIV-UHFFFAOYSA-N 0 0 492.626 4.964 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccccc1F ZINC000223127208 569900323 /nfs/dbraw/zinc/90/03/23/569900323.db2.gz UGFCYSDBDJQJSJ-RUZDIDTESA-N 0 0 464.606 4.835 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@@H](C)CC)cc1OCC ZINC000223129069 569900399 /nfs/dbraw/zinc/90/03/99/569900399.db2.gz VHNRKWUXUIAAMN-PMACEKPBSA-N 0 0 472.601 4.888 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)N[C@H](C)CC)cc1OCC ZINC000223129255 569900419 /nfs/dbraw/zinc/90/04/19/569900419.db2.gz VHNRKWUXUIAAMN-WOJBJXKFSA-N 0 0 472.601 4.888 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)c(Br)c(C)c1 ZINC000223137938 569900749 /nfs/dbraw/zinc/90/07/49/569900749.db2.gz TYQWNIDBOJUWFH-LJQANCHMSA-N 0 0 481.818 4.652 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)c(Br)c1 ZINC000223138290 569900769 /nfs/dbraw/zinc/90/07/69/569900769.db2.gz ZPLQECVHIJVNIR-IBGZPJMESA-N 0 0 481.818 4.597 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1Cl ZINC000223139534 569900840 /nfs/dbraw/zinc/90/08/40/569900840.db2.gz DYQIUKFTBFDGOD-QGZVFWFLSA-N 0 0 488.209 4.688 40 0 JJABRN O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223142210 569900884 /nfs/dbraw/zinc/90/08/84/569900884.db2.gz TUEQSBLXXZWUAH-VWLOTQADSA-N 0 0 499.438 4.675 40 0 JJABRN CCOc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)cc1OCC ZINC000223142647 569900946 /nfs/dbraw/zinc/90/09/46/569900946.db2.gz IRFHJKMGARUOKE-NRFANRHFSA-N 0 0 461.002 4.623 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223142726 569900983 /nfs/dbraw/zinc/90/09/83/569900983.db2.gz VCWAQTAIXLVEEP-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSc1ccccc1 ZINC000223144124 569901044 /nfs/dbraw/zinc/90/10/44/569901044.db2.gz KKOJHAJNYOHKEF-IRXDYDNUSA-N 0 0 463.441 4.873 40 0 JJABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000223147947 569901149 /nfs/dbraw/zinc/90/11/49/569901149.db2.gz QHVBXMXPHWWWDC-LJQANCHMSA-N 0 0 452.576 4.912 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 ZINC000223149097 569901209 /nfs/dbraw/zinc/90/12/09/569901209.db2.gz KEYUMHZHSXAOCI-UHFFFAOYSA-N 0 0 470.557 4.693 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1c(F)cccc1Cl ZINC000223154784 569901368 /nfs/dbraw/zinc/90/13/68/569901368.db2.gz GMEUREQZGIUUDV-IBGZPJMESA-N 0 0 457.398 4.919 40 0 JJABRN COc1cc2c(cc1S(=O)(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000223167768 569901830 /nfs/dbraw/zinc/90/18/30/569901830.db2.gz CYKUADDBINXGFD-UHFFFAOYSA-N 0 0 476.642 4.670 40 0 JJABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223172173 569901986 /nfs/dbraw/zinc/90/19/86/569901986.db2.gz GAPGAQBEYFWRQX-IBGZPJMESA-N 0 0 466.578 4.696 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 ZINC000223175774 569902124 /nfs/dbraw/zinc/90/21/24/569902124.db2.gz GKIQPFBTYOWXGV-RUZDIDTESA-N 0 0 464.993 4.803 40 0 JJABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)o2)cc1 ZINC000223179267 569902243 /nfs/dbraw/zinc/90/22/43/569902243.db2.gz CFBMKWUQHNBJMP-LOSJGSFVSA-N 0 0 494.686 4.829 40 0 JJABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC)c(Br)c1 ZINC000223182457 569902441 /nfs/dbraw/zinc/90/24/41/569902441.db2.gz OEHIKUMRFKUBFR-LJQANCHMSA-N 0 0 481.818 4.597 40 0 JJABRN C[C@H](NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC000223191008 569902753 /nfs/dbraw/zinc/90/27/53/569902753.db2.gz ULGCZQDGABZDBZ-SFHVURJKSA-N 0 0 466.578 4.772 40 0 JJABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000223190367 569902784 /nfs/dbraw/zinc/90/27/84/569902784.db2.gz NWRJOVFCNYBPOB-QHCPKHFHSA-N 0 0 496.629 4.865 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(Cl)c1 ZINC000223196486 569903024 /nfs/dbraw/zinc/90/30/24/569903024.db2.gz PRAVPEYSHHZRIS-JKSUJKDBSA-N 0 0 481.818 4.813 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C ZINC000223198089 569903089 /nfs/dbraw/zinc/90/30/89/569903089.db2.gz NHGUISFFRBQQLW-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223198175 569903117 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4.998 40 0 JJABRN O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000223207332 569903493 /nfs/dbraw/zinc/90/34/93/569903493.db2.gz VVHHJEIHHWTRLR-MUUNZHRXSA-N 0 0 481.571 4.720 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223209453 569903537 /nfs/dbraw/zinc/90/35/37/569903537.db2.gz VAWNSOHIBRNUGL-MHZLTWQESA-N 0 0 458.602 4.767 40 0 JJABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223211630 569903602 /nfs/dbraw/zinc/90/36/02/569903602.db2.gz PMGMXNGJQWEWJH-MUUNZHRXSA-N 0 0 490.619 4.941 40 0 JJABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223211684 569903606 /nfs/dbraw/zinc/90/36/06/569903606.db2.gz PMGMXNGJQWEWJH-NDEPHWFRSA-N 0 0 490.619 4.941 40 0 JJABRN C[C@@H](NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223211536 569903631 /nfs/dbraw/zinc/90/36/31/569903631.db2.gz AGIRSGWNCBWFJR-LJQANCHMSA-N 0 0 464.587 4.611 40 0 JJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCC(C)CC1 ZINC000223212845 569903670 /nfs/dbraw/zinc/90/36/70/569903670.db2.gz OEIYZXHFBZMPGH-SFHVURJKSA-N 0 0 472.676 4.809 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223216869 569903839 /nfs/dbraw/zinc/90/38/39/569903839.db2.gz RMSPUDNJSPSSFJ-SANMLTNESA-N 0 0 488.628 4.721 40 0 JJABRN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223218574 569903867 /nfs/dbraw/zinc/90/38/67/569903867.db2.gz OKHNFXMOXLVEHN-HNNXBMFYSA-N 0 0 462.543 4.909 40 0 JJABRN O=C(COc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223219142 569903877 /nfs/dbraw/zinc/90/38/77/569903877.db2.gz CBQQISMQBQOIKN-MUUNZHRXSA-N 0 0 497.570 4.556 40 0 JJABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)Oc3ccc(C)cc32)cc1 ZINC000223222983 569903963 /nfs/dbraw/zinc/90/39/63/569903963.db2.gz OSQLIUIKMDJSRZ-DCFHFQCYSA-N 0 0 490.625 4.626 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223224652 569904041 /nfs/dbraw/zinc/90/40/41/569904041.db2.gz SBNQYGDOPUWVKC-INIZCTEOSA-N 0 0 481.818 4.815 40 0 JJABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000223224500 569904042 /nfs/dbraw/zinc/90/40/42/569904042.db2.gz DKLQLGOTXJWVRK-QFIPXVFZSA-N 0 0 480.630 4.775 40 0 JJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223227337 569904205 /nfs/dbraw/zinc/90/42/05/569904205.db2.gz BYDFOFRKUMQPSI-FQEVSTJZSA-N 0 0 479.390 4.644 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1Br ZINC000223227393 569904207 /nfs/dbraw/zinc/90/42/07/569904207.db2.gz BYDFOFRKUMQPSI-HXUWFJFHSA-N 0 0 479.390 4.644 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223234259 569904422 /nfs/dbraw/zinc/90/44/22/569904422.db2.gz OTMHQNIWXJZZTA-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223237482 569904530 /nfs/dbraw/zinc/90/45/30/569904530.db2.gz IBIZIWJYYGMBSK-LHSJRXKWSA-N 0 0 469.434 4.904 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C ZINC000223240665 569904593 /nfs/dbraw/zinc/90/45/93/569904593.db2.gz GFWPKUVBKRFURH-RBUKOAKNSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C ZINC000223240789 569904603 /nfs/dbraw/zinc/90/46/03/569904603.db2.gz GFWPKUVBKRFURH-OALUTQOASA-N 0 0 475.427 4.777 40 0 JJABRN C[C@@H](NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223240463 569904613 /nfs/dbraw/zinc/90/46/13/569904613.db2.gz HJCBVOBVBNQJFZ-OAHLLOKOSA-N 0 0 469.434 4.906 40 0 JJABRN Cc1cc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1Br ZINC000223243381 569904730 /nfs/dbraw/zinc/90/47/30/569904730.db2.gz UISNQYWSSUVPPO-UHFFFAOYSA-N 0 0 473.820 4.904 40 0 JJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223247808 569904793 /nfs/dbraw/zinc/90/47/93/569904793.db2.gz MIUGGSRMOQYKNL-HSZRJFAPSA-N 0 0 471.601 4.831 40 0 JJABRN C[NH+](C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000223246164 569904800 /nfs/dbraw/zinc/90/48/00/569904800.db2.gz JJTQORWRAGYHFB-YADHBBJMSA-N 0 0 485.009 4.617 40 0 JJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C ZINC000223254508 569905048 /nfs/dbraw/zinc/90/50/48/569905048.db2.gz MFNDJWFEHWRYSC-MJGOQNOKSA-N 0 0 475.427 4.777 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223256003 569905069 /nfs/dbraw/zinc/90/50/69/569905069.db2.gz XFRGIFSYKCSXOL-HOTGVXAUSA-N 0 0 465.819 4.977 40 0 JJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000223256027 569905089 /nfs/dbraw/zinc/90/50/89/569905089.db2.gz VXYGRVVQTPZSPC-JWGURIENSA-N 0 0 454.979 4.930 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223255822 569905108 /nfs/dbraw/zinc/90/51/08/569905108.db2.gz XFRGIFSYKCSXOL-HZPDHXFCSA-N 0 0 465.819 4.977 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000223259306 569905178 /nfs/dbraw/zinc/90/51/78/569905178.db2.gz TWMFHGUEUAJHOJ-WIOPSUGQSA-N 0 0 474.601 4.629 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000223259421 569905206 /nfs/dbraw/zinc/90/52/06/569905206.db2.gz TWMFHGUEUAJHOJ-DHLKQENFSA-N 0 0 474.601 4.629 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223261596 569905225 /nfs/dbraw/zinc/90/52/25/569905225.db2.gz ZODXPBDLVMUEJJ-QFIPXVFZSA-N 0 0 454.611 4.667 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223268330 569905468 /nfs/dbraw/zinc/90/54/68/569905468.db2.gz RLBFYZDUFFBXRD-HHHXNRCGSA-N 0 0 458.602 4.794 40 0 JJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(OC)cc1 ZINC000223268160 569905509 /nfs/dbraw/zinc/90/55/09/569905509.db2.gz XHLUYXGWCVYMOF-MHZLTWQESA-N 0 0 474.601 4.760 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000223270423 569905580 /nfs/dbraw/zinc/90/55/80/569905580.db2.gz ULKGNMUUQQBEMB-KRWDZBQOSA-N 0 0 479.390 4.609 40 0 JJABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(=O)C(C)C)cc1 ZINC000223272822 569905685 /nfs/dbraw/zinc/90/56/85/569905685.db2.gz SNNKUKQPBVFMTN-MUUNZHRXSA-N 0 0 488.628 4.659 40 0 JJABRN CS(=O)(=O)N(CCCC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccc1F ZINC000223280904 569905994 /nfs/dbraw/zinc/90/59/94/569905994.db2.gz NNCRQVFPTWTXFY-OAQYLSRUSA-N 0 0 474.598 4.715 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1C(C)C ZINC000223285819 569906197 /nfs/dbraw/zinc/90/61/97/569906197.db2.gz XQQCYUHGBIHCIB-MRXNPFEDSA-N 0 0 497.455 4.533 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C(C)C ZINC000223287671 569906288 /nfs/dbraw/zinc/90/62/88/569906288.db2.gz BBTRRYPQNGUGCP-KRWDZBQOSA-N 0 0 467.031 4.732 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223293113 569906476 /nfs/dbraw/zinc/90/64/76/569906476.db2.gz HJSZHZJHTBCJLO-QHCPKHFHSA-N 0 0 471.601 4.831 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223298835 569906571 /nfs/dbraw/zinc/90/65/71/569906571.db2.gz LULOGAYMNMGWOV-DLBZAZTESA-N 0 0 467.031 4.812 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1C[C@@H]1CCCO1 ZINC000223299576 569906608 /nfs/dbraw/zinc/90/66/08/569906608.db2.gz PMUCXGDSDNUWPB-KNXBSLHKSA-N 0 0 461.616 4.634 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223308190 569906862 /nfs/dbraw/zinc/90/68/62/569906862.db2.gz MCJIZDWSLWLQNQ-RUZDIDTESA-N 0 0 464.993 4.667 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223308244 569906866 /nfs/dbraw/zinc/90/68/66/569906866.db2.gz MCJIZDWSLWLQNQ-VWLOTQADSA-N 0 0 464.993 4.667 40 0 JJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223313439 569907086 /nfs/dbraw/zinc/90/70/86/569907086.db2.gz KHIHUFBOQNGWHU-OAQYLSRUSA-N 0 0 467.393 4.714 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000223315025 569907148 /nfs/dbraw/zinc/90/71/48/569907148.db2.gz XCUUHFLRGAKKNR-WNCULLNHSA-N 0 0 458.602 4.929 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 ZINC000223316062 569907226 /nfs/dbraw/zinc/90/72/26/569907226.db2.gz KJEOKDPEUSPOCD-NEKDWFFYSA-N 0 0 488.628 4.937 40 0 JJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1C[C@@H]1CCCO1 ZINC000223318628 569907373 /nfs/dbraw/zinc/90/73/73/569907373.db2.gz OJDFFRTVRDZDRS-VLCRHTCISA-N 0 0 483.435 4.786 40 0 JJABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000223320509 569907425 /nfs/dbraw/zinc/90/74/25/569907425.db2.gz BGNJAVXKKVIDHH-HHHXNRCGSA-N 0 0 460.574 4.543 40 0 JJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223321259 569907463 /nfs/dbraw/zinc/90/74/63/569907463.db2.gz DBDPEHMOPJARND-MRXNPFEDSA-N 0 0 451.394 4.878 40 0 JJABRN Cc1ccc2c(c1)[C@H](NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O)CC(C)(C)O2 ZINC000223327973 569907706 /nfs/dbraw/zinc/90/77/06/569907706.db2.gz RDTWCTZKGAREAI-OAQYLSRUSA-N 0 0 458.624 4.577 40 0 JJABRN COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C(C)C ZINC000223335083 569907924 /nfs/dbraw/zinc/90/79/24/569907924.db2.gz VKYNIIJEYQRASA-IBGZPJMESA-N 0 0 476.639 4.558 40 0 JJABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)c2ccccc2)cc1 ZINC000223337933 569907983 /nfs/dbraw/zinc/90/79/83/569907983.db2.gz QEDXXRPZVFNCAK-VWLOTQADSA-N 0 0 496.629 4.865 40 0 JJABRN COc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1C(C)C ZINC000223352854 569908347 /nfs/dbraw/zinc/90/83/47/569908347.db2.gz FJOAULNNGVICCH-HXUWFJFHSA-N 0 0 460.640 4.859 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000223353910 569908383 /nfs/dbraw/zinc/90/83/83/569908383.db2.gz AOYBJJBXACSYOX-NRFANRHFSA-N 0 0 471.450 4.979 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 ZINC000223353847 569908423 /nfs/dbraw/zinc/90/84/23/569908423.db2.gz AOYBJJBXACSYOX-OAQYLSRUSA-N 0 0 471.450 4.979 40 0 JJABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223361285 569908703 /nfs/dbraw/zinc/90/87/03/569908703.db2.gz PUNAFXLOWHFFOZ-CVDCTZTESA-N 0 0 460.640 4.857 40 0 JJABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223362728 569908773 /nfs/dbraw/zinc/90/87/73/569908773.db2.gz YOWMFBUZLBXKEH-BDYUSTAISA-N 0 0 477.004 4.948 40 0 JJABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223362064 569908795 /nfs/dbraw/zinc/90/87/95/569908795.db2.gz OQMWKAJYTYLSGF-FDDCHVKYSA-N 0 0 476.639 4.558 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223363599 569908860 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YAYNRWCNBMUPSZ-ZIAGYGMSSA-N 0 0 476.948 4.953 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223400385 569909928 /nfs/dbraw/zinc/90/99/28/569909928.db2.gz RXZRTZZPKMCTNZ-NRFANRHFSA-N 0 0 473.013 4.766 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223403947 569910012 /nfs/dbraw/zinc/91/00/12/569910012.db2.gz YRYWFHOQYAQKNT-DEOSSOPVSA-N 0 0 493.003 4.778 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(F)cc1 ZINC000223405444 569910119 /nfs/dbraw/zinc/91/01/19/569910119.db2.gz CKFPPTUASDTIKR-DEOSSOPVSA-N 0 0 468.956 4.634 40 0 JJABRN COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223406395 569910177 /nfs/dbraw/zinc/91/01/77/569910177.db2.gz MXYPAIZREYUYOU-RPBOFIJWSA-N 0 0 468.582 4.832 40 0 JJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000223407308 569910212 /nfs/dbraw/zinc/91/02/12/569910212.db2.gz GAJKSSAXEWCWGS-QFIPXVFZSA-N 0 0 460.615 4.790 40 0 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ZINC000223422962 569910827 /nfs/dbraw/zinc/91/08/27/569910827.db2.gz KDMLYZXSXNMVQN-VPUSJEBWSA-N 0 0 477.004 4.948 40 0 JJABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223425383 569910875 /nfs/dbraw/zinc/91/08/75/569910875.db2.gz IWSPGMZFUOPZFV-AREMUKBSSA-N 0 0 464.993 4.805 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC ZINC000223428994 569911047 /nfs/dbraw/zinc/91/10/47/569911047.db2.gz AKPJCWSXGLZNCI-ZEQKJWHPSA-N 0 0 488.628 4.937 40 0 JJABRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000223434485 569911307 /nfs/dbraw/zinc/91/13/07/569911307.db2.gz UVZQUYJMSANSSU-IBGZPJMESA-N 0 0 451.032 4.997 40 0 JJABRN COc1cccc(N(CCCC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000223437189 569911370 /nfs/dbraw/zinc/91/13/70/569911370.db2.gz CGPCJDXGZDILHZ-UHFFFAOYSA-N 0 0 454.548 4.672 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(CC)cc1 ZINC000223442304 569911536 /nfs/dbraw/zinc/91/15/36/569911536.db2.gz BYDJSAAACVXSBV-SANMLTNESA-N 0 0 462.565 4.543 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223441919 569911556 /nfs/dbraw/zinc/91/15/56/569911556.db2.gz UFCNKHYKLLODRZ-VWLOTQADSA-N 0 0 482.983 4.943 40 0 JJABRN COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1 ZINC000223445590 569911591 /nfs/dbraw/zinc/91/15/91/569911591.db2.gz KPFDNKVCPUJGHE-IZZNHLLZSA-N 0 0 498.608 4.840 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1Cc1ccncc1 ZINC000223451085 569911733 /nfs/dbraw/zinc/91/17/33/569911733.db2.gz GMCMFGYGNISTIS-RPBOFIJWSA-N 0 0 454.603 4.511 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000223453129 569911797 /nfs/dbraw/zinc/91/17/97/569911797.db2.gz CWJXVJSGAPLPEK-DEOSSOPVSA-N 0 0 470.947 4.937 40 0 JJABRN Cc1cc(C)cc(N(CC(=O)NCCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223468946 569912314 /nfs/dbraw/zinc/91/23/14/569912314.db2.gz GLLUIGZCQBQKCO-UHFFFAOYSA-N 0 0 456.995 4.511 40 0 JJABRN 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COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)o1 ZINC000223482595 569912921 /nfs/dbraw/zinc/91/29/21/569912921.db2.gz WCCGFMBDNPJYMQ-RPWUZVMVSA-N 0 0 470.554 4.696 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21 ZINC000223485522 569912988 /nfs/dbraw/zinc/91/29/88/569912988.db2.gz IJYWCRHBMADJCC-KRWDZBQOSA-N 0 0 465.575 4.616 40 0 JJABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21 ZINC000223485479 569913019 /nfs/dbraw/zinc/91/30/19/569913019.db2.gz IJYWCRHBMADJCC-QGZVFWFLSA-N 0 0 465.575 4.616 40 0 JJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1ccncc1 ZINC000223486630 569913104 /nfs/dbraw/zinc/91/31/04/569913104.db2.gz NQHWJCWSNMQQAN-JWQCQUIFSA-N 0 0 454.603 4.511 40 0 JJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1Cc1ccncc1 ZINC000223486744 569913111 /nfs/dbraw/zinc/91/31/11/569913111.db2.gz NQHWJCWSNMQQAN-LOSJGSFVSA-N 0 0 454.603 4.511 40 0 JJABRN COc1cccc(N(CC(=O)Nc2ccc(Cc3ccncc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223487550 569913165 /nfs/dbraw/zinc/91/31/65/569913165.db2.gz OIPKAFHFBWSVAS-UHFFFAOYSA-N 0 0 487.581 4.515 40 0 JJABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br ZINC000223491181 569913271 /nfs/dbraw/zinc/91/32/71/569913271.db2.gz DFZZDZWBWWMVTQ-NRFANRHFSA-N 0 0 483.406 4.577 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1F ZINC000223495672 569913470 /nfs/dbraw/zinc/91/34/70/569913470.db2.gz OUHXOPAUQIAJHR-RUZDIDTESA-N 0 0 482.596 4.974 40 0 JJABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223496534 569913545 /nfs/dbraw/zinc/91/35/45/569913545.db2.gz TWDKKHRAZZHYRS-DEOSSOPVSA-N 0 0 468.956 4.634 40 0 JJABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223498366 569913614 /nfs/dbraw/zinc/91/36/14/569913614.db2.gz HEAFOCCEEWQJFY-XMMPIXPASA-N 0 0 470.947 4.937 40 0 JJABRN CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000223500026 569913738 /nfs/dbraw/zinc/91/37/38/569913738.db2.gz KGXPIFSGRDHQEB-UHFFFAOYSA-N 0 0 497.488 4.976 40 0 JJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223512622 569914107 /nfs/dbraw/zinc/91/41/07/569914107.db2.gz LXLYSAAXDIGEEL-FQEVSTJZSA-N 0 0 454.611 4.705 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 ZINC000223512013 569914123 /nfs/dbraw/zinc/91/41/23/569914123.db2.gz VKXPUGXPFILNTK-UHFFFAOYSA-N 0 0 458.967 4.629 40 0 JJABRN Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000223514734 569914196 /nfs/dbraw/zinc/91/41/96/569914196.db2.gz LVRULIPZNOJTAB-UHFFFAOYSA-N 0 0 493.412 4.692 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc3ccccc32)c2ccccc2C)cc1 ZINC000223515022 569914209 /nfs/dbraw/zinc/91/42/09/569914209.db2.gz YJOVVIRMMKLMPZ-UHFFFAOYSA-N 0 0 488.609 4.847 40 0 JJABRN Cc1ccc(N(CC(=O)NCCOc2cccc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223515173 569914250 /nfs/dbraw/zinc/91/42/50/569914250.db2.gz XSQYBQGTLGCSEX-UHFFFAOYSA-N 0 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AJWYNAKXLNJQHF-UHFFFAOYSA-N 0 0 484.990 4.693 40 0 JJABRN Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811904 569924052 /nfs/dbraw/zinc/92/40/52/569924052.db2.gz LEVXPDBTDGKBJI-SFHVURJKSA-N 0 0 473.411 4.612 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223815324 569924181 /nfs/dbraw/zinc/92/41/81/569924181.db2.gz FWVGHACRSQWESD-OAQYLSRUSA-N 0 0 479.390 4.691 40 0 JJABRN CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000223822464 569924313 /nfs/dbraw/zinc/92/43/13/569924313.db2.gz VSRWWUMANBJCJO-OAQYLSRUSA-N 0 0 467.031 4.512 40 0 JJABRN CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223822250 569924327 /nfs/dbraw/zinc/92/43/27/569924327.db2.gz OLOPPJJZEMMCNJ-FQEVSTJZSA-N 0 0 467.031 4.512 40 0 JJABRN C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223866996 569925630 /nfs/dbraw/zinc/92/56/30/569925630.db2.gz IXVMQXMMGFOORN-GOSISDBHSA-N 0 0 455.601 4.752 40 0 JJABRN COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 ZINC000223880218 569926050 /nfs/dbraw/zinc/92/60/50/569926050.db2.gz HOYMKWPRFSUTOK-BJKOFHAPSA-N 0 0 470.554 4.542 40 0 JJABRN COCc1cccc(NC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)c1 ZINC000223880709 569926085 /nfs/dbraw/zinc/92/60/85/569926085.db2.gz AJQNEIHGJFNHOE-UHFFFAOYSA-N 0 0 482.646 4.706 40 0 JJABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)nc1 ZINC000223887003 569926329 /nfs/dbraw/zinc/92/63/29/569926329.db2.gz XUJZMHCVGIKSSV-JWQCQUIFSA-N 0 0 454.603 4.819 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1C ZINC000223889629 569926360 /nfs/dbraw/zinc/92/63/60/569926360.db2.gz METIKNUGRGUBJW-SFHVURJKSA-N 0 0 477.468 4.934 40 0 JJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1 ZINC000223889451 569926369 /nfs/dbraw/zinc/92/63/69/569926369.db2.gz XDGUNGOSDFIFQM-QGZVFWFLSA-N 0 0 463.441 4.626 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc(C)cc1 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4.784 40 0 JJABRN Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)S(C)(=O)=O)c1 ZINC000223951080 569928261 /nfs/dbraw/zinc/92/82/61/569928261.db2.gz CZNWCSSWNYUTGI-UHFFFAOYSA-N 0 0 490.676 4.874 40 0 JJABRN Cc1cccc(OCCNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1C ZINC000223959043 569928413 /nfs/dbraw/zinc/92/84/13/569928413.db2.gz JEAPYHJWYBRPKB-UHFFFAOYSA-N 0 0 480.630 4.695 40 0 JJABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223962461 569928540 /nfs/dbraw/zinc/92/85/40/569928540.db2.gz PHMHYLMCRZYGOE-IBGZPJMESA-N 0 0 475.427 4.860 40 0 JJABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C ZINC000223963823 569928605 /nfs/dbraw/zinc/92/86/05/569928605.db2.gz PANWFRZNFBUDPX-WNCULLNHSA-N 0 0 488.628 4.937 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2ccccc2Cl)cc1 ZINC000223967322 569928817 /nfs/dbraw/zinc/92/88/17/569928817.db2.gz URCMTKJBVXDANP-UHFFFAOYSA-N 0 0 467.056 4.636 40 0 JJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2C)c(C)c1 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NKECXLAYSVHHTG-RUZDIDTESA-N 0 0 462.590 4.951 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223977527 569929198 /nfs/dbraw/zinc/92/91/98/569929198.db2.gz AEDPZKDIKXXNBZ-VWLOTQADSA-N 0 0 464.993 4.885 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 ZINC000223982778 569929413 /nfs/dbraw/zinc/92/94/13/569929413.db2.gz GNZHOOWJOBMSKA-UHFFFAOYSA-N 0 0 450.438 4.767 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000223984276 569929451 /nfs/dbraw/zinc/92/94/51/569929451.db2.gz QZEVGKSWHUERFA-UHFFFAOYSA-N 0 0 450.438 4.767 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cc(C)ccc2C)c2cccc(C)c2C)cc1 ZINC000223995465 569929819 /nfs/dbraw/zinc/92/98/19/569929819.db2.gz KOGFQZKQUGFLGZ-UHFFFAOYSA-N 0 0 480.630 4.619 40 0 JJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 ZINC000224000516 569929942 /nfs/dbraw/zinc/92/99/42/569929942.db2.gz BHOWHOKIELUWQH-ROUUACIJSA-N 0 0 460.378 4.811 40 0 JJABRN Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000224001865 569930003 /nfs/dbraw/zinc/93/00/03/569930003.db2.gz FKEVUHCGBOZPSH-UHFFFAOYSA-N 0 0 472.994 4.875 40 0 JJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1nccs1 ZINC000224003657 569930065 /nfs/dbraw/zinc/93/00/65/569930065.db2.gz NBGWKNIEFUUZTG-YADHBBJMSA-N 0 0 475.599 4.851 40 0 JJABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 ZINC000224003970 569930152 /nfs/dbraw/zinc/93/01/52/569930152.db2.gz WLICQUVTPNFTIQ-DWACAAAGSA-N 0 0 488.628 4.801 40 0 JJABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 ZINC000224012906 569930417 /nfs/dbraw/zinc/93/04/17/569930417.db2.gz OHNFFLGWDIAJGG-JIPXPUAJSA-N 0 0 492.591 4.768 40 0 JJABRN COc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224015101 569930556 /nfs/dbraw/zinc/93/05/56/569930556.db2.gz MUYFOYWBWDIURX-KRWDZBQOSA-N 0 0 461.027 4.917 40 0 JJABRN C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224016273 569930570 /nfs/dbraw/zinc/93/05/70/569930570.db2.gz PUPSQOOGWBDEEJ-OAHLLOKOSA-N 0 0 487.449 4.641 40 0 JJABRN C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224016006 569930614 /nfs/dbraw/zinc/93/06/14/569930614.db2.gz IHNOKOIVUFROGM-OAHLLOKOSA-N 0 0 478.401 4.772 40 0 JJABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000224019373 569930720 /nfs/dbraw/zinc/93/07/20/569930720.db2.gz AGWFCJIATOSKAO-RUZDIDTESA-N 0 0 464.993 4.885 40 0 JJABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000224020184 569930757 /nfs/dbraw/zinc/93/07/57/569930757.db2.gz VDSFYUZNLPCOCF-SANMLTNESA-N 0 0 458.602 4.849 40 0 JJABRN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000224019263 569930760 /nfs/dbraw/zinc/93/07/60/569930760.db2.gz UIGVOQHQCNKNRY-GOSISDBHSA-N 0 0 460.665 4.883 40 0 JJABRN CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224022993 569930880 /nfs/dbraw/zinc/93/08/80/569930880.db2.gz BVMPRAIIXRRVMF-CLJLJLNGSA-N 0 0 483.597 4.844 40 0 JJABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224023587 569930882 /nfs/dbraw/zinc/93/08/82/569930882.db2.gz QSJQSUQAYABKJQ-BJKOFHAPSA-N 0 0 458.518 4.917 40 0 JJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000224023506 569930898 /nfs/dbraw/zinc/93/08/98/569930898.db2.gz RVOBKUNBBZLAFQ-HSZRJFAPSA-N 0 0 460.615 4.791 40 0 JJABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1 ZINC000224024080 569930967 /nfs/dbraw/zinc/93/09/67/569930967.db2.gz LRGGVLOTJJMOJX-ZEQRLZLVSA-N 0 0 458.518 4.917 40 0 JJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)C ZINC000224029854 569931181 /nfs/dbraw/zinc/93/11/81/569931181.db2.gz UABNAPSYVLBLOI-DEOSSOPVSA-N 0 0 454.611 4.921 40 0 JJABRN 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/nfs/dbraw/zinc/11/42/94/570114294.db2.gz DMGAVRNNTYQXKD-UHFFFAOYSA-N 0 0 497.705 4.845 40 0 JJABRN Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@H](Cc3cccc4ncccc34)C2)c1 ZINC000257220870 570114407 /nfs/dbraw/zinc/11/44/07/570114407.db2.gz DMNQMDPLWRYUHG-OAQYLSRUSA-N 0 0 471.557 4.750 40 0 JJABRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Br)c2)n1C ZINC000409062575 570115053 /nfs/dbraw/zinc/11/50/53/570115053.db2.gz WZUPKMHPAWTYLR-UHFFFAOYSA-N 0 0 451.777 4.937 40 0 JJABRN COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)c4cccc(Cn5ccnc5)c4)CC[C@@H]3O[C@H]21 ZINC000257224825 570115632 /nfs/dbraw/zinc/11/56/32/570115632.db2.gz FDOCIJFUMLRZAH-BPEMXEAKSA-N 0 0 487.600 4.720 40 0 JJABRN CCOc1ccc(NC(=O)CN(Cc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409064529 570115796 /nfs/dbraw/zinc/11/57/96/570115796.db2.gz PSXMVGJPVWJNCD-UHFFFAOYSA-N 0 0 472.994 4.877 40 0 JJABRN CC(=O)N1CCN(Cc2ccccc2OCc2ccccn2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257225986 570115792 /nfs/dbraw/zinc/11/57/92/570115792.db2.gz FIRJNMRVSOPJRX-MHZLTWQESA-N 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CCn1nc2c(c1C(=O)N1CCC3(CC1)CO[C@@H]1c4cccc(OC)c4OC(C)(C)[C@H]1C3)CCCC2 ZINC000257230988 570117261 /nfs/dbraw/zinc/11/72/61/570117261.db2.gz GESRCBKNUZFVNG-SQJMNOBHSA-N 0 0 493.648 4.962 40 0 JJABRN O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257231791 570117499 /nfs/dbraw/zinc/11/74/99/570117499.db2.gz GIGKILHLVOPJOL-NRFANRHFSA-N 0 0 457.509 4.673 40 0 JJABRN COc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)c3ccc(-n4cccn4)nc3)n2)cc1 ZINC000257231713 570117518 /nfs/dbraw/zinc/11/75/18/570117518.db2.gz GHXIWTMPMAENPF-QFIPXVFZSA-N 0 0 470.533 4.534 40 0 JJABRN O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1c1ccccc1Cl ZINC000409069315 570117728 /nfs/dbraw/zinc/11/77/28/570117728.db2.gz MKJHYEJSCBDGKL-ZSOIEALJSA-N 0 0 457.676 4.891 40 0 JJABRN CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257233239 570117913 /nfs/dbraw/zinc/11/79/13/570117913.db2.gz GOJDNBXIPHHHTJ-SANMLTNESA-N 0 0 464.541 4.707 40 0 JJABRN COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3Cn3ccnc3C)n2)cc1 ZINC000257233730 570118102 /nfs/dbraw/zinc/11/81/02/570118102.db2.gz GQMLJUAIUOHUOW-VWLOTQADSA-N 0 0 453.546 4.683 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccc(Br)cc2)cc1 ZINC000409070921 570118212 /nfs/dbraw/zinc/11/82/12/570118212.db2.gz NQZGAEXCPPYHSN-UHFFFAOYSA-N 0 0 493.467 4.787 40 0 JJABRN Cc1cc(C)nc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5ccncc54)C3)c2)n1 ZINC000257233751 570118194 /nfs/dbraw/zinc/11/81/94/570118194.db2.gz GQOOVTNTXDCFCP-NRFANRHFSA-N 0 0 467.573 4.717 40 0 JJABRN CC(C)c1cc(Nc2ccc(F)cn2)nc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257236720 570119204 /nfs/dbraw/zinc/11/92/04/570119204.db2.gz HDKHFCZJFOZNEE-UHFFFAOYSA-N 0 0 466.536 4.835 40 0 JJABRN O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000257237288 570119386 /nfs/dbraw/zinc/11/93/86/570119386.db2.gz HFWALWBGKYIUHH-IBGZPJMESA-N 0 0 470.508 4.961 40 0 JJABRN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCc3nc4ccccc4n3C)CCCO2)c1 ZINC000257238574 570119751 /nfs/dbraw/zinc/11/97/51/570119751.db2.gz HLQPKVTXZFLZOF-LJAQVGFWSA-N 0 0 469.585 4.700 40 0 JJABRN NC(=O)c1ccc(-c2nccc([C@H]3CCCN3C(=O)C3(c4ccccc4F)CCCC3)n2)cc1 ZINC000257238776 570119791 /nfs/dbraw/zinc/11/97/91/570119791.db2.gz HMMJARAWWGGVBO-HSZRJFAPSA-N 0 0 458.537 4.557 40 0 JJABRN CC(=O)N1CCN(C(=O)C2(c3ccccc3)CCCC2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257239107 570119886 /nfs/dbraw/zinc/11/98/86/570119886.db2.gz HNZVVAYUDONLSY-HSZRJFAPSA-N 0 0 455.602 4.596 40 0 JJABRN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccc(Cl)c(F)c2)C1 ZINC000257240063 570120191 /nfs/dbraw/zinc/12/01/91/570120191.db2.gz HRXFYZBYZGCYBA-JWQCQUIFSA-N 0 0 468.956 4.863 40 0 JJABRN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000409077092 570120344 /nfs/dbraw/zinc/12/03/44/570120344.db2.gz CUOMYXFUXUOIGJ-UHFFFAOYSA-N 0 0 491.329 4.507 40 0 JJABRN COc1ccc(C(=O)N2CCC[C@H](Cc3cccn4ccnc34)CC2)cc1NCc1cccnc1 ZINC000257240392 570120326 /nfs/dbraw/zinc/12/03/26/570120326.db2.gz HTFHSXXWUHJDDB-NRFANRHFSA-N 0 0 469.589 4.835 40 0 JJABRN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](c4nccnc4Oc4ccccc4C)C3)cn2)n1 ZINC000257240674 570120405 /nfs/dbraw/zinc/12/04/05/570120405.db2.gz HUQMKBXZDDCPPE-JOCHJYFZSA-N 0 0 468.561 4.795 40 0 JJABRN O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257241377 570120544 /nfs/dbraw/zinc/12/05/44/570120544.db2.gz HXVOIINEKUOWJO-HXUWFJFHSA-N 0 0 457.509 4.673 40 0 JJABRN CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCO)Cc4ccncc4)ccc3O2)cc1 ZINC000257243267 570120997 /nfs/dbraw/zinc/12/09/97/570120997.db2.gz IGDMFRQKTBZCKE-LJAQVGFWSA-N 0 0 458.602 4.705 40 0 JJABRN Cc1cc(OCC2(CC(N)=O)CCN(C(=O)Cc3ccccc3Br)CC2)ccc1Cl ZINC000257243973 570121151 /nfs/dbraw/zinc/12/11/51/570121151.db2.gz IJJCXDYRBHEHRC-UHFFFAOYSA-N 0 0 493.829 4.517 40 0 JJABRN CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(C(=O)C3(c4cccc(F)c4)CCCC3)CC[C@H]21 ZINC000257244186 570121303 /nfs/dbraw/zinc/12/13/03/570121303.db2.gz IKGQZHZHBIMNEB-UBFVSLLYSA-N 0 0 452.545 4.640 40 0 JJABRN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257244731 570121446 /nfs/dbraw/zinc/12/14/46/570121446.db2.gz IMNQGTYDHOQMLH-LJQANCHMSA-N 0 0 471.517 4.559 40 0 JJABRN Cc1nc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000257248631 570122730 /nfs/dbraw/zinc/12/27/30/570122730.db2.gz JENLWLZKYWRCPJ-UHFFFAOYSA-N 0 0 488.489 4.900 40 0 JJABRN O=C(N1CCC2(CC1)CC(=O)NC[C@H]2c1cccc(F)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000257249790 570122995 /nfs/dbraw/zinc/12/29/95/570122995.db2.gz JJUDTOJICHJCEL-QHCPKHFHSA-N 0 0 452.545 4.689 40 0 JJABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 ZINC000257250637 570123365 /nfs/dbraw/zinc/12/33/65/570123365.db2.gz JNJXAAFOHPOKNT-OAQYLSRUSA-N 0 0 458.497 4.665 40 0 JJABRN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)c(NCc3ccncc3)c2)C[C@]12CCCCC(=O)N2 ZINC000257250704 570123367 /nfs/dbraw/zinc/12/33/67/570123367.db2.gz JNQVGDWGFWLXJE-SETSBSEESA-N 0 0 498.627 4.679 40 0 JJABRN CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCCCC3)C2)on1 ZINC000257252902 570124018 /nfs/dbraw/zinc/12/40/18/570124018.db2.gz JWPDKUHEERUTNY-AVRDEDQJSA-N 0 0 474.001 4.764 40 0 JJABRN C[C@]12CCN(C(=O)c3cccc(Nc4ncccn4)c3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257252621 570124043 /nfs/dbraw/zinc/12/40/43/570124043.db2.gz JVMAWFNJVIUFHS-CUBQBAPOSA-N 0 0 469.589 4.796 40 0 JJABRN NC(=O)C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257256076 570124970 /nfs/dbraw/zinc/12/49/70/570124970.db2.gz KJZYQSMCYPODDF-RUZDIDTESA-N 0 0 472.988 4.854 40 0 JJABRN COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C ZINC000409091668 570125005 /nfs/dbraw/zinc/12/50/05/570125005.db2.gz SWHUYSXTGSGQMQ-DHDCSXOGSA-N 0 0 488.245 4.953 40 0 JJABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000257256470 570125071 /nfs/dbraw/zinc/12/50/71/570125071.db2.gz KLQCXUZDXXVYNX-HSZRJFAPSA-N 0 0 460.965 4.897 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000409093622 570125739 /nfs/dbraw/zinc/12/57/39/570125739.db2.gz BJCKVQIMPIOPON-AWOYWQDDSA-N 0 0 486.384 4.623 40 0 JJABRN COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(I)c1O ZINC000409094293 570126056 /nfs/dbraw/zinc/12/60/56/570126056.db2.gz DLBNMPVRAXZACX-WCIBSUBMSA-N 0 0 461.177 4.517 40 0 JJABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O ZINC000409094704 570126071 /nfs/dbraw/zinc/12/60/71/570126071.db2.gz FLABVHRORYYGSV-NNLQFVHNSA-N 0 0 494.338 4.765 40 0 JJABRN Cc1cc(C)n(-c2cccc(C(=O)N3CCC4(C[C@@H](Oc5cccc(Cl)c5)CO4)CC3)c2)n1 ZINC000257259407 570126087 /nfs/dbraw/zinc/12/60/87/570126087.db2.gz KYFOSUKIAKFRGX-XMMPIXPASA-N 0 0 465.981 4.985 40 0 JJABRN CC[C@H](C)Oc1c(I)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OC ZINC000409094793 570126118 /nfs/dbraw/zinc/12/61/18/570126118.db2.gz GCKOPANPOCXGSB-RSYJBZMQSA-N 0 0 461.321 4.533 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3ccc4ccncc4c3)C2)c1 ZINC000257259543 570126194 /nfs/dbraw/zinc/12/61/94/570126194.db2.gz KYWBLWIQYDNQTL-OAQYLSRUSA-N 0 0 468.557 4.713 40 0 JJABRN O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257259622 570126195 /nfs/dbraw/zinc/12/61/95/570126195.db2.gz KZFAWDRKJAHGLW-FQEVSTJZSA-N 0 0 452.518 4.822 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409095846 570126541 /nfs/dbraw/zinc/12/65/41/570126541.db2.gz DMWJASPMRFAKBV-VZWMTCDZSA-N 0 0 455.960 4.904 40 0 JJABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2ccccc2Cn2cccn2)n1 ZINC000257261259 570126723 /nfs/dbraw/zinc/12/67/23/570126723.db2.gz LGLMMYIMRCSIDI-HSZRJFAPSA-N 0 0 472.980 4.991 40 0 JJABRN CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)c1ccnc(Cc3cccc(F)c3)c1)CC2 ZINC000257261166 570126724 /nfs/dbraw/zinc/12/67/24/570126724.db2.gz LGAQECWYKFFZEI-SANMLTNESA-N 0 0 459.565 4.712 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)ccc3OCC)C2=O)cc1 ZINC000409096821 570126969 /nfs/dbraw/zinc/12/69/69/570126969.db2.gz FCNDQGWIQNZGCA-UNOMPAQXSA-N 0 0 460.939 4.812 40 0 JJABRN CC(C)(C)c1ccc(C(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CCOCC3)CC2)cc1 ZINC000257262718 570127228 /nfs/dbraw/zinc/12/72/28/570127228.db2.gz LMOCPDOXRKORBF-UHFFFAOYSA-N 0 0 496.623 4.674 40 0 JJABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Br)C2=O)cc1 ZINC000409098190 570127517 /nfs/dbraw/zinc/12/75/17/570127517.db2.gz OFHWHRPBIXYXKU-GZTJUZNOSA-N 0 0 461.337 4.523 40 0 JJABRN O=C(c1cccc(Nc2ncccn2)c1)N1CCC2(C[C@H](Oc3ccccc3Cl)CO2)CC1 ZINC000257263761 570127526 /nfs/dbraw/zinc/12/75/26/570127526.db2.gz LRIGAZLEDUNAJE-FQEVSTJZSA-N 0 0 464.953 4.716 40 0 JJABRN Cc1ccc(C(=O)N2CCOC[C@H](Cc3cnc4ccccc4c3)C2)cc1NCc1ccncc1 ZINC000257265567 570128034 /nfs/dbraw/zinc/12/80/34/570128034.db2.gz LZFBLBPPVJCYKK-XMMPIXPASA-N 0 0 466.585 4.882 40 0 JJABRN Cn1cc(-c2cccc(C(=O)N3CCC[C@H](c4cccc(Cc5ccc(F)cc5)n4)C3)n2)cn1 ZINC000257265542 570128089 /nfs/dbraw/zinc/12/80/89/570128089.db2.gz LZCJDKPYLSAOSD-FQEVSTJZSA-N 0 0 455.537 4.627 40 0 JJABRN O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)c2c(Cl)cccc2Cl)C1)N1CCOCC1 ZINC000257268029 570128933 /nfs/dbraw/zinc/12/89/33/570128933.db2.gz MJYJHZOJTUXPID-RUZDIDTESA-N 0 0 491.415 4.544 40 0 JJABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257267907 570129014 /nfs/dbraw/zinc/12/90/14/570129014.db2.gz MJJNWDRAEXMFBU-DEOSSOPVSA-N 0 0 456.937 4.550 40 0 JJABRN COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3cccc4cnccc43)C2)cc1 ZINC000257269004 570129283 /nfs/dbraw/zinc/12/92/83/570129283.db2.gz MODSEMZEOXISIV-HXUWFJFHSA-N 0 0 468.557 4.713 40 0 JJABRN O=C(C[C@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000257269990 570129561 /nfs/dbraw/zinc/12/95/61/570129561.db2.gz MSHKMUFIFHFGEL-RUZDIDTESA-N 0 0 491.415 4.544 40 0 JJABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257270936 570129817 /nfs/dbraw/zinc/12/98/17/570129817.db2.gz MWGCGYNEMTXHTG-FQEVSTJZSA-N 0 0 453.502 4.871 40 0 JJABRN O=C(Cc1ccccc1F)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257271949 570130219 /nfs/dbraw/zinc/13/02/19/570130219.db2.gz NALLTUQBOCRTRN-RDPSFJRHSA-N 0 0 472.988 4.720 40 0 JJABRN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CN(c5ccc(F)cc5)C(=O)O4)CC3)CCOCC2)cc1 ZINC000257276500 570131619 /nfs/dbraw/zinc/13/16/19/570131619.db2.gz NUACGSHXRYBHQF-SANMLTNESA-N 0 0 466.553 4.590 40 0 JJABRN CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000257278439 570132164 /nfs/dbraw/zinc/13/21/64/570132164.db2.gz OCHSIOFWBVFHAX-KOSHJBKYSA-N 0 0 464.437 4.651 40 0 JJABRN COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCN3CCc4ccccc43)CCCO2)cc1 ZINC000257278314 570132196 /nfs/dbraw/zinc/13/21/96/570132196.db2.gz OBTBCBHXHNYBIY-LJAQVGFWSA-N 0 0 474.576 4.772 40 0 JJABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000409111717 570132377 /nfs/dbraw/zinc/13/23/77/570132377.db2.gz CDWRNRODZCIOHB-UHFFFAOYSA-N 0 0 463.386 4.814 40 0 JJABRN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2Cc1ccccc1OCC(=O)[O-] ZINC000257279157 570132401 /nfs/dbraw/zinc/13/24/01/570132401.db2.gz OFFQMKGHNFOBTE-FBMGDHKISA-N 0 0 476.617 4.515 40 0 JJABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)COc3ccc(C)cc3OC)o2)c1 ZINC000257279045 570132479 /nfs/dbraw/zinc/13/24/79/570132479.db2.gz OETXTXMXBZQGCH-JOCHJYFZSA-N 0 0 450.535 4.724 40 0 JJABRN COc1ccc(C(=O)N2CCC3(C[C@@H](Oc4ccccc4)CO3)CC2)cc1NCc1cccnc1 ZINC000257279490 570132619 /nfs/dbraw/zinc/13/26/19/570132619.db2.gz OGWWNVAXUBNLEZ-XMMPIXPASA-N 0 0 473.573 4.545 40 0 JJABRN CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000257282630 570133458 /nfs/dbraw/zinc/13/34/58/570133458.db2.gz OUOGDQYUCJNVQR-UHFFFAOYSA-N 0 0 459.565 4.726 40 0 JJABRN Cc1cccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000409114820 570133605 /nfs/dbraw/zinc/13/36/05/570133605.db2.gz LIZSNKNCUQAJAR-UHFFFAOYSA-N 0 0 498.048 4.501 40 0 JJABRN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(C(=O)C(c4ccccc4)c4ccccc4)C[C@@H]32)cc1 ZINC000257283375 570133680 /nfs/dbraw/zinc/13/36/80/570133680.db2.gz OYACWEROKRKYKO-JCYYIGJDSA-N 0 0 468.597 4.690 40 0 JJABRN Cc1cc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N(C)Cc3ccccc3)CC2)no1 ZINC000257284361 570133922 /nfs/dbraw/zinc/13/39/22/570133922.db2.gz PCJNKDOLSJYCNT-UHFFFAOYSA-N 0 0 496.007 4.987 40 0 JJABRN COC(=O)COc1cc(Br)c(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC ZINC000409116227 570134146 /nfs/dbraw/zinc/13/41/46/570134146.db2.gz JSHHYHBGEZYNBG-MFOYZWKCSA-N 0 0 474.351 4.553 40 0 JJABRN CCN1C(=O)S/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)C1=O ZINC000409118311 570134831 /nfs/dbraw/zinc/13/48/31/570134831.db2.gz PSUVMMMBAWAPSN-VCHYOVAHSA-N 0 0 491.363 4.531 40 0 JJABRN COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3cccc4cccnc43)C2)cc1 ZINC000257287536 570134932 /nfs/dbraw/zinc/13/49/32/570134932.db2.gz PQJLAAZIBHLDSY-FQEVSTJZSA-N 0 0 468.557 4.713 40 0 JJABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000257287664 570134933 /nfs/dbraw/zinc/13/49/33/570134933.db2.gz PQZYUZBTLSBTOL-QHCPKHFHSA-N 0 0 460.965 4.897 40 0 JJABRN Cc1cc(OC[C@@]2(CC(N)=O)CCCN(C(=O)c3ccccc3Br)C2)ccc1Cl ZINC000257287754 570135013 /nfs/dbraw/zinc/13/50/13/570135013.db2.gz PRJGOMLHBMBHIP-JOCHJYFZSA-N 0 0 479.802 4.588 40 0 JJABRN CC(=O)N1CCN(Cc2ccccc2OCc2cccnc2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257290058 570135576 /nfs/dbraw/zinc/13/55/76/570135576.db2.gz QBKFYERHQXEISD-HHHXNRCGSA-N 0 0 459.590 4.853 40 0 JJABRN COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cc1 ZINC000257293494 570136542 /nfs/dbraw/zinc/13/65/42/570136542.db2.gz QPRZAFANAATSAQ-HXUWFJFHSA-N 0 0 457.530 4.911 40 0 JJABRN CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257294445 570136799 /nfs/dbraw/zinc/13/67/99/570136799.db2.gz QUEICXOAARRRLQ-XMMPIXPASA-N 0 0 463.528 4.823 40 0 JJABRN CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000257294444 570136816 /nfs/dbraw/zinc/13/68/16/570136816.db2.gz QUEICXOAARRRLQ-DEOSSOPVSA-N 0 0 463.528 4.823 40 0 JJABRN CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2cc(Br)ccc21 ZINC000409124014 570136974 /nfs/dbraw/zinc/13/69/74/570136974.db2.gz JSSJGQWQXAIRLR-OCKHKDLRSA-N 0 0 492.439 4.965 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(Cl)c2)cc1 ZINC000409124263 570137100 /nfs/dbraw/zinc/13/71/00/570137100.db2.gz AWGAAXPWIHCMEL-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)c1 ZINC000409125532 570137709 /nfs/dbraw/zinc/13/77/09/570137709.db2.gz MYICMFZHAXGEAE-ZDUSSCGKSA-N 0 0 478.405 4.652 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000257297683 570137771 /nfs/dbraw/zinc/13/77/71/570137771.db2.gz RIMCYMFYZKIZPO-NRFANRHFSA-N 0 0 468.557 4.713 40 0 JJABRN Cc1cc(-c2cnc(NC(C)(C)C)nc2C2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)on1 ZINC000257298228 570137938 /nfs/dbraw/zinc/13/79/38/570137938.db2.gz RKSWDVDGCYBPNC-UHFFFAOYSA-N 0 0 462.598 4.736 40 0 JJABRN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCCCCNC(C)=O)CC3)[C@H](C)O[C@H]21 ZINC000257301188 570138733 /nfs/dbraw/zinc/13/87/33/570138733.db2.gz RXIVMTPYYRYLJQ-KIVTUJJHSA-N 0 0 486.653 4.638 40 0 JJABRN COc1ccc(C)cc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000409127847 570138826 /nfs/dbraw/zinc/13/88/26/570138826.db2.gz HUMMQXQEVSAPCR-UHFFFAOYSA-N 0 0 452.576 4.763 40 0 JJABRN Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H](Cc3cccc4cccnc43)CC2)n1 ZINC000257303406 570139354 /nfs/dbraw/zinc/13/93/54/570139354.db2.gz SHCCIMPQZCKBKH-FQEVSTJZSA-N 0 0 467.573 4.706 40 0 JJABRN O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccc(F)cc2F)C1)N1CCCCC1 ZINC000257303759 570139478 /nfs/dbraw/zinc/13/94/78/570139478.db2.gz SIOPBKSJCIFXFL-AREMUKBSSA-N 0 0 456.533 4.669 40 0 JJABRN Cc1cnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)nc(C)n2)s1 ZINC000257304232 570139602 /nfs/dbraw/zinc/13/96/02/570139602.db2.gz SKRDJLHDMATMTI-KRWDZBQOSA-N 0 0 483.541 4.838 40 0 JJABRN COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257304067 570139633 /nfs/dbraw/zinc/13/96/33/570139633.db2.gz SJYAUTHLNBFLAQ-FQEVSTJZSA-N 0 0 457.530 4.911 40 0 JJABRN CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000409130752 570140057 /nfs/dbraw/zinc/14/00/57/570140057.db2.gz WFWWCKDAOGSLGH-UHFFFAOYSA-N 0 0 482.602 4.663 40 0 JJABRN Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000409133204 570141124 /nfs/dbraw/zinc/14/11/24/570141124.db2.gz MXRFUQHNZZNFGF-CYBMUJFWSA-N 0 0 478.405 4.652 40 0 JJABRN COCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)C1=O ZINC000409133406 570141166 /nfs/dbraw/zinc/14/11/66/570141166.db2.gz MHRASWLCDZVNBD-VXLYETTFSA-N 0 0 496.354 4.859 40 0 JJABRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5OC)o4)C3)on2)cc1 ZINC000257309642 570141333 /nfs/dbraw/zinc/14/13/33/570141333.db2.gz UBTVIOQSKUQPQU-HXUWFJFHSA-N 0 0 473.529 4.957 40 0 JJABRN COc1ccc(C(=O)N2CCC[C@@H](Cc3cccc4nccn43)CC2)cc1NCc1cccnc1 ZINC000257309615 570141340 /nfs/dbraw/zinc/14/13/40/570141340.db2.gz UBQCVOWYKWQODH-OAQYLSRUSA-N 0 0 469.589 4.835 40 0 JJABRN Cc1ccc(Oc2ncccc2C(=O)N2C[C@@H](c3ccccc3)[C@]3(C2)CCCCC(=O)N3C)cn1 ZINC000257310282 570141590 /nfs/dbraw/zinc/14/15/90/570141590.db2.gz UEMJTANYKDVFOZ-RBJSKKJNSA-N 0 0 470.573 4.588 40 0 JJABRN Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409134440 570141670 /nfs/dbraw/zinc/14/16/70/570141670.db2.gz SSPPKBVCCFUQIR-UHFFFAOYSA-N 0 0 456.995 4.811 40 0 JJABRN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(OC)c5)o4)C3)on2)cc1 ZINC000257311426 570141839 /nfs/dbraw/zinc/14/18/39/570141839.db2.gz UJJYHVWGXKNGQE-HXUWFJFHSA-N 0 0 473.529 4.957 40 0 JJABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCC[C@H](Cc2cncc3ccccc32)CC1 ZINC000257311289 570141870 /nfs/dbraw/zinc/14/18/70/570141870.db2.gz UIUDHHULLGIMDB-QFIPXVFZSA-N 0 0 471.601 4.721 40 0 JJABRN Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)c1 ZINC000409134901 570141911 /nfs/dbraw/zinc/14/19/11/570141911.db2.gz OOCJXGZKPIJQSG-CYBMUJFWSA-N 0 0 478.405 4.652 40 0 JJABRN Cc1cc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(=O)N(C)Cc3ccccc3)C2)on1 ZINC000257312570 570142321 /nfs/dbraw/zinc/14/23/21/570142321.db2.gz UOOOVSRBLWBNMG-MHZLTWQESA-N 0 0 496.007 4.987 40 0 JJABRN CCc1cccc2c(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)cn(CC(=O)NCCOC)c21 ZINC000409136191 570142420 /nfs/dbraw/zinc/14/24/20/570142420.db2.gz RKAPKPIQGMOLQO-BKUYFWCQSA-N 0 0 498.004 4.861 40 0 JJABRN O=C(c1cccc(-c2cncnc2)n1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000257313960 570142681 /nfs/dbraw/zinc/14/26/81/570142681.db2.gz UUVLZEXARWGFFO-UHFFFAOYSA-N 0 0 453.521 4.683 40 0 JJABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)on1 ZINC000257315036 570142936 /nfs/dbraw/zinc/14/29/36/570142936.db2.gz UZQAQJKRMSJJLC-OAQYLSRUSA-N 0 0 465.941 4.983 40 0 JJABRN CN(Cc1ccccc1)C(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)C2CCOCC2)C1 ZINC000257315111 570142937 /nfs/dbraw/zinc/14/29/37/570142937.db2.gz UZYHILMXKKVOAZ-NDEPHWFRSA-N 0 0 499.051 4.803 40 0 JJABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000409137741 570143108 /nfs/dbraw/zinc/14/31/08/570143108.db2.gz XIXUQMYELZJTLX-KRWDZBQOSA-N 0 0 458.967 4.705 40 0 JJABRN COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)C2)o1 ZINC000257316113 570143416 /nfs/dbraw/zinc/14/34/16/570143416.db2.gz VEDUPCOAVIXTBM-LJQANCHMSA-N 0 0 460.509 4.823 40 0 JJABRN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000409138768 570143530 /nfs/dbraw/zinc/14/35/30/570143530.db2.gz HULPJAVFINWHKA-INIZCTEOSA-N 0 0 472.014 4.790 40 0 JJABRN CO[C@H]1CN(CC(=O)N(c2ccccc2)c2ccccc2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257317496 570143834 /nfs/dbraw/zinc/14/38/34/570143834.db2.gz VJYLHAFTAQWYDY-FIBWVYCGSA-N 0 0 499.611 4.853 40 0 JJABRN C[C@]12CCN(C(=O)C3(c4ccccc4)CCOCC3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257317965 570143951 /nfs/dbraw/zinc/14/39/51/570143951.db2.gz VLXZLKYENHIRQB-LSYYVWMOSA-N 0 0 460.618 4.697 40 0 JJABRN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCOCC2)n1 ZINC000257317991 570143961 /nfs/dbraw/zinc/14/39/61/570143961.db2.gz VMBBEKAXKYABJX-DEOSSOPVSA-N 0 0 474.580 4.761 40 0 JJABRN Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)Cn4c(CC(C)C)nc5ccccc54)C3)n2)n[nH]1 ZINC000257318752 570144057 /nfs/dbraw/zinc/14/40/57/570144057.db2.gz VPFMHKBLKDRABG-FQEVSTJZSA-N 0 0 471.609 4.811 40 0 JJABRN CCc1ccccc1NC(=O)CN1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)c1ccccc1)C2 ZINC000257318637 570144111 /nfs/dbraw/zinc/14/41/11/570144111.db2.gz VOUUCGCERLZWAX-UHFFFAOYSA-N 0 0 483.678 4.533 40 0 JJABRN COC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409140406 570144359 /nfs/dbraw/zinc/14/43/59/570144359.db2.gz DJLYGMDEISWLAM-RUZDIDTESA-N 0 0 460.555 4.542 40 0 JJABRN CCc1cccc2c(/C=C3\SC(=O)N(c4ccc(C)cc4)C3=O)cn(CC(=O)NCCCOC)c21 ZINC000409141076 570144562 /nfs/dbraw/zinc/14/45/62/570144562.db2.gz UAURBEZIWMWOGU-HAHDFKILSA-N 0 0 491.613 4.906 40 0 JJABRN Cc1noc(C)c1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257320940 570144656 /nfs/dbraw/zinc/14/46/56/570144656.db2.gz VZJRXRCQHSYZHH-RDPSFJRHSA-N 0 0 488.028 4.576 40 0 JJABRN 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570154554 /nfs/dbraw/zinc/15/45/54/570154554.db2.gz RYLIDGYWSHZZDW-UHFFFAOYSA-N 0 0 478.405 4.618 40 0 JJABRN C[C@@H]1CCCCN1c1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCc2ccc(F)cc2)n1 ZINC000260707953 570154793 /nfs/dbraw/zinc/15/47/93/570154793.db2.gz COQASFAXMIETBY-ZWKOTPCHSA-N 0 0 456.635 4.717 40 0 JJABRN Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCCC[C@H]3C)n2)cc1 ZINC000260715283 570154991 /nfs/dbraw/zinc/15/49/91/570154991.db2.gz MXIKATRSFYPBPK-QGZVFWFLSA-N 0 0 465.652 4.592 40 0 JJABRN CCOc1ccccc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409171662 570155062 /nfs/dbraw/zinc/15/50/62/570155062.db2.gz CBWBJVKEEVNPQL-UHFFFAOYSA-N 0 0 472.994 4.559 40 0 JJABRN C[C@@H](NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 ZINC000260722969 570155323 /nfs/dbraw/zinc/15/53/23/570155323.db2.gz VZWKAPMTKCUQND-IAGOWNOFSA-N 0 0 465.652 4.844 40 0 JJABRN Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 ZINC000409172382 570155382 /nfs/dbraw/zinc/15/53/82/570155382.db2.gz 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CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1C ZINC000408556233 570197328 /nfs/dbraw/zinc/19/73/28/570197328.db2.gz HDZZKAJXKIRXNL-UHFFFAOYSA-N 0 0 471.406 4.740 40 0 JJABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1 ZINC000408556790 570197726 /nfs/dbraw/zinc/19/77/26/570197726.db2.gz JTJUPFMRDNZSNE-UHFFFAOYSA-N 0 0 474.966 4.838 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3ccccc3)Cc3ccccc3)C2)cc1 ZINC000408557204 570198043 /nfs/dbraw/zinc/19/80/43/570198043.db2.gz MBPZDWIBQDLLED-VWLOTQADSA-N 0 0 492.641 4.715 40 0 JJABRN COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558298 570198873 /nfs/dbraw/zinc/19/88/73/570198873.db2.gz QIKJUVLZUCJQTL-UHFFFAOYSA-N 0 0 452.866 4.680 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)c1ccccc1 ZINC000408558337 570198983 /nfs/dbraw/zinc/19/89/83/570198983.db2.gz QRCJIWZINHZPFV-UHFFFAOYSA-N 0 0 475.364 4.901 40 0 JJABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408559324 570199677 /nfs/dbraw/zinc/19/96/77/570199677.db2.gz VEXGMLWGNBQGDZ-UHFFFAOYSA-N 0 0 454.548 4.575 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)NC1CCCCC1 ZINC000408559529 570199910 /nfs/dbraw/zinc/19/99/10/570199910.db2.gz XQMODIGYFMHTKP-UHFFFAOYSA-N 0 0 469.376 4.760 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000408559924 570200155 /nfs/dbraw/zinc/20/01/55/570200155.db2.gz NMNTWKXYRXGRDI-JOCHJYFZSA-N 0 0 494.613 4.704 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000408561489 570201062 /nfs/dbraw/zinc/20/10/62/570201062.db2.gz TUWAMCDRMMTQIE-UHFFFAOYSA-N 0 0 477.797 4.695 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000408561805 570201216 /nfs/dbraw/zinc/20/12/16/570201216.db2.gz VJMQQISYWKLART-INIZCTEOSA-N 0 0 474.966 4.755 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)cc1 ZINC000408562063 570201460 /nfs/dbraw/zinc/20/14/60/570201460.db2.gz XNOSCJMRXLULMN-CQSZACIVSA-N 0 0 490.931 4.797 40 0 JJABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000408562246 570201582 /nfs/dbraw/zinc/20/15/82/570201582.db2.gz OIGHFKWAYUPGJG-LBPRGKRZSA-N 0 0 477.797 4.695 40 0 JJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408562411 570201731 /nfs/dbraw/zinc/20/17/31/570201731.db2.gz ZPYFVWAONFYLAY-UHFFFAOYSA-N 0 0 478.929 4.940 40 0 JJABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc1 ZINC000408562498 570201847 /nfs/dbraw/zinc/20/18/47/570201847.db2.gz QHLNAOSUKKAMFD-UHFFFAOYSA-N 0 0 462.930 4.860 40 0 JJABRN COC(=O)c1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C ZINC000409325148 570201925 /nfs/dbraw/zinc/20/19/25/570201925.db2.gz WXLGNTWSTXVZCJ-RUZDIDTESA-N 0 0 460.555 4.808 40 0 JJABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409325981 570202118 /nfs/dbraw/zinc/20/21/18/570202118.db2.gz FCBPQSQZIRGJNF-NDEPHWFRSA-N 0 0 487.625 4.895 40 0 JJABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)ccc1OC ZINC000409330007 570203731 /nfs/dbraw/zinc/20/37/31/570203731.db2.gz JMYFYZGGQSTAPP-FYJGNVAPSA-N 0 0 454.548 4.892 40 0 JJABRN COc1cccc2cc(-c3nnc(SCC(=O)c4ccc(Br)cc4)n3C)oc21 ZINC000409330832 570204103 /nfs/dbraw/zinc/20/41/03/570204103.db2.gz NAFNNBRWCCCDJD-UHFFFAOYSA-N 0 0 458.337 4.974 40 0 JJABRN CN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2Cl)CC1 ZINC000408571762 570204767 /nfs/dbraw/zinc/20/47/67/570204767.db2.gz FKLPTYVWYNCZBV-FMIVXFBMSA-N 0 0 481.021 4.878 40 0 JJABRN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408574708 570205471 /nfs/dbraw/zinc/20/54/71/570205471.db2.gz DAWKEPHIEZDHHI-SFHVURJKSA-N 0 0 481.474 4.627 40 0 JJABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408574776 570205532 /nfs/dbraw/zinc/20/55/32/570205532.db2.gz DHHASGPXCDXXQU-UHFFFAOYSA-N 0 0 490.947 4.881 40 0 JJABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)CC1=O ZINC000408575557 570205675 /nfs/dbraw/zinc/20/56/75/570205675.db2.gz DYUWKUFNICPQJZ-SFHVURJKSA-N 0 0 479.939 4.709 40 0 JJABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2)cc1 ZINC000408575732 570205726 /nfs/dbraw/zinc/20/57/26/570205726.db2.gz FOKDNPCADFMPOY-XMMPIXPASA-N 0 0 499.611 4.553 40 0 JJABRN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccc(C)cc2)cc1 ZINC000408576952 570206015 /nfs/dbraw/zinc/20/60/15/570206015.db2.gz HOLFNSFLPLZZQN-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408577339 570206151 /nfs/dbraw/zinc/20/61/51/570206151.db2.gz ZEFSSGHCFLALBM-UHFFFAOYSA-N 0 0 460.939 4.719 40 0 JJABRN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc(OC)c1OC ZINC000408578474 570206285 /nfs/dbraw/zinc/20/62/85/570206285.db2.gz VLIKQQPKGHZOQY-UHFFFAOYSA-N 0 0 490.965 4.727 40 0 JJABRN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)Nc2ccccc2C)cc1 ZINC000408578354 570206304 /nfs/dbraw/zinc/20/63/04/570206304.db2.gz KWOVTFJTOYVCMW-UHFFFAOYSA-N 0 0 490.947 4.963 40 0 JJABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2)cc1 ZINC000408580461 570206587 /nfs/dbraw/zinc/20/65/87/570206587.db2.gz QVCREPQBSJVBFE-DEOSSOPVSA-N 0 0 499.611 4.553 40 0 JJABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000408580663 570206612 /nfs/dbraw/zinc/20/66/12/570206612.db2.gz QKUDNXPPARNVSV-UHFFFAOYSA-N 0 0 479.385 4.977 40 0 JJABRN O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408580834 570206634 /nfs/dbraw/zinc/20/66/34/570206634.db2.gz RODZCZCMTVGZDO-QGZVFWFLSA-N 0 0 499.464 4.766 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000408581821 570206824 /nfs/dbraw/zinc/20/68/24/570206824.db2.gz UOJVRKCVYSRBIJ-UHFFFAOYSA-N 0 0 465.358 4.836 40 0 JJABRN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1C ZINC000408582181 570206910 /nfs/dbraw/zinc/20/69/10/570206910.db2.gz BURZRBBBRWLBFE-QFIPXVFZSA-N 0 0 487.419 4.594 40 0 JJABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408582761 570207047 /nfs/dbraw/zinc/20/70/47/570207047.db2.gz XKYOBCXBBFJLBF-MRXNPFEDSA-N 0 0 490.947 4.503 40 0 JJABRN COc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1OC ZINC000408582820 570207060 /nfs/dbraw/zinc/20/70/60/570207060.db2.gz XYDOFBQOHHOALA-UHFFFAOYSA-N 0 0 495.384 4.845 40 0 JJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000408582895 570207129 /nfs/dbraw/zinc/20/71/29/570207129.db2.gz FSNDZDPFRQSXEN-OAQYLSRUSA-N 0 0 466.603 4.621 40 0 JJABRN Cc1c(Cl)cccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl ZINC000408582912 570207140 /nfs/dbraw/zinc/20/71/40/570207140.db2.gz FVWMVBKXDYWHPX-UHFFFAOYSA-N 0 0 457.379 4.540 40 0 JJABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000408583113 570207201 /nfs/dbraw/zinc/20/72/01/570207201.db2.gz YXRXZKAYWAHDST-IBGZPJMESA-N 0 0 491.975 4.579 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4C)CC3=O)cc2)c(C)c1 ZINC000408583125 570207225 /nfs/dbraw/zinc/20/72/25/570207225.db2.gz YZEOIBPDLYPHSX-DEOSSOPVSA-N 0 0 499.611 4.607 40 0 JJABRN Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c(C)c1 ZINC000408583747 570207334 /nfs/dbraw/zinc/20/73/34/570207334.db2.gz JONXPLMNBRIOJB-UHFFFAOYSA-N 0 0 450.988 4.504 40 0 JJABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1)c1ccccc1 ZINC000408583566 570207338 /nfs/dbraw/zinc/20/73/38/570207338.db2.gz IKTSCOPJRCGABS-GOSISDBHSA-N 0 0 479.042 4.987 40 0 JJABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 ZINC000408584699 570207683 /nfs/dbraw/zinc/20/76/83/570207683.db2.gz TZNUSRFXNXMHHY-JOCHJYFZSA-N 0 0 486.634 4.608 40 0 JJABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000408584719 570207688 /nfs/dbraw/zinc/20/76/88/570207688.db2.gz UDAVSFVTVKQIAF-UHFFFAOYSA-N 0 0 476.642 4.918 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408585369 570207915 /nfs/dbraw/zinc/20/79/15/570207915.db2.gz FRYBUYACDVSCIZ-QGZVFWFLSA-N 0 0 472.994 4.901 40 0 JJABRN CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408585506 570207952 /nfs/dbraw/zinc/20/79/52/570207952.db2.gz YSTQMCDFKFBPKB-QFIPXVFZSA-N 0 0 487.419 4.540 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000408585474 570207990 /nfs/dbraw/zinc/20/79/90/570207990.db2.gz FLLSWIBPVUVVAP-UHFFFAOYSA-N 0 0 456.539 4.594 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408585722 570208032 /nfs/dbraw/zinc/20/80/32/570208032.db2.gz ISPCERCTQANOGP-IBGZPJMESA-N 0 0 452.576 4.556 40 0 JJABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)Cc2ccccc2)cc1 ZINC000408585847 570208053 /nfs/dbraw/zinc/20/80/53/570208053.db2.gz JJNVMFLFTRPAFS-UHFFFAOYSA-N 0 0 466.603 4.957 40 0 JJABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1ccc(F)cc1 ZINC000408586188 570208073 /nfs/dbraw/zinc/20/80/73/570208073.db2.gz LUBRRMIECIYENY-UHFFFAOYSA-N 0 0 476.957 4.939 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408586321 570208139 /nfs/dbraw/zinc/20/81/39/570208139.db2.gz NKVIJRHFZZBUCK-UHFFFAOYSA-N 0 0 456.951 4.742 40 0 JJABRN COc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c(OC)cc1Cl ZINC000408586974 570208295 /nfs/dbraw/zinc/20/82/95/570208295.db2.gz APVGATSEDBQJTO-GOSISDBHSA-N 0 0 488.993 4.550 40 0 JJABRN COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)c1ccccc1C ZINC000408587299 570208335 /nfs/dbraw/zinc/20/83/35/570208335.db2.gz SZHQIUSAPZPUAV-IBGZPJMESA-N 0 0 452.576 4.556 40 0 JJABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)Nc1ccc(F)cc1F ZINC000408587566 570208385 /nfs/dbraw/zinc/20/83/85/570208385.db2.gz FAQXAYAQHHUCNS-UHFFFAOYSA-N 0 0 492.931 4.777 40 0 JJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000408589494 570208810 /nfs/dbraw/zinc/20/88/10/570208810.db2.gz FVSPDFKWPJQWDY-GFCCVEGCSA-N 0 0 464.868 4.537 40 0 JJABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000408589852 570208889 /nfs/dbraw/zinc/20/88/89/570208889.db2.gz GCVUBTVCYYCYIL-UHFFFAOYSA-N 0 0 490.931 4.797 40 0 JJABRN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(=O)NCC(C)C ZINC000408591713 570209333 /nfs/dbraw/zinc/20/93/33/570209333.db2.gz JZSGNOJLMPFJOI-UHFFFAOYSA-N 0 0 452.576 4.761 40 0 JJABRN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592306 570209468 /nfs/dbraw/zinc/20/94/68/570209468.db2.gz JXQYGUYOSJURQM-IERDGZPVSA-N 0 0 477.413 4.760 40 0 JJABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)cc1C ZINC000408592876 570209563 /nfs/dbraw/zinc/20/95/63/570209563.db2.gz MEWDEFMIWURHBD-AWEZNQCLSA-N 0 0 490.931 4.715 40 0 JJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2C)c(C)c1 ZINC000408593510 570209755 /nfs/dbraw/zinc/20/97/55/570209755.db2.gz ADENVADOEVDTPX-UHFFFAOYSA-N 0 0 475.412 4.813 40 0 JJABRN