smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)COc1c(I)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000000623291 551503205 /nfs/dbraw/zinc/50/32/05/551503205.db2.gz KUTZJNLAUMZCEW-LICLKQGHSA-N 0 0 537.306 3.595 50 0 KHAARN CCOC(=O)COc1c(I)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000000623293 551503176 /nfs/dbraw/zinc/50/31/76/551503176.db2.gz KUTZJNLAUMZCEW-YVLHZVERSA-N 0 0 537.306 3.595 50 0 KHAARN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(I)c1OCC(=O)OC ZINC000000623311 551503194 /nfs/dbraw/zinc/50/31/94/551503194.db2.gz XBNDFKUSHBNFQX-LICLKQGHSA-N 0 0 537.306 3.595 50 0 KHAARN CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc(I)c1OCC(=O)OC ZINC000000623312 193857261 /nfs/dbraw/zinc/85/72/61/193857261.db2.gz XBNDFKUSHBNFQX-YVLHZVERSA-N 0 0 537.306 3.595 50 0 KHAARN CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(I)c1OCC(=O)OC ZINC000000623338 551503219 /nfs/dbraw/zinc/50/32/19/551503219.db2.gz CRDJYMDFZPWJLD-MDWZMJQESA-N 0 0 513.309 3.648 50 0 KHAARN CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(I)c1OCC(=O)OC ZINC000000623339 551503223 /nfs/dbraw/zinc/50/32/23/551503223.db2.gz CRDJYMDFZPWJLD-JYRVWZFOSA-N 0 0 513.309 3.648 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000000627542 193858149 /nfs/dbraw/zinc/85/81/49/193858149.db2.gz RSFXNDGBQIKNHZ-OLROSQPISA-N 0 0 547.452 3.548 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000000627544 551503925 /nfs/dbraw/zinc/50/39/25/551503925.db2.gz RSFXNDGBQIKNHZ-ZMUHTPIZSA-N 0 0 547.452 3.548 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cccc(Br)c2)cc1 ZINC000000627977 551504044 /nfs/dbraw/zinc/50/40/44/551504044.db2.gz CZUVLUFUTOZBSJ-UHFFFAOYSA-N 0 0 566.499 3.987 50 0 KHAARN CCOc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000627987 551504257 /nfs/dbraw/zinc/50/42/57/551504257.db2.gz QSTHRRZNPONGED-UHFFFAOYSA-N 0 0 531.656 3.624 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2C)cc1 ZINC000000627997 551504216 /nfs/dbraw/zinc/50/42/16/551504216.db2.gz IGCUBJICDCFTEF-UHFFFAOYSA-N 0 0 515.657 3.842 50 0 KHAARN Cc1ccc(CN(c2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)S(C)(=O)=O)cc1 ZINC000000628068 551504239 /nfs/dbraw/zinc/50/42/39/551504239.db2.gz WNFHRAADIWIPAN-UHFFFAOYSA-N 0 0 501.630 3.609 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)cc2)cc1 ZINC000000628113 193858263 /nfs/dbraw/zinc/85/82/63/193858263.db2.gz WZYXAEVSRZIQAD-UHFFFAOYSA-N 0 0 538.047 3.578 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 ZINC000000628750 193858639 /nfs/dbraw/zinc/85/86/39/193858639.db2.gz DSULIKIIHMVIMM-UHFFFAOYSA-N 0 0 500.846 3.526 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000632651 193860120 /nfs/dbraw/zinc/86/01/20/193860120.db2.gz JSWLXPXWQVPLQF-WLGHQHAYSA-N 0 0 514.559 3.529 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000632655 551505646 /nfs/dbraw/zinc/50/56/46/551505646.db2.gz JSWLXPXWQVPLQF-NLZIUFDSSA-N 0 0 514.559 3.529 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000633837 193860533 /nfs/dbraw/zinc/86/05/33/193860533.db2.gz ARTDFJLGIIKEMD-LJJBLSSYSA-N 0 0 534.977 3.874 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000633841 551505621 /nfs/dbraw/zinc/50/56/21/551505621.db2.gz ARTDFJLGIIKEMD-CVGPFBNFSA-N 0 0 534.977 3.874 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)[nH]c3C)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000000634704 193860588 /nfs/dbraw/zinc/86/05/88/193860588.db2.gz UGPGYPGGESDJSW-PNZYDNNZSA-N 0 0 501.608 3.905 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)[nH]c3C)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000000634709 193860680 /nfs/dbraw/zinc/86/06/80/193860680.db2.gz UGPGYPGGESDJSW-CBYYHRJHSA-N 0 0 501.608 3.905 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000000637051 193861393 /nfs/dbraw/zinc/86/13/93/193861393.db2.gz YCPTWMQUIQCQCS-AQIZGWBQSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cccs1 ZINC000000637324 551506361 /nfs/dbraw/zinc/50/63/61/551506361.db2.gz KVZGZTGPRGHDQC-YVVITCHPSA-N 0 0 530.627 3.768 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cccs1 ZINC000000637328 551506334 /nfs/dbraw/zinc/50/63/34/551506334.db2.gz KVZGZTGPRGHDQC-GJISQHIDSA-N 0 0 530.627 3.768 50 0 KHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000639000 551506810 /nfs/dbraw/zinc/50/68/10/551506810.db2.gz IZFCVWXLQZFPSA-UHFFFAOYSA-N 0 0 503.930 4.000 50 0 KHAARN CCOC(=O)c1c(NC(=S)N2CCN(c3ccccc3)CC2)sc2c1CCN(C(=O)OCC)C2 ZINC000000642488 551507120 /nfs/dbraw/zinc/50/71/20/551507120.db2.gz RCXBNTZIJLCBFV-UHFFFAOYSA-N 0 0 502.662 3.958 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1 ZINC000000644072 551507359 /nfs/dbraw/zinc/50/73/59/551507359.db2.gz FKQXGAXBQYVZAO-UHFFFAOYSA-N 0 0 502.658 3.739 50 0 KHAARN CCOC(=O)c1c2cc(OC[C@H](O)CN3C(=O)CNC3=O)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000000644397 551507356 /nfs/dbraw/zinc/50/73/56/551507356.db2.gz IPURKXIGAIVUDO-OAHLLOKOSA-N 0 0 576.469 3.701 50 0 KHAARN CCOC(=O)c1c2cc(OC[C@@H](O)CN3C(=O)CNC3=O)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000000644398 551507355 /nfs/dbraw/zinc/50/73/55/551507355.db2.gz IPURKXIGAIVUDO-HNNXBMFYSA-N 0 0 576.469 3.701 50 0 KHAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000645205 551507353 /nfs/dbraw/zinc/50/73/53/551507353.db2.gz QGPRRPQLCPRMDU-UHFFFAOYSA-N 0 0 540.729 3.649 50 0 KHAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(I)cc2)cc(OC)c1OC ZINC000000645528 551507692 /nfs/dbraw/zinc/50/76/92/551507692.db2.gz DGPCMSAKYWQUDD-GOSISDBHSA-N 0 0 539.395 3.749 50 0 KHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(I)cc2)cc(OC)c1OC ZINC000000645529 193862869 /nfs/dbraw/zinc/86/28/69/193862869.db2.gz DGPCMSAKYWQUDD-SFHVURJKSA-N 0 0 539.395 3.749 50 0 KHAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(I)cc2)cc1OC ZINC000000645538 193862722 /nfs/dbraw/zinc/86/27/22/193862722.db2.gz NYMPMACQCMPILH-IBGZPJMESA-N 0 0 507.328 3.965 50 0 KHAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(I)cc2)cc1OC ZINC000000645539 551507658 /nfs/dbraw/zinc/50/76/58/551507658.db2.gz NYMPMACQCMPILH-LJQANCHMSA-N 0 0 507.328 3.965 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000000645916 193862828 /nfs/dbraw/zinc/86/28/28/193862828.db2.gz WTAUZFIVQZNMRB-UHFFFAOYSA-N 0 0 533.956 3.855 50 0 KHAARN CCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1 ZINC000000645953 551507701 /nfs/dbraw/zinc/50/77/01/551507701.db2.gz IHMXOOGYFPTLQD-UHFFFAOYSA-N 0 0 509.628 3.638 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000000645981 551507606 /nfs/dbraw/zinc/50/76/06/551507606.db2.gz JYKKTBURIYUSTG-UHFFFAOYSA-N 0 0 509.628 3.556 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000646013 551507650 /nfs/dbraw/zinc/50/76/50/551507650.db2.gz HEEKHHPKDIKBND-UHFFFAOYSA-N 0 0 594.111 3.594 50 0 KHAARN Cc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(-n2nc3ccccc3n2)c1 ZINC000000647339 193863771 /nfs/dbraw/zinc/86/37/71/193863771.db2.gz XDSPQIUQSKCYHB-UHFFFAOYSA-N 0 0 512.975 3.622 50 0 KHAARN Cc1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000647694 193864537 /nfs/dbraw/zinc/86/45/37/193864537.db2.gz NHDALFZUPDGZFQ-UHFFFAOYSA-N 0 0 511.003 3.972 50 0 KHAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)cc1 ZINC000000649331 551511042 /nfs/dbraw/zinc/51/10/42/551511042.db2.gz VHTNRPCUIYMTNV-UHFFFAOYSA-N 0 0 510.583 3.903 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000000650099 193867894 /nfs/dbraw/zinc/86/78/94/193867894.db2.gz ZBGQFYOBKZQBRX-OCEWKHMESA-N 0 0 527.650 3.716 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000000650101 551511905 /nfs/dbraw/zinc/51/19/05/551511905.db2.gz ZBGQFYOBKZQBRX-MKWGYRPRSA-N 0 0 527.650 3.716 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@H]2CCCO2)c(OC)c1 ZINC000000650511 193868305 /nfs/dbraw/zinc/86/83/05/193868305.db2.gz DXBZMJDCRVKIJF-LJQANCHMSA-N 0 0 501.584 3.956 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(I)cnn1C)C[C@@H](CC)CC2 ZINC000000650600 551512304 /nfs/dbraw/zinc/51/23/04/551512304.db2.gz PFWPUTMDCSMGLO-JTQLQIEISA-N 0 0 546.456 3.905 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(I)cnn1C)C[C@H](CC)CC2 ZINC000000650601 551512222 /nfs/dbraw/zinc/51/22/22/551512222.db2.gz PFWPUTMDCSMGLO-SNVBAGLBSA-N 0 0 546.456 3.905 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)c1C(=O)OCC ZINC000000651198 551512525 /nfs/dbraw/zinc/51/25/25/551512525.db2.gz LJJBDEJUJHJDNB-HXUWFJFHSA-N 0 0 509.950 3.663 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)c1C(=O)OCC ZINC000000651200 551512514 /nfs/dbraw/zinc/51/25/14/551512514.db2.gz LJJBDEJUJHJDNB-FQEVSTJZSA-N 0 0 509.950 3.663 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2)c1C(=O)OCC ZINC000000651264 193868836 /nfs/dbraw/zinc/86/88/36/193868836.db2.gz VFMAXEOFVOYTEU-HSZRJFAPSA-N 0 0 533.585 3.635 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2)c1C(=O)OCC ZINC000000651266 551512799 /nfs/dbraw/zinc/51/27/99/551512799.db2.gz VFMAXEOFVOYTEU-QHCPKHFHSA-N 0 0 533.585 3.635 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(OC)cc2)c1C(=O)OCC ZINC000000651291 551512731 /nfs/dbraw/zinc/51/27/31/551512731.db2.gz JTLIZJSOVKBDRU-OAQYLSRUSA-N 0 0 539.976 3.671 50 0 KHAARN CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(OC)cc2)c1C(=O)OCC ZINC000000651293 193869050 /nfs/dbraw/zinc/86/90/50/193869050.db2.gz JTLIZJSOVKBDRU-NRFANRHFSA-N 0 0 539.976 3.671 50 0 KHAARN CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000000651424 551512809 /nfs/dbraw/zinc/51/28/09/551512809.db2.gz PGAARGUUXBVQLH-GVMLUORFSA-N 0 0 527.650 3.716 50 0 KHAARN Cc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cnn1C ZINC000000651449 551512771 /nfs/dbraw/zinc/51/27/71/551512771.db2.gz FERIHNHMYQKFFG-FJWZAKCXSA-N 0 0 504.015 3.569 50 0 KHAARN Cc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cnn1C ZINC000000651453 193869355 /nfs/dbraw/zinc/86/93/55/193869355.db2.gz FERIHNHMYQKFFG-RQLGBQGVSA-N 0 0 504.015 3.569 50 0 KHAARN CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000000651503 551512805 /nfs/dbraw/zinc/51/28/05/551512805.db2.gz ZOZLEAOLXSYANB-FJWZAKCXSA-N 0 0 503.653 3.769 50 0 KHAARN CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000000651507 551512713 /nfs/dbraw/zinc/51/27/13/551512713.db2.gz ZOZLEAOLXSYANB-RQLGBQGVSA-N 0 0 503.653 3.769 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccccc1 ZINC000000651594 551512812 /nfs/dbraw/zinc/51/28/12/551512812.db2.gz BZKBQPSLCXJGDW-FBHQFGEZSA-N 0 0 504.999 3.556 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000000651599 551512828 /nfs/dbraw/zinc/51/28/28/551512828.db2.gz BZKBQPSLCXJGDW-PZHBDVNGSA-N 0 0 504.999 3.556 50 0 KHAARN Cc1nn(C)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000000653690 551513178 /nfs/dbraw/zinc/51/31/78/551513178.db2.gz HANXVFDKKPDYDJ-FJWZAKCXSA-N 0 0 504.015 3.569 50 0 KHAARN Cc1nn(C)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000000653694 551513200 /nfs/dbraw/zinc/51/32/00/551513200.db2.gz HANXVFDKKPDYDJ-RQLGBQGVSA-N 0 0 504.015 3.569 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000000656231 551514003 /nfs/dbraw/zinc/51/40/03/551514003.db2.gz BUVKOZXUSYEJTP-UHFFFAOYSA-N 0 0 513.538 3.510 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1Br ZINC000000656247 551514064 /nfs/dbraw/zinc/51/40/64/551514064.db2.gz MYOOJKHWUWNUJI-UHFFFAOYSA-N 0 0 504.406 3.673 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)cc2)cc1Br ZINC000000656603 551513977 /nfs/dbraw/zinc/51/39/77/551513977.db2.gz FTXSXJZEDMYIHP-UHFFFAOYSA-N 0 0 504.406 3.673 50 0 KHAARN CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000656641 551514015 /nfs/dbraw/zinc/51/40/15/551514015.db2.gz SKJOBHHVDPCHLD-UHFFFAOYSA-N 0 0 523.655 3.946 50 0 KHAARN COc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000656697 551513985 /nfs/dbraw/zinc/51/39/85/551513985.db2.gz KKMCXOLCZAMVCL-UHFFFAOYSA-N 0 0 520.611 3.635 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2Cl)cc1 ZINC000000656734 551514085 /nfs/dbraw/zinc/51/40/85/551514085.db2.gz MCITWCQIRXLESY-UHFFFAOYSA-N 0 0 564.085 3.503 50 0 KHAARN 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CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)C(=O)c1ccc(F)cc1 ZINC000000697742 551528627 /nfs/dbraw/zinc/52/86/27/551528627.db2.gz IRPDCJIQGXJXTR-UHFFFAOYSA-N 0 0 541.624 3.802 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)C(C)C)cc1 ZINC000000697782 551528653 /nfs/dbraw/zinc/52/86/53/551528653.db2.gz XGQNFUUFLFVJPK-UHFFFAOYSA-N 0 0 553.660 3.671 50 0 KHAARN Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)C(C)C)cc1 ZINC000000697887 551528659 /nfs/dbraw/zinc/52/86/59/551528659.db2.gz SQMDLCBUKNCQPK-UHFFFAOYSA-N 0 0 537.661 3.971 50 0 KHAARN Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cs2)C(C)C)cc1 ZINC000000697901 551528670 /nfs/dbraw/zinc/52/86/70/551528670.db2.gz KTDJMHSNZOQMQA-UHFFFAOYSA-N 0 0 577.707 3.556 50 0 KHAARN Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)NCc3ccc4c(c3)OCO4)cs2)C(C)C)cc1 ZINC000000697916 551528624 /nfs/dbraw/zinc/52/86/24/551528624.db2.gz NHJUTHCPPWPYPK-UHFFFAOYSA-N 0 0 508.600 3.528 50 0 KHAARN COc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)CN(C(=O)C3CCCCC3)C(C)C)n2)CC1 ZINC000000698119 551528621 /nfs/dbraw/zinc/52/86/21/551528621.db2.gz VPJYKBLWSCSRKX-UHFFFAOYSA-N 0 0 541.718 3.799 50 0 KHAARN COc1ccccc1N1CCN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccccc3)C(C)C)n2)CC1 ZINC000000699034 551528663 /nfs/dbraw/zinc/52/86/63/551528663.db2.gz IKOROPOIMSDTMM-UHFFFAOYSA-N 0 0 535.670 3.532 50 0 KHAARN CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)C(=O)c1ccccc1 ZINC000000699036 551528634 /nfs/dbraw/zinc/52/86/34/551528634.db2.gz JUCSFJIJVNXFRT-UHFFFAOYSA-N 0 0 523.634 3.663 50 0 KHAARN O=C(CN(C(=O)c1ccccc1)C1CC1)Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000000699370 551528995 /nfs/dbraw/zinc/52/89/95/551528995.db2.gz NRINDJKDJOMDKN-UHFFFAOYSA-N 0 0 538.073 3.931 50 0 KHAARN O=C(CN(C(=O)c1ccc(F)cc1)C1CC1)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1 ZINC000000699405 551528965 /nfs/dbraw/zinc/52/89/65/551528965.db2.gz UIJKFZZXRUDDTI-UHFFFAOYSA-N 0 0 539.608 3.556 50 0 KHAARN O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCn1c(=O)c2ccccc2c(=O)n1-c1ccccc1 ZINC000000704294 551531056 /nfs/dbraw/zinc/53/10/56/551531056.db2.gz MUKQGFZSAVZBGS-UHFFFAOYSA-N 0 0 516.557 3.709 50 0 KHAARN O=S(=O)(c1cccc2c1cccc2S(=O)(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000000705078 551531287 /nfs/dbraw/zinc/53/12/87/551531287.db2.gz YEDBALOBNVOEEK-UHFFFAOYSA-N 0 0 576.744 3.862 50 0 KHAARN O=C(Nc1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1 ZINC000000706289 551531337 /nfs/dbraw/zinc/53/13/37/551531337.db2.gz FUOUCWIIIBMJNH-UHFFFAOYSA-N 0 0 544.427 3.975 50 0 KHAARN O=C(CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)OCN1C(=O)c2ccccc2C1=O ZINC000000706600 551531289 /nfs/dbraw/zinc/53/12/89/551531289.db2.gz QVAFBXABJHHEDM-UHFFFAOYSA-N 0 0 509.547 3.917 50 0 KHAARN CCCS(=O)(=O)c1c2cnccn2c(C(=O)c2ccc(Br)cc2)c1S(=O)(=O)CCC ZINC000000707149 551531715 /nfs/dbraw/zinc/53/17/15/551531715.db2.gz DUXPBTICAKBYSO-UHFFFAOYSA-N 0 0 513.435 3.695 50 0 KHAARN 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CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCc3ccncc3)C2=S)cc1 ZINC000000709924 551532923 /nfs/dbraw/zinc/53/29/23/551532923.db2.gz WZZJCBMVZPCCLE-DEOSSOPVSA-N 0 0 532.622 3.841 50 0 KHAARN O=C(Nc1ccc(C(=O)Oc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000710956 551533424 /nfs/dbraw/zinc/53/34/24/551533424.db2.gz FUFJGTHGZBLLDB-UHFFFAOYSA-N 0 0 500.960 3.832 50 0 KHAARN COc1cccc(C(=O)Nc2cccc(OC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c2)c1 ZINC000000712064 551533336 /nfs/dbraw/zinc/53/33/36/551533336.db2.gz ZRYAWCOEZRLGCE-UHFFFAOYSA-N 0 0 530.986 3.841 50 0 KHAARN Cc1c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000712243 551533408 /nfs/dbraw/zinc/53/34/08/551533408.db2.gz UMXHYFZHJCOTGZ-UHFFFAOYSA-N 0 0 504.612 3.935 50 0 KHAARN COc1ccccc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000000713881 551533902 /nfs/dbraw/zinc/53/39/02/551533902.db2.gz LXDXAVNRVRJGOQ-UHFFFAOYSA-N 0 0 514.626 3.629 50 0 KHAARN Cc1c(Nc2nc3nonc3nc2Nc2ccc(I)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000714186 551533847 /nfs/dbraw/zinc/53/38/47/551533847.db2.gz DPDUOBPTOWVVLF-UHFFFAOYSA-N 0 0 540.325 3.902 50 0 KHAARN Cc1c(NC2=C(C(=O)c3ccccc3)N(CC#N)S(=O)(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000716106 551534253 /nfs/dbraw/zinc/53/42/53/551534253.db2.gz JWMKICJNUNBCEH-UHFFFAOYSA-N 0 0 525.590 3.676 50 0 KHAARN CCOc1ccc(CCn2c3nc4c(c(=O)n(C)c(=O)n4C)n3c(CC)c2-c2ccccc2)cc1OCC ZINC000000719715 551536364 /nfs/dbraw/zinc/53/63/64/551536364.db2.gz RWAOBSFBLQVFKE-UHFFFAOYSA-N 0 0 515.614 3.956 50 0 biogenic KHAARN CCOc1ccc(Cn2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000000719987 551536599 /nfs/dbraw/zinc/53/65/99/551536599.db2.gz WKOCLBCCHQDAEJ-UHFFFAOYSA-N 0 0 565.696 3.935 50 0 KHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2cccc(F)c2)cc1 ZINC000000720156 551536949 /nfs/dbraw/zinc/53/69/49/551536949.db2.gz IBRQSQHZMJYWDR-QFIPXVFZSA-N 0 0 506.559 3.506 50 0 KHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2cccc(F)c2)cc1 ZINC000000720157 551536917 /nfs/dbraw/zinc/53/69/17/551536917.db2.gz IBRQSQHZMJYWDR-JOCHJYFZSA-N 0 0 506.559 3.506 50 0 KHAARN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2NC(=O)c2cccc(F)c2)cc1 ZINC000000720288 551536905 /nfs/dbraw/zinc/53/69/05/551536905.db2.gz ZSBJQHAZZOXYNW-QFIPXVFZSA-N 0 0 522.558 3.519 50 0 KHAARN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2NC(=O)c2cccc(F)c2)cc1 ZINC000000720289 551536900 /nfs/dbraw/zinc/53/69/00/551536900.db2.gz ZSBJQHAZZOXYNW-JOCHJYFZSA-N 0 0 522.558 3.519 50 0 KHAARN Cn1c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000000720452 551537117 /nfs/dbraw/zinc/53/71/17/551537117.db2.gz QPRXEBRLQOLKKX-UHFFFAOYSA-N 0 0 553.950 3.765 50 0 KHAARN COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000000720818 551537153 /nfs/dbraw/zinc/53/71/53/551537153.db2.gz GTIUHKXZAKYLSN-QFIPXVFZSA-N 0 0 522.558 3.519 50 0 KHAARN COc1ccc(C(=O)NN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000000720819 551537203 /nfs/dbraw/zinc/53/72/03/551537203.db2.gz GTIUHKXZAKYLSN-JOCHJYFZSA-N 0 0 522.558 3.519 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3ccc(OC)cc3)C2=S)cc1 ZINC000000720824 551537151 /nfs/dbraw/zinc/53/71/51/551537151.db2.gz KDNLAPHWHADQEB-HSZRJFAPSA-N 0 0 564.595 3.687 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3ccc(OC)cc3)C2=S)cc1 ZINC000000720825 551537123 /nfs/dbraw/zinc/53/71/23/551537123.db2.gz KDNLAPHWHADQEB-QHCPKHFHSA-N 0 0 564.595 3.687 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2NC(=O)c2ccccc2F)cc1 ZINC000000720826 551537229 /nfs/dbraw/zinc/53/72/29/551537229.db2.gz QNZABMSXPMRZHC-QHCPKHFHSA-N 0 0 564.595 3.687 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cccc(F)c3)C2=S)cc1 ZINC000000720857 551537134 /nfs/dbraw/zinc/53/71/34/551537134.db2.gz HDYHZUSLUOZMAE-JOCHJYFZSA-N 0 0 552.559 3.817 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(NC(=O)c3cccc(F)c3)C2=S)cc1 ZINC000000720858 551537447 /nfs/dbraw/zinc/53/74/47/551537447.db2.gz HDYHZUSLUOZMAE-QFIPXVFZSA-N 0 0 552.559 3.817 50 0 KHAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 ZINC000000720872 551537399 /nfs/dbraw/zinc/53/73/99/551537399.db2.gz XLKJGWLSTZZMSK-QFIPXVFZSA-N 0 0 506.559 3.900 50 0 KHAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2NC(=O)c2ccccc2)c1 ZINC000000720873 551537453 /nfs/dbraw/zinc/53/74/53/551537453.db2.gz XLKJGWLSTZZMSK-JOCHJYFZSA-N 0 0 506.559 3.900 50 0 KHAARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)N(NC(=O)c2cncc(Br)c2)C1=S ZINC000000720876 551537433 /nfs/dbraw/zinc/53/74/33/551537433.db2.gz WRIQLJAUFGLOMJ-OAHLLOKOSA-N 0 0 545.246 3.642 50 0 KHAARN CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)N(NC(=O)c2cncc(Br)c2)C1=S ZINC000000720877 551537444 /nfs/dbraw/zinc/53/74/44/551537444.db2.gz WRIQLJAUFGLOMJ-HNNXBMFYSA-N 0 0 545.246 3.642 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(NC(=O)c3cccc(F)c3)C2=S)cc1 ZINC000000720878 551537450 /nfs/dbraw/zinc/53/74/50/551537450.db2.gz MZEGIVPTGMDJQW-HSZRJFAPSA-N 0 0 564.595 3.687 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(NC(=O)c3cccc(F)c3)C2=S)cc1 ZINC000000720879 551537421 /nfs/dbraw/zinc/53/74/21/551537421.db2.gz MZEGIVPTGMDJQW-QHCPKHFHSA-N 0 0 564.595 3.687 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2ccccc2)cc1 ZINC000000727530 551538456 /nfs/dbraw/zinc/53/84/56/551538456.db2.gz DPSRGDILRKEKRM-XSFVSMFZSA-N 0 0 500.374 3.506 50 0 KHAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(Br)cc2)n2cccc(N)c2c1S(=O)(=O)CCC ZINC000000728789 551539012 /nfs/dbraw/zinc/53/90/12/551539012.db2.gz WKYFQYDZCBXJCQ-UHFFFAOYSA-N 0 0 527.462 3.882 50 0 aggregator KHAARN CCCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)c2ccc(OC)cc2)c1S(=O)(=O)CCC ZINC000000728791 551538985 /nfs/dbraw/zinc/53/89/85/551538985.db2.gz DALAVRIUTPVQAR-UHFFFAOYSA-N 0 0 505.614 3.749 50 0 KHAARN O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000000729207 132223827 /nfs/dbraw/zinc/22/38/27/132223827.db2.gz RYKOVJQPPQESAN-GOSISDBHSA-N 0 0 529.300 3.764 50 0 KHAARN COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000000729280 551539027 /nfs/dbraw/zinc/53/90/27/551539027.db2.gz NXKFSAOMUHWMEY-DEDYPNTBSA-N 0 0 560.426 3.523 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c(nc2SCC(=O)N2CCN(c4ccccc4)CC2)CCS3)cc1 ZINC000000755469 551541670 /nfs/dbraw/zinc/54/16/70/551541670.db2.gz OONAZUHCVYHEMA-UHFFFAOYSA-N 0 0 508.669 3.720 50 0 KHAARN O=C(CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1)N1CCCC1 ZINC000000756714 551541731 /nfs/dbraw/zinc/54/17/31/551541731.db2.gz XPEIYXBCKJRCHV-UHFFFAOYSA-N 0 0 506.559 3.762 50 0 KHAARN Cc1ccc(S(=O)(=O)N(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N(C)C)n2)n2cnnc2)cc1 ZINC000000779832 551541943 /nfs/dbraw/zinc/54/19/43/551541943.db2.gz IDDGWFPDBSRUKB-UHFFFAOYSA-N 0 0 520.406 3.547 50 0 KHAARN CN(C)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000783179 1066855069 /nfs/dbraw/zinc/85/50/69/1066855069.db2.gz MOGVLTIVZHYUGH-UHFFFAOYSA-N 0 0 505.786 3.809 50 0 KHAARN Cc1c(NC(=O)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000786406 551542597 /nfs/dbraw/zinc/54/25/97/551542597.db2.gz YFGNJNSDSRBUNG-UHFFFAOYSA-N 0 0 536.592 3.787 50 0 KHAARN O=C(c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O ZINC000000797341 551543265 /nfs/dbraw/zinc/54/32/65/551543265.db2.gz HRKJDGKQNWUJSD-UHFFFAOYSA-N 0 0 504.454 3.930 50 0 KHAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000000811205 551543755 /nfs/dbraw/zinc/54/37/55/551543755.db2.gz GTJOJUDIMDLHON-OAHLLOKOSA-N 0 0 500.745 3.948 50 0 KHAARN CCOC(=O)[C@@H](Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000000820408 551544160 /nfs/dbraw/zinc/54/41/60/551544160.db2.gz DQYKTOCQVPMCRF-ARDUGYFRSA-N 0 0 525.561 3.573 50 0 biogenic KHAARN CCOC(=O)[C@H](Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000000820412 551544041 /nfs/dbraw/zinc/54/40/41/551544041.db2.gz DQYKTOCQVPMCRF-XCGQMGKMSA-N 0 0 525.561 3.573 50 0 biogenic KHAARN CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000822115 551544136 /nfs/dbraw/zinc/54/41/36/551544136.db2.gz VTSHHBVTDCNOCW-UHFFFAOYSA-N 0 0 500.598 3.787 50 0 KHAARN O=C(Nc1cccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1)c1ccccc1 ZINC000000826753 551544829 /nfs/dbraw/zinc/54/48/29/551544829.db2.gz QECIONRATSHGAD-UHFFFAOYSA-N 0 0 500.960 3.832 50 0 KHAARN Cc1nn(C[C@@H](O)COc2ccc(OC[C@H](O)Cn3nc(C)c(Br)c3C)cc2)c(C)c1Br ZINC000000827984 551545459 /nfs/dbraw/zinc/54/54/59/551545459.db2.gz BHMXWPKGUYHTGK-QZTJIDSGSA-N 0 0 572.298 3.718 50 0 KHAARN Cc1nn(C[C@H](O)COc2ccc(OC[C@@H](O)Cn3nc(C)c(Br)c3C)cc2)c(C)c1Br ZINC000000827985 551545474 /nfs/dbraw/zinc/54/54/74/551545474.db2.gz BHMXWPKGUYHTGK-ROUUACIJSA-N 0 0 572.298 3.718 50 0 KHAARN Cc1nn(C[C@@H](O)COc2ccc(OC[C@@H](O)Cn3nc(C)c(Br)c3C)cc2)c(C)c1Br ZINC000000827986 551545490 /nfs/dbraw/zinc/54/54/90/551545490.db2.gz BHMXWPKGUYHTGK-HDICACEKSA-N 0 0 572.298 3.718 50 0 KHAARN O=C1c2cc(S(=O)(=O)NCc3ccccc3)ccc2-c2ccc(S(=O)(=O)NCc3ccccc3)cc21 ZINC000000828403 551545769 /nfs/dbraw/zinc/54/57/69/551545769.db2.gz JQGNLZHVKHHOJY-UHFFFAOYSA-N 0 0 518.616 3.855 50 0 KHAARN Cn1c2nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O ZINC000000829825 551545789 /nfs/dbraw/zinc/54/57/89/551545789.db2.gz ZPKDSJSGGPHMTH-UHFFFAOYSA-N 0 0 519.808 3.863 50 0 KHAARN COc1ccccc1N1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ccccc4OC)CC3)c2)CC1 ZINC000000830010 551545796 /nfs/dbraw/zinc/54/57/96/551545796.db2.gz LICYPTOKHVLFLU-UHFFFAOYSA-N 0 0 514.626 3.629 50 0 KHAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000000831027 551546089 /nfs/dbraw/zinc/54/60/89/551546089.db2.gz NQSRRVDPIUHVKK-UHFFFAOYSA-N 0 0 504.244 3.995 50 0 KHAARN Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000832044 551546302 /nfs/dbraw/zinc/54/63/02/551546302.db2.gz QCGGTXCROYUJCL-UHFFFAOYSA-N 0 0 511.003 3.972 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000000832046 551546282 /nfs/dbraw/zinc/54/62/82/551546282.db2.gz XSMJZROHHUHUNA-UHFFFAOYSA-N 0 0 520.611 3.717 50 0 KHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000000832047 551546247 /nfs/dbraw/zinc/54/62/47/551546247.db2.gz KJZIDXSLJCYLSF-UHFFFAOYSA-N 0 0 541.029 3.980 50 0 KHAARN COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000832049 551546261 /nfs/dbraw/zinc/54/62/61/551546261.db2.gz MVOHGJTVUHBTIN-UHFFFAOYSA-N 0 0 520.611 3.635 50 0 KHAARN Cc1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000000832053 551546286 /nfs/dbraw/zinc/54/62/86/551546286.db2.gz UNAUZNBYCPOLHJ-UHFFFAOYSA-N 0 0 506.584 3.681 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000832133 551546318 /nfs/dbraw/zinc/54/63/18/551546318.db2.gz XFXWRUWCMDPYBS-UHFFFAOYSA-N 0 0 509.628 3.556 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cc(Cl)ccc2OC)cc1OC ZINC000000833263 551546619 /nfs/dbraw/zinc/54/66/19/551546619.db2.gz MOTQZDNDCHQBRB-UHFFFAOYSA-N 0 0 504.992 3.878 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000833284 551546637 /nfs/dbraw/zinc/54/66/37/551546637.db2.gz KVYYVJHAWRGFKT-UHFFFAOYSA-N 0 0 514.600 3.541 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000833289 551546578 /nfs/dbraw/zinc/54/65/78/551546578.db2.gz KPQFWPCWLXUZDD-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835608 551546819 /nfs/dbraw/zinc/54/68/19/551546819.db2.gz FEFMWZMNQUJADL-OAQYLSRUSA-N 0 0 554.477 3.696 50 0 KHAARN CC(C)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000835610 551546863 /nfs/dbraw/zinc/54/68/63/551546863.db2.gz WNKCUNOKKGIEMW-VWLOTQADSA-N 0 0 527.668 3.513 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836987 551547091 /nfs/dbraw/zinc/54/70/91/551547091.db2.gz MCDCWLCOKNAASC-GOSISDBHSA-N 0 0 520.822 3.903 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000000836989 551547072 /nfs/dbraw/zinc/54/70/72/551547072.db2.gz MCDCWLCOKNAASC-SFHVURJKSA-N 0 0 520.822 3.903 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(C)cc2)cc1OC ZINC000000839913 551547548 /nfs/dbraw/zinc/54/75/48/551547548.db2.gz HDZJRTJKZWCNLI-UHFFFAOYSA-N 0 0 509.628 3.556 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(C)cc2)cc1OC ZINC000000839935 551547539 /nfs/dbraw/zinc/54/75/39/551547539.db2.gz IWXUENMMZBLNFC-UHFFFAOYSA-N 0 0 550.637 3.644 50 0 KHAARN CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000840675 551547515 /nfs/dbraw/zinc/54/75/15/551547515.db2.gz BNRLSFNPDQPQKN-UHFFFAOYSA-N 0 0 504.406 3.755 50 0 KHAARN CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@@H](c3ccc5c(c3)OCO5)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000000845802 551548842 /nfs/dbraw/zinc/54/88/42/551548842.db2.gz HPQIWJDHYPHYBT-FQKMCRJQSA-N 0 0 586.622 3.964 50 0 KHAARN C=CS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000000847969 551549408 /nfs/dbraw/zinc/54/94/08/551549408.db2.gz VOJMFOMLSGHAIH-SFHVURJKSA-N 0 0 536.890 3.954 50 0 KHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000000850069 551549698 /nfs/dbraw/zinc/54/96/98/551549698.db2.gz OCKJPVIPBUZTDS-FQEVSTJZSA-N 0 0 502.596 3.617 50 0 KHAARN Cc1ccc(CSc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000000850070 551549745 /nfs/dbraw/zinc/54/97/45/551549745.db2.gz OCKJPVIPBUZTDS-HXUWFJFHSA-N 0 0 502.596 3.617 50 0 KHAARN CC1=C(C(=O)OC(C)(C)C)[C@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC(C)(C)C)=C(N)O1 ZINC000000850175 551549770 /nfs/dbraw/zinc/54/97/70/551549770.db2.gz YXEXZTPGVUXZIB-HSZRJFAPSA-N 0 0 507.381 3.797 50 0 KHAARN CC1=C(C(=O)OC(C)(C)C)[C@@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC(C)(C)C)=C(N)O1 ZINC000000850176 551549887 /nfs/dbraw/zinc/54/98/87/551549887.db2.gz YXEXZTPGVUXZIB-QHCPKHFHSA-N 0 0 507.381 3.797 50 0 KHAARN C=CS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(OC)c1 ZINC000000850597 551549763 /nfs/dbraw/zinc/54/97/63/551549763.db2.gz VOJMFOMLSGHAIH-GOSISDBHSA-N 0 0 536.890 3.954 50 0 KHAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000000854509 551550218 /nfs/dbraw/zinc/55/02/18/551550218.db2.gz VHBGPYGEXRFRNY-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN O=S(=O)(NNc1ccccc1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NNc3ccccc3)ccc1-2 ZINC000000856360 551550442 /nfs/dbraw/zinc/55/04/42/551550442.db2.gz HQLPXAAFNFWBJE-UHFFFAOYSA-N 0 0 506.609 3.869 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000000858016 551550780 /nfs/dbraw/zinc/55/07/80/551550780.db2.gz FAAVJWROIIWTSC-QUYTYNJFSA-N 0 0 561.454 3.951 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000000858018 551550774 /nfs/dbraw/zinc/55/07/74/551550774.db2.gz FAAVJWROIIWTSC-DUBROFONSA-N 0 0 561.454 3.951 50 0 KHAARN CCn1cc(C(=O)Nc2ncc(C)s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000000860026 551551014 /nfs/dbraw/zinc/55/10/14/551551014.db2.gz XQKAJWDAYQBADZ-UHFFFAOYSA-N 0 0 509.563 3.733 50 0 KHAARN CCn1cc(C(=O)Nc2nnc(C(C)C)s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000000860034 551551055 /nfs/dbraw/zinc/55/10/55/551551055.db2.gz CGBCITVLRVJZCJ-UHFFFAOYSA-N 0 0 538.605 3.943 50 0 KHAARN COc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc(Br)cc3)s2)cc1OC ZINC000000866171 551552733 /nfs/dbraw/zinc/55/27/33/551552733.db2.gz LQVFFBWNRGPTRA-UHFFFAOYSA-N 0 0 512.407 3.587 50 0 KHAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000000866593 551552941 /nfs/dbraw/zinc/55/29/41/551552941.db2.gz UCZMPUHDKWGKOI-UHFFFAOYSA-N 0 0 507.612 3.610 50 0 KHAARN Cc1c(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000872936 551554140 /nfs/dbraw/zinc/55/41/40/551554140.db2.gz JMGSBDXQZMZTIB-IBGZPJMESA-N 0 0 512.850 3.897 50 0 KHAARN Cc1c(NC(=S)N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000872937 551554144 /nfs/dbraw/zinc/55/41/44/551554144.db2.gz JMGSBDXQZMZTIB-LJQANCHMSA-N 0 0 512.850 3.897 50 0 KHAARN COc1ccc(C(=O)N[C@@H](NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(Cl)(Cl)Cl)cc1 ZINC000000872946 551554151 /nfs/dbraw/zinc/55/41/51/551554151.db2.gz WOLRTYKJTDWYGN-FQEVSTJZSA-N 0 0 542.876 3.906 50 0 KHAARN COc1ccc(C(=O)N[C@H](NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(Cl)(Cl)Cl)cc1 ZINC000000872947 551554176 /nfs/dbraw/zinc/55/41/76/551554176.db2.gz WOLRTYKJTDWYGN-HXUWFJFHSA-N 0 0 542.876 3.906 50 0 KHAARN Cc1c(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000872962 551554154 /nfs/dbraw/zinc/55/41/54/551554154.db2.gz AJKYPQZLHLAYRK-FQEVSTJZSA-N 0 0 526.877 3.826 50 0 KHAARN Cc1c(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000872963 551554167 /nfs/dbraw/zinc/55/41/67/551554167.db2.gz AJKYPQZLHLAYRK-HXUWFJFHSA-N 0 0 526.877 3.826 50 0 KHAARN CC(=O)OCCN1C(=O)c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(CCOC(C)=O)C5=O)c3)cc2C1=O ZINC000000873025 551554163 /nfs/dbraw/zinc/55/41/63/551554163.db2.gz NVNDYVGPZWTFGU-UHFFFAOYSA-N 0 0 572.526 3.589 50 0 KHAARN O=C(c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O ZINC000000894459 551563678 /nfs/dbraw/zinc/56/36/78/551563678.db2.gz XBQNMAKBEXRDHJ-UHFFFAOYSA-N 0 0 504.454 3.930 50 0 KHAARN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000931980 551584896 /nfs/dbraw/zinc/58/48/96/551584896.db2.gz QIVIQHPTJOGABK-LJAQVGFWSA-N 0 0 520.593 3.921 50 0 KHAARN COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000000931981 551584859 /nfs/dbraw/zinc/58/48/59/551584859.db2.gz QIVIQHPTJOGABK-GDLZYMKVSA-N 0 0 520.593 3.921 50 0 KHAARN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000000933221 551585493 /nfs/dbraw/zinc/58/54/93/551585493.db2.gz BIKCOAYAINIYAN-XMSQKQJNSA-N 0 0 510.678 3.724 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000000933256 551585524 /nfs/dbraw/zinc/58/55/24/551585524.db2.gz MDPDEHPDNBYCLQ-HXUWFJFHSA-N 0 0 501.070 3.740 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000000933258 551585523 /nfs/dbraw/zinc/58/55/23/551585523.db2.gz MDPDEHPDNBYCLQ-FQEVSTJZSA-N 0 0 501.070 3.740 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccc(OC)c2OC)cc1 ZINC000000933270 551585516 /nfs/dbraw/zinc/58/55/16/551585516.db2.gz MHYQUAGUVBNHKA-UHFFFAOYSA-N 0 0 522.645 3.718 50 0 KHAARN CCOc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000933648 551585981 /nfs/dbraw/zinc/58/59/81/551585981.db2.gz BFCKMXAFYCLOOQ-UHFFFAOYSA-N 0 0 504.630 3.854 50 0 KHAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000000933674 551585967 /nfs/dbraw/zinc/58/59/67/551585967.db2.gz MEDBFUTVVAJIMQ-OAQYLSRUSA-N 0 0 513.081 3.885 50 0 KHAARN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000000933676 551585963 /nfs/dbraw/zinc/58/59/63/551585963.db2.gz MEDBFUTVVAJIMQ-NRFANRHFSA-N 0 0 513.081 3.885 50 0 KHAARN CCOc1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000933681 551585998 /nfs/dbraw/zinc/58/59/98/551585998.db2.gz YWRCNTORMWCFRZ-HSZRJFAPSA-N 0 0 522.689 3.630 50 0 KHAARN CCOc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000000933683 551586003 /nfs/dbraw/zinc/58/60/03/551586003.db2.gz YWRCNTORMWCFRZ-QHCPKHFHSA-N 0 0 522.689 3.630 50 0 KHAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000000933748 551586062 /nfs/dbraw/zinc/58/60/62/551586062.db2.gz ZWUSXKZOSVHUHO-JOCHJYFZSA-N 0 0 518.632 3.674 50 0 KHAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2F)cc1 ZINC000000933750 551586042 /nfs/dbraw/zinc/58/60/42/551586042.db2.gz ZWUSXKZOSVHUHO-QFIPXVFZSA-N 0 0 518.632 3.674 50 0 KHAARN CCOc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000000934017 551586482 /nfs/dbraw/zinc/58/64/82/551586482.db2.gz CFWIQCGPALNNAA-UHFFFAOYSA-N 0 0 500.642 3.917 50 0 KHAARN COc1cccc(CN(C2CC2)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1OC ZINC000000934020 551586446 /nfs/dbraw/zinc/58/64/46/551586446.db2.gz RBWCAFQSCFZWPQ-UHFFFAOYSA-N 0 0 516.641 3.536 50 0 KHAARN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 ZINC000000941753 551587864 /nfs/dbraw/zinc/58/78/64/551587864.db2.gz YFHIISDPZXWIEL-NRFANRHFSA-N 0 0 507.340 3.838 50 0 KHAARN O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1 ZINC000000941754 551587896 /nfs/dbraw/zinc/58/78/96/551587896.db2.gz YFHIISDPZXWIEL-OAQYLSRUSA-N 0 0 507.340 3.838 50 0 KHAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1[C@H](C(=O)OC)CC2 ZINC000000944149 551588211 /nfs/dbraw/zinc/58/82/11/551588211.db2.gz OYXUWGYYXBEBBP-SECBINFHSA-N 0 0 528.377 3.778 50 0 KHAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000000946528 551588441 /nfs/dbraw/zinc/58/84/41/551588441.db2.gz LHFYRGWAOVJSKV-UEXGIBASSA-N 0 0 518.941 3.877 50 0 KHAARN COc1cc2c(cc1OC)CN(C(=O)[C@H]1Cc3ccccc3CN1S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000000949163 551588461 /nfs/dbraw/zinc/58/84/61/551588461.db2.gz FHYVEDHMLAGFGI-XMMPIXPASA-N 0 0 510.587 3.543 50 0 KHAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H]1Cc3ccccc3CN1S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000000949164 551588434 /nfs/dbraw/zinc/58/84/34/551588434.db2.gz FHYVEDHMLAGFGI-DEOSSOPVSA-N 0 0 510.587 3.543 50 0 KHAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(Br)cc2)cc1 ZINC000000949180 551588396 /nfs/dbraw/zinc/58/83/96/551588396.db2.gz NZVVSRXDHPPKDW-QHCPKHFHSA-N 0 0 515.429 3.890 50 0 KHAARN 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ZINC000001133040 551616325 /nfs/dbraw/zinc/61/63/25/551616325.db2.gz WXHIVVZZPCXDJQ-SFHVURJKSA-N 0 0 503.386 3.543 50 0 KHAARN Cn1c2ncn(C[C@H](COCc3ccccc3Cl)OCc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000001133043 551616274 /nfs/dbraw/zinc/61/62/74/551616274.db2.gz WXHIVVZZPCXDJQ-GOSISDBHSA-N 0 0 503.386 3.543 50 0 KHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 ZINC000001133227 551616352 /nfs/dbraw/zinc/61/63/52/551616352.db2.gz UTVOXBFEVQSTLR-UHFFFAOYSA-N 0 0 502.523 3.818 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000001134512 551616327 /nfs/dbraw/zinc/61/63/27/551616327.db2.gz DSOHPIITRYWGGW-SFHVURJKSA-N 0 0 511.600 3.600 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000001134513 551616242 /nfs/dbraw/zinc/61/62/42/551616242.db2.gz DSOHPIITRYWGGW-GOSISDBHSA-N 0 0 511.600 3.600 50 0 KHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O ZINC000001139437 551616572 /nfs/dbraw/zinc/61/65/72/551616572.db2.gz RHUBEFZGLRKOMG-UHFFFAOYSA-N 0 0 508.765 3.666 50 0 KHAARN CN(c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000001139846 551616563 /nfs/dbraw/zinc/61/65/63/551616563.db2.gz HEKWPLMVDUAZKC-UHFFFAOYSA-N 0 0 541.573 3.935 50 0 KHAARN CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc5c(c4)OCO5)CC3=O)cc2)cc1 ZINC000001139950 551616915 /nfs/dbraw/zinc/61/69/15/551616915.db2.gz MYTAANOTELCROK-NRFANRHFSA-N 0 0 515.566 3.665 50 0 KHAARN CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc5c(c4)OCO5)CC3=O)cc2)cc1 ZINC000001139952 551616901 /nfs/dbraw/zinc/61/69/01/551616901.db2.gz MYTAANOTELCROK-OAQYLSRUSA-N 0 0 515.566 3.665 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000001140068 551616952 /nfs/dbraw/zinc/61/69/52/551616952.db2.gz PRVXWSYUVPCRLK-UHFFFAOYSA-N 0 0 516.019 3.726 50 0 KHAARN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001140415 551616856 /nfs/dbraw/zinc/61/68/56/551616856.db2.gz OPKORJOHHFQJSJ-UHFFFAOYSA-N 0 0 512.584 3.941 50 0 KHAARN CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3ccc(OC)c(OC)c3OC)C(C(=O)OC)=C2)cc1 ZINC000001140855 551617121 /nfs/dbraw/zinc/61/71/21/551617121.db2.gz WSBXQSSUKAYNEQ-UHFFFAOYSA-N 0 0 511.527 3.607 50 0 KHAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000001141371 551617106 /nfs/dbraw/zinc/61/71/06/551617106.db2.gz JHGWNPVJICDLMO-HXUWFJFHSA-N 0 0 509.506 3.697 50 0 KHAARN COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000001141372 551617143 /nfs/dbraw/zinc/61/71/43/551617143.db2.gz JHGWNPVJICDLMO-FQEVSTJZSA-N 0 0 509.506 3.697 50 0 KHAARN COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000001141460 551617144 /nfs/dbraw/zinc/61/71/44/551617144.db2.gz PMIGEGPHBJOGMS-UHFFFAOYSA-N 0 0 552.074 3.887 50 0 KHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)S(C)(=O)=O ZINC000001141508 551617098 /nfs/dbraw/zinc/61/70/98/551617098.db2.gz XLGFHUAQORMMAX-UHFFFAOYSA-N 0 0 516.019 3.726 50 0 KHAARN Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1 ZINC000001141559 551617372 /nfs/dbraw/zinc/61/73/72/551617372.db2.gz QDEVMWIAPCNVTO-UHFFFAOYSA-N 0 0 522.048 3.878 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001141777 551617412 /nfs/dbraw/zinc/61/74/12/551617412.db2.gz BMCSPJQDRBHJII-UHFFFAOYSA-N 0 0 531.656 3.624 50 0 KHAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)S(C)(=O)=O)cc1C ZINC000001141790 551617416 /nfs/dbraw/zinc/61/74/16/551617416.db2.gz NWDOZDZDAYMDPD-UHFFFAOYSA-N 0 0 515.657 3.918 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000001141795 551617411 /nfs/dbraw/zinc/61/74/11/551617411.db2.gz KDWYAXRPOKLRPP-GOSISDBHSA-N 0 0 511.600 3.600 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000001141796 551617406 /nfs/dbraw/zinc/61/74/06/551617406.db2.gz KDWYAXRPOKLRPP-SFHVURJKSA-N 0 0 511.600 3.600 50 0 KHAARN O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001141841 551617409 /nfs/dbraw/zinc/61/74/09/551617409.db2.gz CKKACLSWCOABOJ-UHFFFAOYSA-N 0 0 525.608 3.641 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001141921 551617393 /nfs/dbraw/zinc/61/73/93/551617393.db2.gz WZKHMPVXEHQTHS-UHFFFAOYSA-N 0 0 516.547 3.854 50 0 KHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(I)cc1 ZINC000001141941 551617382 /nfs/dbraw/zinc/61/73/82/551617382.db2.gz GIQGUQHRDVVQSE-UHFFFAOYSA-N 0 0 577.444 3.668 50 0 KHAARN CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)c(C)c1 ZINC000001143462 551617609 /nfs/dbraw/zinc/61/76/09/551617609.db2.gz QPGZXHWWSVUVPF-UHFFFAOYSA-N 0 0 532.464 3.967 50 0 KHAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)n2C)cc1 ZINC000001143589 551617653 /nfs/dbraw/zinc/61/76/53/551617653.db2.gz FZBGLUMGXKAPHR-UHFFFAOYSA-N 0 0 532.464 3.793 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Cl)cc2)cc1 ZINC000001143844 551617916 /nfs/dbraw/zinc/61/79/16/551617916.db2.gz HNOFLXIJMKFOGZ-UHFFFAOYSA-N 0 0 522.048 3.878 50 0 KHAARN COC(=O)c1c(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000001143918 551617920 /nfs/dbraw/zinc/61/79/20/551617920.db2.gz XAAYZGHJTIUHHO-UHFFFAOYSA-N 0 0 501.424 3.581 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)cc(C)c2)cc1 ZINC000001144016 551617982 /nfs/dbraw/zinc/61/79/82/551617982.db2.gz MOZYUHJBRNBKLD-UHFFFAOYSA-N 0 0 515.657 3.842 50 0 KHAARN COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001144070 551618011 /nfs/dbraw/zinc/61/80/11/551618011.db2.gz GAXTWZCLVCAEDH-UHFFFAOYSA-N 0 0 552.074 3.887 50 0 KHAARN COc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001144353 551617926 /nfs/dbraw/zinc/61/79/26/551617926.db2.gz YRIQLJXXRFBYLO-UHFFFAOYSA-N 0 0 503.418 3.965 50 0 KHAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)n2C)cc1 ZINC000001144659 551617947 /nfs/dbraw/zinc/61/79/47/551617947.db2.gz YAGGWWHAGIDOEZ-UHFFFAOYSA-N 0 0 538.855 3.829 50 0 KHAARN CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000001144785 551617933 /nfs/dbraw/zinc/61/79/33/551617933.db2.gz ZSISHHZBYGXLPD-UHFFFAOYSA-N 0 0 508.021 3.570 50 0 KHAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1 ZINC000001144880 551618149 /nfs/dbraw/zinc/61/81/49/551618149.db2.gz DXKVKAXUOHNFPD-UHFFFAOYSA-N 0 0 522.048 3.878 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)cc(C)c2)cc1OC ZINC000001145392 551618181 /nfs/dbraw/zinc/61/81/81/551618181.db2.gz IDWRSGXTSRXFDE-UHFFFAOYSA-N 0 0 561.682 3.550 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2)cc1Br ZINC000001145424 551618098 /nfs/dbraw/zinc/61/80/98/551618098.db2.gz XEGGVRXXHWRRFS-UHFFFAOYSA-N 0 0 596.525 3.996 50 0 KHAARN CN(c1cccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1)S(C)(=O)=O ZINC000001145452 551618131 /nfs/dbraw/zinc/61/81/31/551618131.db2.gz HETQXLDMNNNTAC-UHFFFAOYSA-N 0 0 522.048 3.954 50 0 KHAARN CN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O ZINC000001145617 551618209 /nfs/dbraw/zinc/61/82/09/551618209.db2.gz QQWWDGKPTWLIOI-UHFFFAOYSA-N 0 0 508.021 3.570 50 0 KHAARN COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000001145709 551618178 /nfs/dbraw/zinc/61/81/78/551618178.db2.gz BVFGDXBJJCLAEV-UHFFFAOYSA-N 0 0 504.536 3.694 50 0 KHAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000001146919 551618534 /nfs/dbraw/zinc/61/85/34/551618534.db2.gz NUFFDDXMLHOTPJ-UHFFFAOYSA-N 0 0 533.697 3.947 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2C)cc1 ZINC000001146963 551618779 /nfs/dbraw/zinc/61/87/79/551618779.db2.gz RDHHJCXMKHDIGN-UHFFFAOYSA-N 0 0 501.630 3.533 50 0 KHAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1Br ZINC000001147842 551618802 /nfs/dbraw/zinc/61/88/02/551618802.db2.gz IGLBJWVLMGVQIN-UHFFFAOYSA-N 0 0 530.444 3.826 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 ZINC000001148070 551618845 /nfs/dbraw/zinc/61/88/45/551618845.db2.gz YPYAXXXFHBRSJA-UHFFFAOYSA-N 0 0 500.846 3.526 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2[C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 ZINC000001148313 551618776 /nfs/dbraw/zinc/61/87/76/551618776.db2.gz VFLONKGJITYOBZ-NRFANRHFSA-N 0 0 562.442 3.609 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2[C@H]2NC(=S)N=C(C)C2C(=O)OC)cc1 ZINC000001148316 551618721 /nfs/dbraw/zinc/61/87/21/551618721.db2.gz VFLONKGJITYOBZ-OAQYLSRUSA-N 0 0 562.442 3.609 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(Br)cc2)cc1 ZINC000001148352 551618850 /nfs/dbraw/zinc/61/88/50/551618850.db2.gz YRRDABXKLOAGMJ-UHFFFAOYSA-N 0 0 566.499 3.987 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000001148445 551618841 /nfs/dbraw/zinc/61/88/41/551618841.db2.gz DLKQNJQIKZUTFS-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN COc1ccc(C)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001148704 551619008 /nfs/dbraw/zinc/61/90/08/551619008.db2.gz YPHXPUPDTOARSQ-UHFFFAOYSA-N 0 0 531.656 3.542 50 0 KHAARN C[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000001148718 551619066 /nfs/dbraw/zinc/61/90/66/551619066.db2.gz ZEDPGEZUYHDTIO-GOSISDBHSA-N 0 0 517.629 3.668 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000001149114 551619099 /nfs/dbraw/zinc/61/90/99/551619099.db2.gz PEPNXIBHOVDSTC-UHFFFAOYSA-N 0 0 524.020 3.554 50 0 KHAARN COc1ccc2nc(S[C@H]3CC(=O)N(c4ccccc4I)C3=O)nc(C)c2c1 ZINC000001155333 551619379 /nfs/dbraw/zinc/61/93/79/551619379.db2.gz FJJVZEVTHQTKBJ-KRWDZBQOSA-N 0 0 505.337 3.976 50 0 KHAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)c(OCc2ccccc2)c(OC)c1 ZINC000001159201 551619932 /nfs/dbraw/zinc/61/99/32/551619932.db2.gz JZFQSKZSICRPRF-GOSISDBHSA-N 0 0 508.312 3.680 50 0 KHAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)c(OCc2ccccc2)c(OC)c1 ZINC000001159202 551619819 /nfs/dbraw/zinc/61/98/19/551619819.db2.gz JZFQSKZSICRPRF-SFHVURJKSA-N 0 0 508.312 3.680 50 0 KHAARN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000001169812 551620189 /nfs/dbraw/zinc/62/01/89/551620189.db2.gz ACOMSGNEHWZQTM-UHFFFAOYSA-N 0 0 564.085 3.579 50 0 KHAARN COc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000001173761 551620463 /nfs/dbraw/zinc/62/04/63/551620463.db2.gz OBZUUYVLZIJLGA-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001173789 551620406 /nfs/dbraw/zinc/62/04/06/551620406.db2.gz WTDGCMQMXCPUER-UHFFFAOYSA-N 0 0 513.572 3.505 50 0 KHAARN CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000001174329 551620426 /nfs/dbraw/zinc/62/04/26/551620426.db2.gz QYBNPUHCGFFZDG-UHFFFAOYSA-N 0 0 513.641 3.939 50 0 KHAARN Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3c2=O)c(C)c1 ZINC000001175290 551620719 /nfs/dbraw/zinc/62/07/19/551620719.db2.gz ZJNBLHXNDTZDIJ-UHFFFAOYSA-N 0 0 504.612 3.878 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)c1 ZINC000001176110 551620661 /nfs/dbraw/zinc/62/06/61/551620661.db2.gz FTNZABIIWDTBEA-ZGOFBEGVSA-N 0 0 571.655 3.908 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n32)c1 ZINC000001176112 551620760 /nfs/dbraw/zinc/62/07/60/551620760.db2.gz FTNZABIIWDTBEA-BIWBSIMWSA-N 0 0 571.655 3.908 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000001187463 551621459 /nfs/dbraw/zinc/62/14/59/551621459.db2.gz YMAXUHFJORDAQI-PNZYDNNZSA-N 0 0 517.607 3.605 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001187470 551621433 /nfs/dbraw/zinc/62/14/33/551621433.db2.gz YMAXUHFJORDAQI-CBYYHRJHSA-N 0 0 517.607 3.605 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000001187664 551621437 /nfs/dbraw/zinc/62/14/37/551621437.db2.gz FRPQUUYXULHXTP-IBYCJETLSA-N 0 0 530.602 3.674 50 0 KHAARN COC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001189237 551621674 /nfs/dbraw/zinc/62/16/74/551621674.db2.gz VHNBKSDDYIGZGF-UHFFFAOYSA-N 0 0 512.584 3.941 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)c1 ZINC000001191310 1066879761 /nfs/dbraw/zinc/87/97/61/1066879761.db2.gz SVMOSFMYAUQLJB-KDSDTBODSA-N 0 0 511.603 3.891 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)c1 ZINC000001191314 1066879627 /nfs/dbraw/zinc/87/96/27/1066879627.db2.gz SVMOSFMYAUQLJB-FCYPAOMHSA-N 0 0 511.603 3.891 50 0 KHAARN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000001193975 551622114 /nfs/dbraw/zinc/62/21/14/551622114.db2.gz GXSXVVGAZGUZFG-UHFFFAOYSA-N 0 0 549.001 3.986 50 0 KHAARN CCCS(=O)(=O)c1c2ccc(C(C)=O)cn2c(C(=O)c2ccc(OC)c(OC)c2)c1S(=O)(=O)CCC ZINC000001195441 551622444 /nfs/dbraw/zinc/62/24/44/551622444.db2.gz UZHBTROFMUDBHF-UHFFFAOYSA-N 0 0 535.640 3.758 50 0 KHAARN Cc1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001198715 551623012 /nfs/dbraw/zinc/62/30/12/551623012.db2.gz IXJFECLTCDQIGJ-UHFFFAOYSA-N 0 0 508.575 3.766 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1 ZINC000001204371 551624208 /nfs/dbraw/zinc/62/42/08/551624208.db2.gz KSUDXVDWCSSSHE-ZZODWALSSA-N 0 0 517.401 3.551 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Br)o4)c(=O)n32)cc1 ZINC000001204373 551624185 /nfs/dbraw/zinc/62/41/85/551624185.db2.gz KSUDXVDWCSSSHE-OWMRDYPQSA-N 0 0 517.401 3.551 50 0 KHAARN COc1ccc(OC)c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001204488 551624150 /nfs/dbraw/zinc/62/41/50/551624150.db2.gz AHIUPFNEFIVMFW-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000001205438 551624468 /nfs/dbraw/zinc/62/44/68/551624468.db2.gz VUHXNDYZAKXLMS-FUJWGRRUSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000001205440 551624420 /nfs/dbraw/zinc/62/44/20/551624420.db2.gz VUHXNDYZAKXLMS-BFHGZXLWSA-N 0 0 549.468 3.640 50 0 KHAARN COc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001206713 551624825 /nfs/dbraw/zinc/62/48/25/551624825.db2.gz PPPXOMXCGOVFIN-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001206906 551624820 /nfs/dbraw/zinc/62/48/20/551624820.db2.gz MGZWBYPTDQPVSY-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000001212235 551625319 /nfs/dbraw/zinc/62/53/19/551625319.db2.gz PRJFWJDJTYZWHK-BXBOZWQASA-N 0 0 507.793 3.807 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000001212239 551625408 /nfs/dbraw/zinc/62/54/08/551625408.db2.gz PRJFWJDJTYZWHK-QWSHFYNQSA-N 0 0 507.793 3.807 50 0 KHAARN Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C)n4)C5=O)cc3C2=O)n1 ZINC000001216674 551626858 /nfs/dbraw/zinc/62/68/58/551626858.db2.gz XOIWUPKVHNMLOG-UHFFFAOYSA-N 0 0 502.486 3.926 50 0 KHAARN Cc1ccnc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cc(C)ccn4)C5=O)cc3C2=O)c1 ZINC000001218919 551627418 /nfs/dbraw/zinc/62/74/18/551627418.db2.gz OYFCPFZORURUPE-UHFFFAOYSA-N 0 0 502.486 3.926 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000001219435 551627439 /nfs/dbraw/zinc/62/74/39/551627439.db2.gz PPTPPSYPEVNVBA-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001220764 551627570 /nfs/dbraw/zinc/62/75/70/551627570.db2.gz SHXILUHYSZNEGO-UHFFFAOYSA-N 0 0 513.572 3.505 50 0 KHAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000001221357 1066855008 /nfs/dbraw/zinc/85/50/08/1066855008.db2.gz UNAABWJFYVXQIU-UHFFFAOYSA-N 0 0 552.310 3.524 50 0 KHAARN NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000001232882 551629450 /nfs/dbraw/zinc/62/94/50/551629450.db2.gz FMFJXSOLIQFTSJ-AWEZNQCLSA-N 0 0 501.617 3.635 50 0 KHAARN NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000001232883 551629464 /nfs/dbraw/zinc/62/94/64/551629464.db2.gz FMFJXSOLIQFTSJ-CQSZACIVSA-N 0 0 501.617 3.635 50 0 KHAARN Cc1c(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000001233953 551629812 /nfs/dbraw/zinc/62/98/12/551629812.db2.gz PILUXIJYFKKUDT-PDGQHHTCSA-N 0 0 527.400 3.922 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC ZINC000001236510 551630016 /nfs/dbraw/zinc/63/00/16/551630016.db2.gz KKJMJXIZJWNWMG-QNGOZBTKSA-N 0 0 522.583 3.567 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)CCCC4)c1 ZINC000001239233 551630330 /nfs/dbraw/zinc/63/03/30/551630330.db2.gz XTWHPPYQCVYUIA-INIZCTEOSA-N 0 0 509.657 3.622 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)CCCC4)c1 ZINC000001239234 551630338 /nfs/dbraw/zinc/63/03/38/551630338.db2.gz XTWHPPYQCVYUIA-MRXNPFEDSA-N 0 0 509.657 3.622 50 0 KHAARN CC(C)[C@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000001239977 551630590 /nfs/dbraw/zinc/63/05/90/551630590.db2.gz UOFDCGQSHZZYST-FXAWDEMLSA-N 0 0 513.685 3.943 50 0 KHAARN CC(C)[C@@H]1Cc2c(sc3nc(S[C@@H](C)C(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000001239978 551630678 /nfs/dbraw/zinc/63/06/78/551630678.db2.gz UOFDCGQSHZZYST-PXNSSMCTSA-N 0 0 513.685 3.943 50 0 KHAARN CC(C)[C@H]1Cc2c(sc3nc(S[C@H](C)C(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000001239979 551630629 /nfs/dbraw/zinc/63/06/29/551630629.db2.gz UOFDCGQSHZZYST-YLJYHZDGSA-N 0 0 513.685 3.943 50 0 KHAARN CC(C)[C@@H]1Cc2c(sc3nc(S[C@H](C)C(=O)N4CCOCC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000001239980 551630604 /nfs/dbraw/zinc/63/06/04/551630604.db2.gz UOFDCGQSHZZYST-XLIONFOSSA-N 0 0 513.685 3.943 50 0 KHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N1 ZINC000001240006 551630569 /nfs/dbraw/zinc/63/05/69/551630569.db2.gz WFFRYVYJLVFLHK-CBYYHRJHSA-N 0 0 513.550 3.742 50 0 KHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc4c(c3)OCO4)sc2=N1 ZINC000001240008 551630668 /nfs/dbraw/zinc/63/06/68/551630668.db2.gz WFFRYVYJLVFLHK-PNZYDNNZSA-N 0 0 513.550 3.742 50 0 KHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242598 551630881 /nfs/dbraw/zinc/63/08/81/551630881.db2.gz VOLWCVWAWZLVHW-RUZDIDTESA-N 0 0 552.587 3.797 50 0 KHAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001242600 551630986 /nfs/dbraw/zinc/63/09/86/551630986.db2.gz VOLWCVWAWZLVHW-VWLOTQADSA-N 0 0 552.587 3.797 50 0 KHAARN CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@@H](C)C(=O)N4CCOCC4)n32)CO1 ZINC000001248832 551631922 /nfs/dbraw/zinc/63/19/22/551631922.db2.gz MQCRPFBBKCVLQF-FXAWDEMLSA-N 0 0 553.710 3.591 50 0 KHAARN CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@@H](C)C(=O)N4CCOCC4)n32)CO1 ZINC000001248833 551632022 /nfs/dbraw/zinc/63/20/22/551632022.db2.gz MQCRPFBBKCVLQF-PXNSSMCTSA-N 0 0 553.710 3.591 50 0 KHAARN CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@H](C)C(=O)N4CCOCC4)n32)CO1 ZINC000001248834 551632019 /nfs/dbraw/zinc/63/20/19/551632019.db2.gz MQCRPFBBKCVLQF-YLJYHZDGSA-N 0 0 553.710 3.591 50 0 KHAARN CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nnc(S[C@H](C)C(=O)N4CCOCC4)n32)CO1 ZINC000001248835 551632040 /nfs/dbraw/zinc/63/20/40/551632040.db2.gz MQCRPFBBKCVLQF-XLIONFOSSA-N 0 0 553.710 3.591 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000001249358 551632174 /nfs/dbraw/zinc/63/21/74/551632174.db2.gz ICQRHWZTRCOZOC-UVCFZERESA-N 0 0 513.619 3.590 50 0 KHAARN Cc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001254237 551632963 /nfs/dbraw/zinc/63/29/63/551632963.db2.gz SIQKUFFXLJMGAJ-FXAWDEMLSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001254238 551633010 /nfs/dbraw/zinc/63/30/10/551633010.db2.gz SIQKUFFXLJMGAJ-PXNSSMCTSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001254239 551632980 /nfs/dbraw/zinc/63/29/80/551632980.db2.gz SIQKUFFXLJMGAJ-YLJYHZDGSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001254240 551633046 /nfs/dbraw/zinc/63/30/46/551633046.db2.gz SIQKUFFXLJMGAJ-XLIONFOSSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3c2=O)c1 ZINC000001259932 551633564 /nfs/dbraw/zinc/63/35/64/551633564.db2.gz SBABGAMBDXYFGT-UHFFFAOYSA-N 0 0 504.612 3.878 50 0 KHAARN O=C1/C(=C2/c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000001261426 1066536181 /nfs/dbraw/zinc/53/61/81/1066536181.db2.gz QIYVEBQVGZKBGM-AMGRQBIBSA-N 0 0 549.493 3.754 50 0 KHAARN COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(CCc4ccc(OC)c(OC)c4)c3N2)c1 ZINC000001263394 551633724 /nfs/dbraw/zinc/63/37/24/551633724.db2.gz HWPYARFDYCNRQX-UHFFFAOYSA-N 0 0 572.462 3.997 50 0 KHAARN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000001266519 551634052 /nfs/dbraw/zinc/63/40/52/551634052.db2.gz FYFFNRRKJFFJIN-FPYGCLRLSA-N 0 0 573.307 3.954 50 0 KHAARN COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(CCc4ccccc4)c3N2)c1 ZINC000001271037 551634970 /nfs/dbraw/zinc/63/49/70/551634970.db2.gz ZWDJQHOPMKMHEK-UHFFFAOYSA-N 0 0 512.410 3.980 50 0 KHAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1Cc2ccccc2C[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272901 551635243 /nfs/dbraw/zinc/63/52/43/551635243.db2.gz LSZXJGUXDMQBQF-FQEVSTJZSA-N 0 0 552.587 3.625 50 0 KHAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1Cc2ccccc2C[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001272903 551635284 /nfs/dbraw/zinc/63/52/84/551635284.db2.gz LSZXJGUXDMQBQF-HXUWFJFHSA-N 0 0 552.587 3.625 50 0 KHAARN CCOC(=O)c1[nH]c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001274793 551635390 /nfs/dbraw/zinc/63/53/90/551635390.db2.gz NQEKHRWYDREMAF-UHFFFAOYSA-N 0 0 551.555 3.858 50 0 KHAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000001279596 551636420 /nfs/dbraw/zinc/63/64/20/551636420.db2.gz WANDIBNKYDCMTD-UHFFFAOYSA-N 0 0 554.101 3.805 50 0 KHAARN CC1(C)Cc2occ(C(=O)N[C@H](Cc3ccccc3)C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2C(=O)C1 ZINC000001280647 551636733 /nfs/dbraw/zinc/63/67/33/551636733.db2.gz VWWWZLJQMLWHBR-QZNHQXDQSA-N 0 0 527.621 3.583 50 0 KHAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283212 551636751 /nfs/dbraw/zinc/63/67/51/551636751.db2.gz WAADQRKJXSWLHF-XMMPIXPASA-N 0 0 582.613 3.806 50 0 KHAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000001283214 551636768 /nfs/dbraw/zinc/63/67/68/551636768.db2.gz WAADQRKJXSWLHF-DEOSSOPVSA-N 0 0 582.613 3.806 50 0 KHAARN CC1(C)[C@@H](n2oc(=O)n(-c3ccccc3)c2=O)N(c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001292237 551637091 /nfs/dbraw/zinc/63/70/91/551637091.db2.gz VJWMJKHGYCOHPJ-HSZRJFAPSA-N 0 0 500.511 3.741 50 0 KHAARN CC1(C)[C@H](n2oc(=O)n(-c3ccccc3)c2=O)N(c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000001292238 551637104 /nfs/dbraw/zinc/63/71/04/551637104.db2.gz VJWMJKHGYCOHPJ-QHCPKHFHSA-N 0 0 500.511 3.741 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 ZINC000001293728 551637382 /nfs/dbraw/zinc/63/73/82/551637382.db2.gz FYSPFWHXRUODTM-FXAWDEMLSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 ZINC000001293729 551637327 /nfs/dbraw/zinc/63/73/27/551637327.db2.gz FYSPFWHXRUODTM-PXNSSMCTSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 ZINC000001293730 551637287 /nfs/dbraw/zinc/63/72/87/551637287.db2.gz FYSPFWHXRUODTM-YLJYHZDGSA-N 0 0 553.710 3.840 50 0 KHAARN Cc1cccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 ZINC000001293731 551637254 /nfs/dbraw/zinc/63/72/54/551637254.db2.gz FYSPFWHXRUODTM-XLIONFOSSA-N 0 0 553.710 3.840 50 0 KHAARN CC1=C(C(=O)OCc2ccccc2)[C@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000001299134 551637898 /nfs/dbraw/zinc/63/78/98/551637898.db2.gz PNWQYMHBMORMIR-RUZDIDTESA-N 0 0 527.371 3.809 50 0 KHAARN CC1=C(C(=O)OCc2ccccc2)[C@@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OC(C)C)=C(N)O1 ZINC000001299135 551637873 /nfs/dbraw/zinc/63/78/73/551637873.db2.gz PNWQYMHBMORMIR-VWLOTQADSA-N 0 0 527.371 3.809 50 0 KHAARN NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000001299389 551637930 /nfs/dbraw/zinc/63/79/30/551637930.db2.gz BOCPODSKRTZGIK-UHFFFAOYSA-N 0 0 509.389 3.922 50 0 KHAARN COc1cccc(-n2c3nnc(SCC(N)=O)n3c3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 ZINC000001300013 551637877 /nfs/dbraw/zinc/63/78/77/551637877.db2.gz PAMZODNNQHIEMM-UHFFFAOYSA-N 0 0 501.612 3.891 50 0 biogenic KHAARN Cc1cccc(C(=O)Oc2ccc([C@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)c1 ZINC000001302320 551638166 /nfs/dbraw/zinc/63/81/66/551638166.db2.gz SYDLZDUBIDAHPS-DHIUTWEWSA-N 0 0 505.530 3.690 50 0 KHAARN Cc1cccc(C(=O)Oc2ccc([C@@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@@H]43)cc2)c1 ZINC000001302321 551638129 /nfs/dbraw/zinc/63/81/29/551638129.db2.gz SYDLZDUBIDAHPS-XZOQPEGZSA-N 0 0 505.530 3.690 50 0 KHAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc32)cc1S(=O)(=O)N(C)C ZINC000001305136 551638509 /nfs/dbraw/zinc/63/85/09/551638509.db2.gz CRZNGDQZLIUDKG-UHFFFAOYSA-N 0 0 511.003 3.914 50 0 KHAARN CCCc1nnc(NC(=O)c2cn(CC)c3cc(N4CCN(C(=O)c5ccco5)CC4)c(F)cc3c2=O)s1 ZINC000001305194 551638487 /nfs/dbraw/zinc/63/84/87/551638487.db2.gz HVPNNKCXGBLRCZ-UHFFFAOYSA-N 0 0 538.605 3.772 50 0 KHAARN COc1ccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001308163 551639410 /nfs/dbraw/zinc/63/94/10/551639410.db2.gz MTFUZGSDBGEXTF-OXJNMPFZSA-N 0 0 529.684 3.893 50 0 KHAARN COc1ccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001308164 551639399 /nfs/dbraw/zinc/63/93/99/551639399.db2.gz MTFUZGSDBGEXTF-JXFKEZNVSA-N 0 0 529.684 3.893 50 0 KHAARN COc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001308165 551639378 /nfs/dbraw/zinc/63/93/78/551639378.db2.gz MTFUZGSDBGEXTF-OXQOHEQNSA-N 0 0 529.684 3.893 50 0 KHAARN COc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001308166 551639418 /nfs/dbraw/zinc/63/94/18/551639418.db2.gz MTFUZGSDBGEXTF-UZLBHIALSA-N 0 0 529.684 3.893 50 0 KHAARN Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc32)cc1S(=O)(=O)NCc1nc2ccccc2[nH]1 ZINC000001308542 551639350 /nfs/dbraw/zinc/63/93/50/551639350.db2.gz PGUQDZSUGAWHFR-UHFFFAOYSA-N 0 0 514.611 3.797 50 0 KHAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000001311906 551639941 /nfs/dbraw/zinc/63/99/41/551639941.db2.gz YJWZRBAQGFKDFU-UHFFFAOYSA-N 0 0 568.128 3.816 50 0 KHAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)NCc1ccccc1 ZINC000001320790 551641256 /nfs/dbraw/zinc/64/12/56/551641256.db2.gz SMINVVGVOGWOAK-UHFFFAOYSA-N 0 0 504.568 3.677 50 0 KHAARN COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(I)cc2)cc1 ZINC000001320886 551641390 /nfs/dbraw/zinc/64/13/90/551641390.db2.gz GNBUIPKNRKWMDR-UHFFFAOYSA-N 0 0 588.383 3.960 50 0 KHAARN COc1cccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000001323469 551642194 /nfs/dbraw/zinc/64/21/94/551642194.db2.gz OBMKSNSXQAEZGH-RQSLGCGOSA-N 0 0 586.645 3.646 50 0 biogenic KHAARN COc1ccc([C@H]2C[C@H](CN(N(C)c3ncc(C(F)(F)F)cc3Cl)S(C)(=O)=O)ON2C)cc1 ZINC000001388714 551660646 /nfs/dbraw/zinc/66/06/46/551660646.db2.gz ODOCRHWNAJGZMM-SJLPKXTDSA-N 0 0 508.950 3.752 50 0 KHAARN O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc(I)cn1 ZINC000001398332 551661224 /nfs/dbraw/zinc/66/12/24/551661224.db2.gz DCHKDYIEWLNAHE-UHFFFAOYSA-N 0 0 525.700 3.514 50 0 KHAARN O=S(=O)(c1ccc(I)cc1)N1CCC(c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 ZINC000001399742 551661247 /nfs/dbraw/zinc/66/12/47/551661247.db2.gz JHRRTVVLTPYZJG-UHFFFAOYSA-N 0 0 537.379 3.978 50 0 KHAARN Cn1c2nc(SCc3cccc(Cl)c3)n(Cc3cc4c(cc3Cl)OCO4)c2c(=O)n(C)c1=O ZINC000001409269 551663952 /nfs/dbraw/zinc/66/39/52/551663952.db2.gz BSIZUBNWUWDJAU-UHFFFAOYSA-N 0 0 505.383 3.810 50 0 KHAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000001409505 551663939 /nfs/dbraw/zinc/66/39/39/551663939.db2.gz LPNCWRLUEWRHPM-QARYAGPDSA-N 0 0 530.650 3.602 50 0 KHAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000001409507 551663945 /nfs/dbraw/zinc/66/39/45/551663945.db2.gz LPNCWRLUEWRHPM-ZSJKCPIUSA-N 0 0 530.650 3.602 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1 ZINC000001413776 551666028 /nfs/dbraw/zinc/66/60/28/551666028.db2.gz DYGIUGBJBQOMLX-KDSDTBODSA-N 0 0 511.603 3.891 50 0 KHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1 ZINC000001413778 551666046 /nfs/dbraw/zinc/66/60/46/551666046.db2.gz DYGIUGBJBQOMLX-FCYPAOMHSA-N 0 0 511.603 3.891 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)cc1 ZINC000001413780 551665971 /nfs/dbraw/zinc/66/59/71/551665971.db2.gz JCWSUQSOPYHYKB-DBXPASCUSA-N 0 0 539.613 3.654 50 0 KHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)cc1 ZINC000001413782 551665981 /nfs/dbraw/zinc/66/59/81/551665981.db2.gz JCWSUQSOPYHYKB-CMISJSSVSA-N 0 0 539.613 3.654 50 0 KHAARN Cc1c2c(cc(=O)n1CCN1CCOCC1)n(Cc1ccccc1Cl)n(-c1nc3ccccc3s1)c2=O ZINC000001413819 551666009 /nfs/dbraw/zinc/66/60/09/551666009.db2.gz AYLMRFUCWAQCNS-UHFFFAOYSA-N 0 0 536.057 3.906 50 0 KHAARN COC(=O)Cn1c2cc(=O)n(CCc3c[nH]c4ccccc34)c(C)c2c(=O)n1-c1nc2ccccc2s1 ZINC000001413836 551666323 /nfs/dbraw/zinc/66/63/23/551666323.db2.gz BKHCIYRFOIXBPJ-UHFFFAOYSA-N 0 0 513.579 3.769 50 0 KHAARN Cn1c2nc3n(cc(-c4ccc(Br)cc4)n3-c3ccc(OC(F)F)cc3)c2c(=O)n(C)c1=O ZINC000001414403 551666346 /nfs/dbraw/zinc/66/63/46/551666346.db2.gz ZHDFDWOMNVBBAC-UHFFFAOYSA-N 0 0 516.302 3.707 50 0 KHAARN O=C(CN(Cc1nc(-c2ccccc2)cs1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000001415116 551666564 /nfs/dbraw/zinc/66/65/64/551666564.db2.gz XETPJNNQNKNCLL-UHFFFAOYSA-N 0 0 526.578 3.951 50 0 KHAARN COc1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418834 551666649 /nfs/dbraw/zinc/66/66/49/551666649.db2.gz QDOIZNJVKRKTLW-GDLZYMKVSA-N 0 0 550.575 3.972 50 0 KHAARN COc1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000001418835 551666660 /nfs/dbraw/zinc/66/66/60/551666660.db2.gz QDOIZNJVKRKTLW-LJAQVGFWSA-N 0 0 550.575 3.972 50 0 KHAARN COc1ccc(NC(=O)CN(C(=O)Cn2nnc3ccccc32)[C@H](c2cccnc2)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000001418887 551667041 /nfs/dbraw/zinc/66/70/41/551667041.db2.gz FLZCYVQEYYTKDX-HKBQPEDESA-N 0 0 580.601 3.829 50 0 KHAARN COc1ccc(NC(=O)CN(C(=O)Cn2nnc3ccccc32)[C@@H](c2cccnc2)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000001418888 551667012 /nfs/dbraw/zinc/66/70/12/551667012.db2.gz FLZCYVQEYYTKDX-WJOKGBTCSA-N 0 0 580.601 3.829 50 0 KHAARN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000001418917 551667040 /nfs/dbraw/zinc/66/70/40/551667040.db2.gz GKJGMIWLJLFMHN-SANMLTNESA-N 0 0 503.534 3.991 50 0 KHAARN CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000001418918 551666998 /nfs/dbraw/zinc/66/69/98/551666998.db2.gz GKJGMIWLJLFMHN-AREMUKBSSA-N 0 0 503.534 3.991 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001419051 551667653 /nfs/dbraw/zinc/66/76/53/551667653.db2.gz VYSKATJEYNDZOP-PIKZIKFNSA-N 0 0 524.581 3.947 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000001419052 551667660 /nfs/dbraw/zinc/66/76/60/551667660.db2.gz VYSKATJEYNDZOP-LYZGTLIUSA-N 0 0 524.581 3.947 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001419053 551667739 /nfs/dbraw/zinc/66/77/39/551667739.db2.gz VYSKATJEYNDZOP-KMRXNPHXSA-N 0 0 524.581 3.947 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000001419054 551667725 /nfs/dbraw/zinc/66/77/25/551667725.db2.gz VYSKATJEYNDZOP-RBTNQOKQSA-N 0 0 524.581 3.947 50 0 KHAARN COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001419061 551667691 /nfs/dbraw/zinc/66/76/91/551667691.db2.gz WYBKKGPAKJLGQL-PMERELPUSA-N 0 0 580.601 3.981 50 0 KHAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000001419062 551667695 /nfs/dbraw/zinc/66/76/95/551667695.db2.gz WYBKKGPAKJLGQL-SSEXGKCCSA-N 0 0 580.601 3.981 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000001419172 551668392 /nfs/dbraw/zinc/66/83/92/551668392.db2.gz MJCJECVJOYHOIS-NDEPHWFRSA-N 0 0 520.549 3.964 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000001419173 551668402 /nfs/dbraw/zinc/66/84/02/551668402.db2.gz MJCJECVJOYHOIS-MUUNZHRXSA-N 0 0 520.549 3.964 50 0 KHAARN CCOC(=O)c1cnn2c1-c1cc(F)c(N3CCN(C(=O)OCC)CC3)c(F)c1-n1c3ccccc3nc1-2 ZINC000001424464 551669334 /nfs/dbraw/zinc/66/93/34/551669334.db2.gz RWWHIUVZXXNUHY-UHFFFAOYSA-N 0 0 522.512 3.925 50 0 KHAARN Clc1cnc(Oc2ccc(Oc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c(Cl)c1 ZINC000001425743 551669278 /nfs/dbraw/zinc/66/92/78/551669278.db2.gz FSGIADZTYOHVOI-UHFFFAOYSA-N 0 0 505.362 3.831 50 0 KHAARN COc1cc(OC)c(S(=O)(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000001426073 551669381 /nfs/dbraw/zinc/66/93/81/551669381.db2.gz NHGWLUNESPODTB-UHFFFAOYSA-N 0 0 528.652 3.987 50 0 KHAARN COc1ccc2c(c1)c(CC(=O)N1CCN(c3ncccn3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000001426313 551669463 /nfs/dbraw/zinc/66/94/63/551669463.db2.gz FZPYFFZNIWKAGG-UHFFFAOYSA-N 0 0 503.990 3.982 50 0 KHAARN CCc1ccc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000001429020 551669653 /nfs/dbraw/zinc/66/96/53/551669653.db2.gz ASEPWYLKHNUTRZ-UHFFFAOYSA-N 0 0 531.560 3.794 50 0 KHAARN CCOC(=O)c1cn(-c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(F)c(N3CCCC3)c(F)cc2c1=O ZINC000001430499 551669942 /nfs/dbraw/zinc/66/99/42/551669942.db2.gz AISCIRDLTQOWCI-UHFFFAOYSA-N 0 0 508.525 3.844 50 0 KHAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@H]3C(C)C)nc2c1 ZINC000001432415 551670399 /nfs/dbraw/zinc/67/03/99/551670399.db2.gz GQYAABVEZZFRGZ-QHCPKHFHSA-N 0 0 502.662 3.877 50 0 KHAARN CCOc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C(C)C)nc2c1 ZINC000001432416 551670499 /nfs/dbraw/zinc/67/04/99/551670499.db2.gz GQYAABVEZZFRGZ-HSZRJFAPSA-N 0 0 502.662 3.877 50 0 KHAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)c2cc1OC ZINC000001438894 551672442 /nfs/dbraw/zinc/67/24/42/551672442.db2.gz LDLCLQISTOPJFC-UHFFFAOYSA-N 0 0 578.647 3.851 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001441188 551672894 /nfs/dbraw/zinc/67/28/94/551672894.db2.gz MFHYMVMLWWLTHV-QFIPXVFZSA-N 0 0 515.522 3.958 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000001441189 551672927 /nfs/dbraw/zinc/67/29/27/551672927.db2.gz MFHYMVMLWWLTHV-JOCHJYFZSA-N 0 0 515.522 3.958 50 0 KHAARN Cc1ccc(C(=O)N[C@H](Nc2ccc(S(N)(=O)=O)cc2)C(Br)(Br)Br)cc1 ZINC000001446589 551674308 /nfs/dbraw/zinc/67/43/08/551674308.db2.gz IWSQDXKKQZMQAR-HNNXBMFYSA-N 0 0 570.101 3.649 50 0 KHAARN Cc1ccc(C(=O)N[C@@H](Nc2ccc(S(N)(=O)=O)cc2)C(Br)(Br)Br)cc1 ZINC000001446590 551674293 /nfs/dbraw/zinc/67/42/93/551674293.db2.gz IWSQDXKKQZMQAR-OAHLLOKOSA-N 0 0 570.101 3.649 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5ccccc5Cl)o4)sc3nc2=O)cc1OC ZINC000001450166 551674908 /nfs/dbraw/zinc/67/49/08/551674908.db2.gz OAEDXRBRTXPGMA-XKZIYDEJSA-N 0 0 507.955 3.580 50 0 KHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cc(Cl)c(O)c(OC)c1 ZINC000001459541 551677631 /nfs/dbraw/zinc/67/76/31/551677631.db2.gz OMWLDVACUMEICV-UHFFFAOYSA-N 0 0 503.935 3.785 50 0 KHAARN COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 ZINC000001459557 551677654 /nfs/dbraw/zinc/67/76/54/551677654.db2.gz RNUVSSLHHPJJPU-UHFFFAOYSA-N 0 0 548.386 3.894 50 0 KHAARN COc1cc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2cccc(C)c2)cc(OC)c1OC ZINC000001461786 551679541 /nfs/dbraw/zinc/67/95/41/551679541.db2.gz BWZJTHIHEGMPIH-UHFFFAOYSA-N 0 0 510.568 3.833 50 0 KHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000001462433 551679526 /nfs/dbraw/zinc/67/95/26/551679526.db2.gz MJSWKWHSPKZBDV-SFHVURJKSA-N 0 0 523.998 3.892 50 0 KHAARN O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000001462434 551679538 /nfs/dbraw/zinc/67/95/38/551679538.db2.gz MJSWKWHSPKZBDV-GOSISDBHSA-N 0 0 523.998 3.892 50 0 KHAARN Cc1cccc(N(CCOC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000001462435 551679664 /nfs/dbraw/zinc/67/96/64/551679664.db2.gz AEVPIKGDANDRPI-FQEVSTJZSA-N 0 0 503.580 3.547 50 0 KHAARN Cc1cccc(N(CCOC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000001462436 551679632 /nfs/dbraw/zinc/67/96/32/551679632.db2.gz AEVPIKGDANDRPI-HXUWFJFHSA-N 0 0 503.580 3.547 50 0 KHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(I)cc3C)CC2)cc1 ZINC000001463517 551679677 /nfs/dbraw/zinc/67/96/77/551679677.db2.gz PYEKBFRBEIQBRR-UHFFFAOYSA-N 0 0 557.410 3.817 50 0 KHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(I)c(C)c3)C2)cc1 ZINC000001463562 551679627 /nfs/dbraw/zinc/67/96/27/551679627.db2.gz ACNCFTANSSXXIO-HNNXBMFYSA-N 0 0 557.410 3.817 50 0 KHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(I)c(C)c3)C2)cc1 ZINC000001463563 551679612 /nfs/dbraw/zinc/67/96/12/551679612.db2.gz ACNCFTANSSXXIO-OAHLLOKOSA-N 0 0 557.410 3.817 50 0 KHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(I)cc3)C2)cc1 ZINC000001463579 551679697 /nfs/dbraw/zinc/67/96/97/551679697.db2.gz KCFONJRLQVWABY-CQSZACIVSA-N 0 0 543.383 3.509 50 0 KHAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(I)cc3)C2)cc1 ZINC000001463581 551679638 /nfs/dbraw/zinc/67/96/38/551679638.db2.gz KCFONJRLQVWABY-AWEZNQCLSA-N 0 0 543.383 3.509 50 0 KHAARN CC(C)[C@@H](C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2)N1C(=O)c2ccccc2C1=O ZINC000001466200 551680024 /nfs/dbraw/zinc/68/00/24/551680024.db2.gz PYEGGIMOJOYTLJ-QFIPXVFZSA-N 0 0 502.596 3.821 50 0 KHAARN CC(C)[C@H](C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2)N1C(=O)c2ccccc2C1=O ZINC000001466201 551679978 /nfs/dbraw/zinc/67/99/78/551679978.db2.gz PYEGGIMOJOYTLJ-JOCHJYFZSA-N 0 0 502.596 3.821 50 0 KHAARN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 ZINC000001466553 551680022 /nfs/dbraw/zinc/68/00/22/551680022.db2.gz JTZUKTHWMYGGAT-UHFFFAOYSA-N 0 0 502.596 3.967 50 0 KHAARN COC(=O)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)cc1 ZINC000001467151 551680085 /nfs/dbraw/zinc/68/00/85/551680085.db2.gz GPYIHKHEBVYKRF-XSZPGNIMSA-N 0 0 528.586 3.667 50 0 KHAARN COC(=O)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)cc1 ZINC000001467153 551680213 /nfs/dbraw/zinc/68/02/13/551680213.db2.gz GPYIHKHEBVYKRF-XXMKCSCWSA-N 0 0 528.586 3.667 50 0 KHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000001477083 551681286 /nfs/dbraw/zinc/68/12/86/551681286.db2.gz HRDXEZWNTBHZNZ-UHFFFAOYSA-N 0 0 501.539 3.891 50 0 KHAARN CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(C)=O)cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000001490517 551683073 /nfs/dbraw/zinc/68/30/73/551683073.db2.gz ZKUCFFYOQOJLGT-UHFFFAOYSA-N 0 0 503.559 3.593 50 0 in-vitro KHAARN COC(=O)C(Cc1ccc(OCCn2c3ccc(C(=O)c4ccccc4)cc3sc2=O)cc1)C(=O)OC ZINC000001494210 551683019 /nfs/dbraw/zinc/68/30/19/551683019.db2.gz NSMJEHGOMXSLCW-UHFFFAOYSA-N 0 0 519.575 3.878 50 0 in-vitro KHAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000001506133 551683309 /nfs/dbraw/zinc/68/33/09/551683309.db2.gz KUZDVAWXBNZOAO-UHFFFAOYSA-N 0 0 529.412 3.953 50 0 KHAARN COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc(I)c1OC(C)=O ZINC000001507091 551683283 /nfs/dbraw/zinc/68/32/83/551683283.db2.gz VTYXUPMQRBVLHQ-CHHVJCJISA-N 0 0 553.305 3.595 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1 ZINC000001509323 551683239 /nfs/dbraw/zinc/68/32/39/551683239.db2.gz OXKSKBCDSGICJZ-HSZRJFAPSA-N 0 0 528.428 3.883 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1 ZINC000001509328 551683287 /nfs/dbraw/zinc/68/32/87/551683287.db2.gz OXKSKBCDSGICJZ-QHCPKHFHSA-N 0 0 528.428 3.883 50 0 KHAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001510243 551683518 /nfs/dbraw/zinc/68/35/18/551683518.db2.gz PHRWWSLEHDMMOW-VWLOTQADSA-N 0 0 526.014 3.545 50 0 KHAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001510248 551683480 /nfs/dbraw/zinc/68/34/80/551683480.db2.gz PHRWWSLEHDMMOW-RUZDIDTESA-N 0 0 526.014 3.545 50 0 KHAARN COc1ccc(C2=N/C(=C\c3cc(I)c(OC(C)=O)c(OC)c3)C(=O)O2)cc1OC ZINC000001511799 551683478 /nfs/dbraw/zinc/68/34/78/551683478.db2.gz CUKJUHIEUPFZQX-NVNXTCNLSA-N 0 0 523.279 3.587 50 0 KHAARN O=C(Nc1cccc2ccccc21)c1ncn2c1c(=O)n1cnc(C(=O)Nc3cccc4ccccc43)c1c2=O ZINC000001515874 1066854928 /nfs/dbraw/zinc/85/49/28/1066854928.db2.gz QIJIWAGPHCRLAT-UHFFFAOYSA-N 0 0 526.512 3.951 50 0 KHAARN COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc(Br)c1OC(C)=O ZINC000001515900 551683459 /nfs/dbraw/zinc/68/34/59/551683459.db2.gz RPSMLSJERSFRKN-CHHVJCJISA-N 0 0 506.305 3.753 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000001516576 551683836 /nfs/dbraw/zinc/68/38/36/551683836.db2.gz TYADRTJNOAUQLM-UHFFFAOYSA-N 0 0 580.688 3.845 50 0 KHAARN Nc1c(-c2nc3ccccc3n2Cc2ccccc2)c2nc3c(N)nnc(N)c3nc2n1Cc1ccco1 ZINC000001748294 551692535 /nfs/dbraw/zinc/69/25/35/551692535.db2.gz LMVSSQLGIALNCV-UHFFFAOYSA-N 0 0 502.542 3.827 50 0 KHAARN COc1ccc(C(=O)NCCCn2cc[n+](-c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000001752992 551693460 /nfs/dbraw/zinc/69/34/60/551693460.db2.gz NLXRFODFLMTMIZ-UHFFFAOYSA-O 0 0 557.656 3.646 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001764914 551694924 /nfs/dbraw/zinc/69/49/24/551694924.db2.gz LFAQLZFKTWOPTR-OGRZUZBBSA-N 0 0 558.612 3.545 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001764919 551694874 /nfs/dbraw/zinc/69/48/74/551694874.db2.gz LFAQLZFKTWOPTR-ASSGYOTOSA-N 0 0 558.612 3.545 50 0 KHAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001774471 551697137 /nfs/dbraw/zinc/69/71/37/551697137.db2.gz FCKZTIJDEVLPKU-CLJLJLNGSA-N 0 0 509.562 3.666 50 0 biogenic KHAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001774472 551697143 /nfs/dbraw/zinc/69/71/43/551697143.db2.gz FCKZTIJDEVLPKU-IZZNHLLZSA-N 0 0 509.562 3.666 50 0 biogenic KHAARN CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001774473 551697096 /nfs/dbraw/zinc/69/70/96/551697096.db2.gz FCKZTIJDEVLPKU-FTJBHMTQSA-N 0 0 509.562 3.666 50 0 biogenic KHAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001774474 551697083 /nfs/dbraw/zinc/69/70/83/551697083.db2.gz FCKZTIJDEVLPKU-UIOOFZCWSA-N 0 0 509.562 3.666 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000001777288 551697779 /nfs/dbraw/zinc/69/77/79/551697779.db2.gz XFCHWTLWDHREID-CVGPFBNFSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000001777293 551697754 /nfs/dbraw/zinc/69/77/54/551697754.db2.gz XFCHWTLWDHREID-LJJBLSSYSA-N 0 0 534.615 3.906 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 ZINC000001777905 551697727 /nfs/dbraw/zinc/69/77/27/551697727.db2.gz YJXHREKIJSZDAD-UHFFFAOYSA-N 0 0 526.665 3.704 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000001778302 551697730 /nfs/dbraw/zinc/69/77/30/551697730.db2.gz JUUZGGXITYBHHA-RNHBDSLOSA-N 0 0 519.026 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccccc1 ZINC000001778307 551697713 /nfs/dbraw/zinc/69/77/13/551697713.db2.gz JUUZGGXITYBHHA-FQWPPLDYSA-N 0 0 519.026 3.946 50 0 KHAARN CCOC(=O)c1sc2ncn(CC(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)c(=O)c2c1C ZINC000001778413 551697796 /nfs/dbraw/zinc/69/77/96/551697796.db2.gz AKULRTFATYTHLT-UHFFFAOYSA-N 0 0 503.602 3.699 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000001780540 551698141 /nfs/dbraw/zinc/69/81/41/551698141.db2.gz IMXNYBRAKQLBOP-LWUPDDLQSA-N 0 0 534.634 3.640 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000001780544 551698157 /nfs/dbraw/zinc/69/81/57/551698157.db2.gz IMXNYBRAKQLBOP-GJFKPFFXSA-N 0 0 534.634 3.640 50 0 KHAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2cccc(C(=O)OC)c2)cc1 ZINC000001786051 551700662 /nfs/dbraw/zinc/70/06/62/551700662.db2.gz USOYOKCCDYJIBK-UHFFFAOYSA-N 0 0 548.577 3.922 50 0 KHAARN CCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 ZINC000001786053 551700699 /nfs/dbraw/zinc/70/06/99/551700699.db2.gz CZALXJIVXYTRDE-UHFFFAOYSA-N 0 0 548.577 3.922 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000001789553 551701308 /nfs/dbraw/zinc/70/13/08/551701308.db2.gz GPMHIUWHJRNFJF-GJFKPFFXSA-N 0 0 504.608 3.847 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000001789556 551701273 /nfs/dbraw/zinc/70/12/73/551701273.db2.gz GPMHIUWHJRNFJF-LWUPDDLQSA-N 0 0 504.608 3.847 50 0 KHAARN Cc1cc(OCC(=O)NCCNC(=O)COc2ccc(Br)c(C)c2)ccc1Br ZINC000001794838 551702394 /nfs/dbraw/zinc/70/23/94/551702394.db2.gz GAHWIWCMUZZHPV-UHFFFAOYSA-N 0 0 514.214 3.519 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC(C)C)[C@H]1c1c(F)cccc1Cl ZINC000001799736 551703268 /nfs/dbraw/zinc/70/32/68/551703268.db2.gz QKINPFDNMDQMDX-OLROSQPISA-N 0 0 595.451 3.914 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC(C)C)[C@@H]1c1c(F)cccc1Cl ZINC000001799740 551703236 /nfs/dbraw/zinc/70/32/36/551703236.db2.gz QKINPFDNMDQMDX-ZMUHTPIZSA-N 0 0 595.451 3.914 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001800507 551703515 /nfs/dbraw/zinc/70/35/15/551703515.db2.gz LMHZHELUWDQDQW-CNSVBDKNSA-N 0 0 503.407 3.732 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001800512 551703501 /nfs/dbraw/zinc/70/35/01/551703501.db2.gz LMHZHELUWDQDQW-FNGUVFISSA-N 0 0 503.407 3.732 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC ZINC000001803015 551703900 /nfs/dbraw/zinc/70/39/00/551703900.db2.gz HJTLMULICZMMSV-GJFKPFFXSA-N 0 0 501.608 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000001803018 551703983 /nfs/dbraw/zinc/70/39/83/551703983.db2.gz HJTLMULICZMMSV-LWUPDDLQSA-N 0 0 501.608 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000001803651 551704097 /nfs/dbraw/zinc/70/40/97/551704097.db2.gz GCQZNKYKAZKUBW-GJFKPFFXSA-N 0 0 546.576 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001803656 551704127 /nfs/dbraw/zinc/70/41/27/551704127.db2.gz GCQZNKYKAZKUBW-LWUPDDLQSA-N 0 0 546.576 3.984 50 0 KHAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000001804742 551704374 /nfs/dbraw/zinc/70/43/74/551704374.db2.gz BPAPFKKEXAALAL-UHFFFAOYSA-N 0 0 556.691 3.713 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000001804753 551704375 /nfs/dbraw/zinc/70/43/75/551704375.db2.gz DKDGWPYUBGYOKW-UHFFFAOYSA-N 0 0 530.031 3.975 50 0 KHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 ZINC000001807281 551704780 /nfs/dbraw/zinc/70/47/80/551704780.db2.gz YPGIEHCUJJWYGH-UQQQWYQISA-N 0 0 503.587 3.811 50 0 KHAARN NC(=O)c1c2c(sc1NC(=O)CCCCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)CCCC2 ZINC000001811321 551706489 /nfs/dbraw/zinc/70/64/89/551706489.db2.gz WWXFEYIDNGBCHW-UHFFFAOYSA-N 0 0 502.662 3.903 50 0 KHAARN COC(=O)[C@H](C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001812475 551706657 /nfs/dbraw/zinc/70/66/57/551706657.db2.gz AZIFRKXHAIJRRW-SUMWQHHRSA-N 0 0 514.629 3.854 50 0 KHAARN COC(=O)[C@H](C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001812476 551706671 /nfs/dbraw/zinc/70/66/71/551706671.db2.gz AZIFRKXHAIJRRW-GUYCJALGSA-N 0 0 514.629 3.854 50 0 KHAARN COC(=O)[C@@H](C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001812477 551706673 /nfs/dbraw/zinc/70/66/73/551706673.db2.gz AZIFRKXHAIJRRW-CXAGYDPISA-N 0 0 514.629 3.854 50 0 KHAARN COC(=O)[C@@H](C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001812478 551706681 /nfs/dbraw/zinc/70/66/81/551706681.db2.gz AZIFRKXHAIJRRW-DYVFJYSZSA-N 0 0 514.629 3.854 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc3nsnc31)CCCC2 ZINC000001813434 551706762 /nfs/dbraw/zinc/70/67/62/551706762.db2.gz GPPULAPLGXXWNN-OAHLLOKOSA-N 0 0 520.658 3.600 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc3nsnc31)CCCC2 ZINC000001813435 551706777 /nfs/dbraw/zinc/70/67/77/551706777.db2.gz GPPULAPLGXXWNN-HNNXBMFYSA-N 0 0 520.658 3.600 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000001814135 551706952 /nfs/dbraw/zinc/70/69/52/551706952.db2.gz LXFMOUCNYFXHOI-MYXKAAJQSA-N 0 0 515.635 3.622 50 0 KHAARN COc1cc([C@@H]2NC(=S)N3[C@H](c4cc(OC)c(OC)c(OC)c4)NC(=S)N23)cc(OC)c1OC ZINC000001816871 551707868 /nfs/dbraw/zinc/70/78/68/551707868.db2.gz MDHYGXSDGHLACD-WOJBJXKFSA-N 0 0 506.606 3.553 50 0 KHAARN COc1cc([C@H]2NC(=S)N3[C@@H](c4cc(OC)c(OC)c(OC)c4)NC(=S)N23)cc(OC)c1OC ZINC000001816872 551707899 /nfs/dbraw/zinc/70/78/99/551707899.db2.gz MDHYGXSDGHLACD-PMACEKPBSA-N 0 0 506.606 3.553 50 0 KHAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(C)nn3c2=O)ccc1OCCC(C)C ZINC000001824630 551709684 /nfs/dbraw/zinc/70/96/84/551709684.db2.gz SNUIZWLKXMWLLS-IWIPYMOSSA-N 0 0 513.623 3.953 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001825732 551709993 /nfs/dbraw/zinc/70/99/93/551709993.db2.gz IPVQKZPOCVVQRH-CNSVBDKNSA-N 0 0 503.407 3.732 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001825734 551709980 /nfs/dbraw/zinc/70/99/80/551709980.db2.gz IPVQKZPOCVVQRH-FNGUVFISSA-N 0 0 503.407 3.732 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(Br)c4)c(=O)n32)cc1 ZINC000001828003 551710603 /nfs/dbraw/zinc/71/06/03/551710603.db2.gz LCZBRIHLIUQMHA-VLOXRPPESA-N 0 0 527.440 3.958 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(Br)c4)c(=O)n32)cc1 ZINC000001828005 551710551 /nfs/dbraw/zinc/71/05/51/551710551.db2.gz LCZBRIHLIUQMHA-WLJFKGHSSA-N 0 0 527.440 3.958 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000001831313 551711365 /nfs/dbraw/zinc/71/13/65/551711365.db2.gz UBLWCDAJJIWHCH-GYZZIOIESA-N 0 0 599.517 3.725 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccccc3Cl)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000001831315 551711379 /nfs/dbraw/zinc/71/13/79/551711379.db2.gz UBLWCDAJJIWHCH-PHCAOYFPSA-N 0 0 599.517 3.725 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccs1 ZINC000001832919 551711672 /nfs/dbraw/zinc/71/16/72/551711672.db2.gz KDCOOHRZUSNOOX-CVGPFBNFSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000001832921 551711696 /nfs/dbraw/zinc/71/16/96/551711696.db2.gz KDCOOHRZUSNOOX-LJJBLSSYSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001835227 551712122 /nfs/dbraw/zinc/71/21/22/551712122.db2.gz XGXLUHSOZUBQOY-AFHVAHMMSA-N 0 0 514.962 3.516 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001835229 551712036 /nfs/dbraw/zinc/71/20/36/551712036.db2.gz XGXLUHSOZUBQOY-ZRELAVNMSA-N 0 0 514.962 3.516 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000001835813 551712307 /nfs/dbraw/zinc/71/23/07/551712307.db2.gz XMEZYALTHIPZPZ-MFUBYVTQSA-N 0 0 541.025 3.776 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000001835815 551712335 /nfs/dbraw/zinc/71/23/35/551712335.db2.gz XMEZYALTHIPZPZ-RWTNITNYSA-N 0 0 541.025 3.776 50 0 KHAARN O=C1/C(=C2/c3cc(Br)ccc3N(Cc3ccccc3)C2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000001836284 1066488827 /nfs/dbraw/zinc/48/88/27/1066488827.db2.gz QIYVEBQVGZKBGM-MJWGMMHASA-N 0 0 549.493 3.754 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000001836518 551712659 /nfs/dbraw/zinc/71/26/59/551712659.db2.gz AUPQFJCKCAGEQR-GJFKPFFXSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000001836520 551712667 /nfs/dbraw/zinc/71/26/67/551712667.db2.gz AUPQFJCKCAGEQR-LWUPDDLQSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000001837346 551712807 /nfs/dbraw/zinc/71/28/07/551712807.db2.gz KUIWDHMQWYCLSM-JKALPCAWSA-N 0 0 501.377 3.700 50 0 KHAARN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000001857134 551716460 /nfs/dbraw/zinc/71/64/60/551716460.db2.gz SGJAPGNMLFPNBL-QCHPHUCNSA-N 0 0 513.015 3.857 50 0 KHAARN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000001857137 551716463 /nfs/dbraw/zinc/71/64/63/551716463.db2.gz SGJAPGNMLFPNBL-VZIOXZNFSA-N 0 0 513.015 3.857 50 0 KHAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)cc(OC)c1OC ZINC000001870118 551719388 /nfs/dbraw/zinc/71/93/88/551719388.db2.gz FTIAMLCFLBPMCP-ZTOMLWHTSA-N 0 0 555.587 3.808 50 0 biogenic KHAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)cc(OC)c1OC ZINC000001870119 551719410 /nfs/dbraw/zinc/71/94/10/551719410.db2.gz FTIAMLCFLBPMCP-PZGXJGMVSA-N 0 0 555.587 3.808 50 0 biogenic KHAARN CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1c(F)cccc1Cl ZINC000001875274 551721610 /nfs/dbraw/zinc/72/16/10/551721610.db2.gz DQMATGHKPDHTGQ-DPWKNNTCSA-N 0 0 581.424 3.525 50 0 KHAARN CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1c(F)cccc1Cl ZINC000001875276 551721627 /nfs/dbraw/zinc/72/16/27/551721627.db2.gz DQMATGHKPDHTGQ-XGHXRCDJSA-N 0 0 581.424 3.525 50 0 KHAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000001876813 551722946 /nfs/dbraw/zinc/72/29/46/551722946.db2.gz NJDUYFGTHPGADC-UHFFFAOYSA-N 0 0 576.564 3.662 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000001881146 551724206 /nfs/dbraw/zinc/72/42/06/551724206.db2.gz KHURTBZQRVYCCU-GYZZIOIESA-N 0 0 599.517 3.725 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000001881152 551724209 /nfs/dbraw/zinc/72/42/09/551724209.db2.gz KHURTBZQRVYCCU-PHCAOYFPSA-N 0 0 599.517 3.725 50 0 KHAARN O=C(NN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccnc1 ZINC000001884401 551724998 /nfs/dbraw/zinc/72/49/98/551724998.db2.gz OXGGPPBJWOJRBS-UOYQGRGCSA-N 0 0 553.210 3.632 50 0 KHAARN O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)c1cccnc1 ZINC000001884407 551724989 /nfs/dbraw/zinc/72/49/89/551724989.db2.gz OXGGPPBJWOJRBS-AYJAPBJVSA-N 0 0 553.210 3.632 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000001890319 551726275 /nfs/dbraw/zinc/72/62/75/551726275.db2.gz RPOGHXFGYORQBI-RISWYLRJSA-N 0 0 550.633 3.519 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000001890322 551726290 /nfs/dbraw/zinc/72/62/90/551726290.db2.gz RPOGHXFGYORQBI-LMSRTUJASA-N 0 0 550.633 3.519 50 0 KHAARN CCCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC(=O)Nc5ccc(F)cc5)C4=O)c(=O)n3n2)cc1 ZINC000001890580 551726505 /nfs/dbraw/zinc/72/65/05/551726505.db2.gz XZAXKXUWCKUOBQ-IZHYLOQSSA-N 0 0 555.591 3.649 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@H](C)C4)C[C@@H](C)CC2 ZINC000001892761 551726930 /nfs/dbraw/zinc/72/69/30/551726930.db2.gz GJSSLKUZNBKDKD-STQMWFEESA-N 0 0 500.646 3.980 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@H](C)C4)C[C@H](C)CC2 ZINC000001892762 551726936 /nfs/dbraw/zinc/72/69/36/551726936.db2.gz GJSSLKUZNBKDKD-QWHCGFSZSA-N 0 0 500.646 3.980 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@@H](C)C4)C[C@@H](C)CC2 ZINC000001892764 551726901 /nfs/dbraw/zinc/72/69/01/551726901.db2.gz GJSSLKUZNBKDKD-OLZOCXBDSA-N 0 0 500.646 3.980 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)Cn1nnc3sc4c(c3c1=O)CC[C@@H](C)C4)C[C@H](C)CC2 ZINC000001892765 551726897 /nfs/dbraw/zinc/72/68/97/551726897.db2.gz GJSSLKUZNBKDKD-CHWSQXEVSA-N 0 0 500.646 3.980 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@H](C)O5)sc3nc2=O)cc1 ZINC000001894008 551727128 /nfs/dbraw/zinc/72/71/28/551727128.db2.gz ZYSHTCGCWLMLBB-JTOGBTRBSA-N 0 0 575.650 3.834 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@@H](C)O5)sc3nc2=O)cc1 ZINC000001894012 551727104 /nfs/dbraw/zinc/72/71/04/551727104.db2.gz ZYSHTCGCWLMLBB-BKBIYGFMSA-N 0 0 575.650 3.834 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccc(OC)c(C)c4)sc3nc2=O)cc1 ZINC000001896859 551728623 /nfs/dbraw/zinc/72/86/23/551728623.db2.gz CYRBWDCSQYUXSL-PKAZHMFMSA-N 0 0 563.639 3.828 50 0 KHAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1F ZINC000001897491 551728734 /nfs/dbraw/zinc/72/87/34/551728734.db2.gz YVWJXAHAWDFCKT-QQXSKIMKSA-N 0 0 551.603 3.959 50 0 KHAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3Cl)sc2=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000001898917 551729576 /nfs/dbraw/zinc/72/95/76/551729576.db2.gz RDSTXYXXFQHPHU-STIKNRRDSA-N 0 0 559.471 3.637 50 0 KHAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccccc3Cl)sc2=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000001898919 551729586 /nfs/dbraw/zinc/72/95/86/551729586.db2.gz RDSTXYXXFQHPHU-GRTQGXPSSA-N 0 0 559.471 3.637 50 0 KHAARN COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000001899150 551729802 /nfs/dbraw/zinc/72/98/02/551729802.db2.gz KCYHFSIQKOMBRO-UHFFFAOYSA-N 0 0 560.057 3.887 50 0 KHAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001899900 551730502 /nfs/dbraw/zinc/73/05/02/551730502.db2.gz SPYNTOLYPVDVAF-OXJNMPFZSA-N 0 0 569.709 3.540 50 0 KHAARN COc1ccc(-n2c3nnc(S[C@@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001899901 551730446 /nfs/dbraw/zinc/73/04/46/551730446.db2.gz SPYNTOLYPVDVAF-JXFKEZNVSA-N 0 0 569.709 3.540 50 0 KHAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 ZINC000001899902 551730494 /nfs/dbraw/zinc/73/04/94/551730494.db2.gz SPYNTOLYPVDVAF-OXQOHEQNSA-N 0 0 569.709 3.540 50 0 KHAARN COc1ccc(-n2c3nnc(S[C@H](C)C(=O)N4CCOCC4)n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 ZINC000001899903 551730451 /nfs/dbraw/zinc/73/04/51/551730451.db2.gz SPYNTOLYPVDVAF-UZLBHIALSA-N 0 0 569.709 3.540 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001901752 551731231 /nfs/dbraw/zinc/73/12/31/551731231.db2.gz WSQHEIVZEQYITL-JAORQVBISA-N 0 0 521.397 3.871 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001901754 551731257 /nfs/dbraw/zinc/73/12/57/551731257.db2.gz WSQHEIVZEQYITL-JCAJYURWSA-N 0 0 521.397 3.871 50 0 KHAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)NCCc1ccccc1 ZINC000001906799 551732431 /nfs/dbraw/zinc/73/24/31/551732431.db2.gz ACGYBBKBXHWHDB-UHFFFAOYSA-N 0 0 518.595 3.720 50 0 KHAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1cccc(C(=O)OC)c1 ZINC000001906946 551732648 /nfs/dbraw/zinc/73/26/48/551732648.db2.gz NZGHCDBJPJWTAI-UHFFFAOYSA-N 0 0 548.577 3.786 50 0 KHAARN CCCc1cc(=O)n2c(n1)sc(C(=O)Nc1ccc(C(=O)OC)cc1)c2C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001906951 551732681 /nfs/dbraw/zinc/73/26/81/551732681.db2.gz DOYFQFBPLABSND-UHFFFAOYSA-N 0 0 548.577 3.786 50 0 KHAARN CCCOC(=O)c1ccc(NC(=O)c2c(C(=O)Nc3ccc(C(=O)OC)cc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001906953 551732674 /nfs/dbraw/zinc/73/26/74/551732674.db2.gz CDQXQXLETHLOOT-UHFFFAOYSA-N 0 0 548.577 3.922 50 0 KHAARN COC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(=O)n3c2C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000001906955 551732650 /nfs/dbraw/zinc/73/26/50/551732650.db2.gz CDRCQHKLRNALAJ-UHFFFAOYSA-N 0 0 548.577 3.921 50 0 KHAARN CCCOC(=O)c1cccc(NC(=O)c2c(C(=O)Nc3ccc(C(=O)OC)cc3)sc3nc(C)cc(=O)n32)c1 ZINC000001906958 551732637 /nfs/dbraw/zinc/73/26/37/551732637.db2.gz BRJUASKPHGKBSA-UHFFFAOYSA-N 0 0 548.577 3.922 50 0 KHAARN CCOc1ccc(NC(=O)c2c(C(=O)Nc3ccc(C(=O)OC)cc3)sc3nc(C)cc(=O)n32)cc1 ZINC000001906972 551732629 /nfs/dbraw/zinc/73/26/29/551732629.db2.gz DQXGYRNIKOVHNS-UHFFFAOYSA-N 0 0 506.540 3.754 50 0 KHAARN CCOc1ccccc1NC(=O)c1c(C(=O)Nc2ccc(C(=O)OC)cc2)sc2nc(C)cc(=O)n21 ZINC000001906974 551732659 /nfs/dbraw/zinc/73/26/59/551732659.db2.gz GSJVNFRSUWYTHP-UHFFFAOYSA-N 0 0 506.540 3.754 50 0 KHAARN Cc1c(N2C(=O)/C(=C3/c4ccccc4NC3=O)SC2=NN=C2c3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000001909777 551733033 /nfs/dbraw/zinc/73/30/33/551733033.db2.gz QIBQJLVSWYUUKN-CGUJGAIWSA-N 0 0 575.610 3.640 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc3sc(C(=O)Nc4ccccc4OC)c(C)c3c2=O)cc1 ZINC000001915537 551733499 /nfs/dbraw/zinc/73/34/99/551733499.db2.gz CXFJAZQNAFKYOS-UHFFFAOYSA-N 0 0 520.567 3.843 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001917123 551733442 /nfs/dbraw/zinc/73/34/42/551733442.db2.gz SWSIWFWTBFAKCA-OAQYLSRUSA-N 0 0 512.584 3.606 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001917125 551733413 /nfs/dbraw/zinc/73/34/13/551733413.db2.gz SWSIWFWTBFAKCA-NRFANRHFSA-N 0 0 512.584 3.606 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001917156 551733616 /nfs/dbraw/zinc/73/36/16/551733616.db2.gz UHKPINNNQJEJOW-LJQANCHMSA-N 0 0 526.611 3.996 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000001917157 551733635 /nfs/dbraw/zinc/73/36/35/551733635.db2.gz UHKPINNNQJEJOW-IBGZPJMESA-N 0 0 526.611 3.996 50 0 KHAARN COC(=O)c1c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000001917159 551733654 /nfs/dbraw/zinc/73/36/54/551733654.db2.gz PNFCASKXJITWTP-HNAYVOBHSA-N 0 0 526.611 3.852 50 0 KHAARN COC(=O)c1c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000001917160 551733639 /nfs/dbraw/zinc/73/36/39/551733639.db2.gz PNFCASKXJITWTP-DNVCBOLYSA-N 0 0 526.611 3.852 50 0 KHAARN COC(=O)c1c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000001917162 551733652 /nfs/dbraw/zinc/73/36/52/551733652.db2.gz PNFCASKXJITWTP-KXBFYZLASA-N 0 0 526.611 3.852 50 0 KHAARN COC(=O)c1c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000001917163 551733648 /nfs/dbraw/zinc/73/36/48/551733648.db2.gz PNFCASKXJITWTP-BEFAXECRSA-N 0 0 526.611 3.852 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000001917164 551733625 /nfs/dbraw/zinc/73/36/25/551733625.db2.gz UDZNQHUOFSQHNN-OYHNWAKOSA-N 0 0 526.611 3.852 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000001917166 551733650 /nfs/dbraw/zinc/73/36/50/551733650.db2.gz UDZNQHUOFSQHNN-IVZQSRNASA-N 0 0 526.611 3.852 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@H](C)C2 ZINC000001917167 551733657 /nfs/dbraw/zinc/73/36/57/551733657.db2.gz UDZNQHUOFSQHNN-NYHFZMIOSA-N 0 0 526.611 3.852 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CC[C@@H](C)C2 ZINC000001917169 551733619 /nfs/dbraw/zinc/73/36/19/551733619.db2.gz UDZNQHUOFSQHNN-QRQCRPRQSA-N 0 0 526.611 3.852 50 0 KHAARN COC(=O)c1sc(NC(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)nc1C ZINC000001953631 551735543 /nfs/dbraw/zinc/73/55/43/551735543.db2.gz UFQOZEOUZMULJT-UHFFFAOYSA-N 0 0 510.959 3.922 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000002049421 551737230 /nfs/dbraw/zinc/73/72/30/551737230.db2.gz YZZNOQAIEZGNJK-UQTDQPHJSA-N 0 0 539.654 3.645 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000002049423 551737243 /nfs/dbraw/zinc/73/72/43/551737243.db2.gz YZZNOQAIEZGNJK-YHHBSCGTSA-N 0 0 539.654 3.645 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002049433 551737273 /nfs/dbraw/zinc/73/72/73/551737273.db2.gz WVKNSXSHCHVBBD-PGPKDTDWSA-N 0 0 500.020 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002049434 551737270 /nfs/dbraw/zinc/73/72/70/551737270.db2.gz WVKNSXSHCHVBBD-PZNLSKEWSA-N 0 0 500.020 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002049435 551737292 /nfs/dbraw/zinc/73/72/92/551737292.db2.gz WVKNSXSHCHVBBD-SLTDHEAWSA-N 0 0 500.020 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002049436 551737281 /nfs/dbraw/zinc/73/72/81/551737281.db2.gz WVKNSXSHCHVBBD-DJAVKIJBSA-N 0 0 500.020 3.891 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002049596 551737932 /nfs/dbraw/zinc/73/79/32/551737932.db2.gz GGRCHJMHKKFEJV-BDPRQDHOSA-N 0 0 500.576 3.927 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002049598 551737916 /nfs/dbraw/zinc/73/79/16/551737916.db2.gz GGRCHJMHKKFEJV-YPKVGQCMSA-N 0 0 500.576 3.927 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000002049612 551737896 /nfs/dbraw/zinc/73/78/96/551737896.db2.gz VWMHHFAQGILJLV-CMISJSSVSA-N 0 0 541.629 3.987 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000002049614 551737886 /nfs/dbraw/zinc/73/78/86/551737886.db2.gz VWMHHFAQGILJLV-DBXPASCUSA-N 0 0 541.629 3.987 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000002049628 551737925 /nfs/dbraw/zinc/73/79/25/551737925.db2.gz JLEBEJBLYPAJAV-KICLSGDVSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000002049630 551737903 /nfs/dbraw/zinc/73/79/03/551737903.db2.gz JLEBEJBLYPAJAV-QMGPDGHTSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000002049635 551737920 /nfs/dbraw/zinc/73/79/20/551737920.db2.gz GENPOTOBTTXZJG-FGSNJIQSSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000002049637 551737906 /nfs/dbraw/zinc/73/79/06/551737906.db2.gz GENPOTOBTTXZJG-LMTOTAIGSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000002049643 551738110 /nfs/dbraw/zinc/73/81/10/551738110.db2.gz UJSYMKCEAZQHFK-FBRKSOCZSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000002049645 551738117 /nfs/dbraw/zinc/73/81/17/551738117.db2.gz UJSYMKCEAZQHFK-ZPVURNRZSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 ZINC000002051433 551738755 /nfs/dbraw/zinc/73/87/55/551738755.db2.gz UOCGVQLJQAZWGC-ZBDCHNAPSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 ZINC000002051435 551738797 /nfs/dbraw/zinc/73/87/97/551738797.db2.gz UOCGVQLJQAZWGC-HDMRQQGGSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002058248 551740625 /nfs/dbraw/zinc/74/06/25/551740625.db2.gz BDYVYHJHAHLIOO-OLROSQPISA-N 0 0 563.857 3.928 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002058250 551740613 /nfs/dbraw/zinc/74/06/13/551740613.db2.gz BDYVYHJHAHLIOO-ZMUHTPIZSA-N 0 0 563.857 3.928 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000002058565 551740691 /nfs/dbraw/zinc/74/06/91/551740691.db2.gz OJXJFHGWKNZSAB-IUONRESQSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000002058926 551741065 /nfs/dbraw/zinc/74/10/65/551741065.db2.gz QVMFUNWXHFCFAW-VZIOXZNFSA-N 0 0 555.450 3.795 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000002058928 551741019 /nfs/dbraw/zinc/74/10/19/551741019.db2.gz QVMFUNWXHFCFAW-QCHPHUCNSA-N 0 0 555.450 3.795 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002059865 551741681 /nfs/dbraw/zinc/74/16/81/551741681.db2.gz JDSMKIZORSYWDD-QQYUXEJHSA-N 0 0 529.662 3.833 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002059867 551741679 /nfs/dbraw/zinc/74/16/79/551741679.db2.gz JDSMKIZORSYWDD-MYXKAAJQSA-N 0 0 529.662 3.833 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059909 551741974 /nfs/dbraw/zinc/74/19/74/551741974.db2.gz CPVMCUKYPPSAOT-RKKARLDVSA-N 0 0 522.026 3.579 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059911 551741965 /nfs/dbraw/zinc/74/19/65/551741965.db2.gz CPVMCUKYPPSAOT-VFJWVMJUSA-N 0 0 522.026 3.579 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002059980 551741980 /nfs/dbraw/zinc/74/19/80/551741980.db2.gz BPBNDMSJTAUIAH-SJJVXOANSA-N 0 0 512.587 3.877 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002059982 551741994 /nfs/dbraw/zinc/74/19/94/551741994.db2.gz BPBNDMSJTAUIAH-GTWFGUSFSA-N 0 0 512.587 3.877 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 ZINC000002060173 551741936 /nfs/dbraw/zinc/74/19/36/551741936.db2.gz NUALRSAPABLZSJ-SFQUDFHCSA-N 0 0 506.403 3.568 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002060474 551741968 /nfs/dbraw/zinc/74/19/68/551741968.db2.gz KARUYJAXFJEJNA-DLBLZJNESA-N 0 0 504.608 3.631 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002060476 551742002 /nfs/dbraw/zinc/74/20/02/551742002.db2.gz KARUYJAXFJEJNA-FCKOQQNDSA-N 0 0 504.608 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002060490 551742149 /nfs/dbraw/zinc/74/21/49/551742149.db2.gz WTGRYZFHZMWJOO-SJJVXOANSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002060492 551742122 /nfs/dbraw/zinc/74/21/22/551742122.db2.gz WTGRYZFHZMWJOO-GTWFGUSFSA-N 0 0 514.603 3.969 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063851 551744546 /nfs/dbraw/zinc/74/45/46/551744546.db2.gz BLHLUAALQYKSLQ-UGUGFTGJSA-N 0 0 536.053 3.969 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063853 551744544 /nfs/dbraw/zinc/74/45/44/551744544.db2.gz BLHLUAALQYKSLQ-FEYWKWKCSA-N 0 0 536.053 3.969 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063914 551744853 /nfs/dbraw/zinc/74/48/53/551744853.db2.gz IYCXXGZQKOITAP-RKKARLDVSA-N 0 0 522.026 3.579 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063916 551744863 /nfs/dbraw/zinc/74/48/63/551744863.db2.gz IYCXXGZQKOITAP-VFJWVMJUSA-N 0 0 522.026 3.579 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063934 551744848 /nfs/dbraw/zinc/74/48/48/551744848.db2.gz COBWFSWXDCAOBO-RKKARLDVSA-N 0 0 522.026 3.579 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063936 551744807 /nfs/dbraw/zinc/74/48/07/551744807.db2.gz COBWFSWXDCAOBO-VFJWVMJUSA-N 0 0 522.026 3.579 50 0 KHAARN CCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068180 551746080 /nfs/dbraw/zinc/74/60/80/551746080.db2.gz GCBLYBIXWJRUSH-WSUXWNOTSA-N 0 0 533.216 3.845 50 0 KHAARN CC(C)OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068189 551746099 /nfs/dbraw/zinc/74/60/99/551746099.db2.gz LTKWLLUZCITULY-NAMINWQUSA-N 0 0 533.216 3.843 50 0 KHAARN CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068190 551746102 /nfs/dbraw/zinc/74/61/02/551746102.db2.gz LTKWLLUZCITULY-MGAZVUHYSA-N 0 0 533.216 3.843 50 0 KHAARN CC(C)OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068192 551746087 /nfs/dbraw/zinc/74/60/87/551746087.db2.gz LTKWLLUZCITULY-WSUXWNOTSA-N 0 0 533.216 3.843 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002070812 551746913 /nfs/dbraw/zinc/74/69/13/551746913.db2.gz VONDJZVQGJLFTP-YOGOOIESSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002070814 551746937 /nfs/dbraw/zinc/74/69/37/551746937.db2.gz VONDJZVQGJLFTP-WQLLJXGDSA-N 0 0 561.841 3.943 50 0 KHAARN O=C1N=C(N2CCN(C3=NC(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000002071285 551747377 /nfs/dbraw/zinc/74/73/77/551747377.db2.gz QLBQABXBCHLAEF-AXPXABNXSA-N 0 0 550.578 3.761 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002075558 551749694 /nfs/dbraw/zinc/74/96/94/551749694.db2.gz HMHGXAMYDAIVFV-SJJVXOANSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002075560 551749716 /nfs/dbraw/zinc/74/97/16/551749716.db2.gz HMHGXAMYDAIVFV-GTWFGUSFSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002076267 551750196 /nfs/dbraw/zinc/75/01/96/551750196.db2.gz ZDXSRHCBFFPPMZ-YOURIZNBSA-N 0 0 526.998 3.579 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002076269 551750185 /nfs/dbraw/zinc/75/01/85/551750185.db2.gz ZDXSRHCBFFPPMZ-GSOQPGDSSA-N 0 0 526.998 3.579 50 0 KHAARN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc(O)cc1 ZINC000002078543 551750567 /nfs/dbraw/zinc/75/05/67/551750567.db2.gz ZVBCJZPPCFDOID-QQNJPBSNSA-N 0 0 503.352 3.730 50 0 KHAARN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21)Nc1ccc(O)cc1 ZINC000002078544 551750578 /nfs/dbraw/zinc/75/05/78/551750578.db2.gz ZVBCJZPPCFDOID-FGEXJBCWSA-N 0 0 503.352 3.730 50 0 KHAARN O=C(CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc(O)cc1 ZINC000002078545 551750577 /nfs/dbraw/zinc/75/05/77/551750577.db2.gz ZVBCJZPPCFDOID-VUUXHMSQSA-N 0 0 503.352 3.730 50 0 KHAARN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)Nc1ccc(O)cc1 ZINC000002078546 551750558 /nfs/dbraw/zinc/75/05/58/551750558.db2.gz ZVBCJZPPCFDOID-ZQFKLAOWSA-N 0 0 503.352 3.730 50 0 KHAARN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002080340 551751299 /nfs/dbraw/zinc/75/12/99/551751299.db2.gz UCHGPHNXOCDKOS-ZDQFFALBSA-N 0 0 527.577 3.800 50 0 KHAARN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2)cc1 ZINC000002091189 551758636 /nfs/dbraw/zinc/75/86/36/551758636.db2.gz WPBKCNXHRWUXTE-PZJWPPBQSA-N 0 0 507.612 3.697 50 0 biogenic KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N23)cc1 ZINC000002091642 551758869 /nfs/dbraw/zinc/75/88/69/551758869.db2.gz JJEBPVPWQLCYMF-RBJSKKJNSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N32)cc1 ZINC000002091643 551758867 /nfs/dbraw/zinc/75/88/67/551758867.db2.gz JJEBPVPWQLCYMF-CUBQBAPOSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN CC(C)[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(Br)cc1F ZINC000002093127 551759772 /nfs/dbraw/zinc/75/97/72/551759772.db2.gz YQJHENWNYCITAG-WIEQDCTASA-N 0 0 505.388 3.542 50 0 biogenic KHAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc(OC)c1OC ZINC000002093300 551759722 /nfs/dbraw/zinc/75/97/22/551759722.db2.gz AWFYWFABSGPVAC-RLWLMLJZSA-N 0 0 501.539 3.672 50 0 biogenic KHAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc(OC)c1OC ZINC000002093302 551759789 /nfs/dbraw/zinc/75/97/89/551759789.db2.gz AWFYWFABSGPVAC-QFQXNSOFSA-N 0 0 501.539 3.672 50 0 biogenic KHAARN COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000002094046 551760079 /nfs/dbraw/zinc/76/00/79/551760079.db2.gz BUFTVOUMQUPOCR-GOSISDBHSA-N 0 0 514.600 3.794 50 0 KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N23)cc1 ZINC000002094159 551760307 /nfs/dbraw/zinc/76/03/07/551760307.db2.gz MYSLWAXOJWKEKO-LITSAYRRSA-N 0 0 523.589 3.891 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N32)cc1 ZINC000002094161 551760310 /nfs/dbraw/zinc/76/03/10/551760310.db2.gz MYSLWAXOJWKEKO-WNJJXGMVSA-N 0 0 523.589 3.891 50 0 biogenic KHAARN CSCC[C@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002096186 551761694 /nfs/dbraw/zinc/76/16/94/551761694.db2.gz LOTPLMLZCOMDJV-GJYPPUQNSA-N 0 0 524.565 3.636 50 0 biogenic KHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000002096435 551761921 /nfs/dbraw/zinc/76/19/21/551761921.db2.gz PNYXDELSVXODEJ-JLTOFOAXSA-N 0 0 509.740 3.918 50 0 KHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000002096436 551761876 /nfs/dbraw/zinc/76/18/76/551761876.db2.gz PNYXDELSVXODEJ-VLIAUNLRSA-N 0 0 509.740 3.918 50 0 KHAARN COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)c1 ZINC000002099046 551762000 /nfs/dbraw/zinc/76/20/00/551762000.db2.gz DVSZSQBSNVYRQJ-IADCTJSHSA-N 0 0 525.561 3.799 50 0 biogenic KHAARN COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)c1 ZINC000002099048 551762009 /nfs/dbraw/zinc/76/20/09/551762009.db2.gz DVSZSQBSNVYRQJ-MUAVYFROSA-N 0 0 525.561 3.799 50 0 biogenic KHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(=O)c2c(O)c(-c3ccc4c(c3)OCCO4)coc-2c1 ZINC000002099651 551762022 /nfs/dbraw/zinc/76/20/22/551762022.db2.gz VUOFIHCZMOIBFY-HSZRJFAPSA-N 0 0 570.554 3.697 50 0 biogenic KHAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc(OC)c1OC ZINC000002104117 551762500 /nfs/dbraw/zinc/76/25/00/551762500.db2.gz XGVSDKHAGBJDAS-AWEZNQCLSA-N 0 0 523.542 3.693 50 0 biogenic KHAARN COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc(OC)c1OC ZINC000002104119 551762503 /nfs/dbraw/zinc/76/25/03/551762503.db2.gz XGVSDKHAGBJDAS-CQSZACIVSA-N 0 0 523.542 3.693 50 0 biogenic KHAARN COc1ccc(CNC(=O)C(C(=O)NCc2ccc(OC)c(OC)c2)=C2NC(C)(C)Cc3ccccc32)cc1OC ZINC000002106012 551763692 /nfs/dbraw/zinc/76/36/92/551763692.db2.gz DYZPLXKVNCGEJN-UHFFFAOYSA-N 0 0 559.663 3.989 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002106167 551763938 /nfs/dbraw/zinc/76/39/38/551763938.db2.gz LDGCVWUULGWOLA-SJJVXOANSA-N 0 0 528.634 3.609 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002106173 551763947 /nfs/dbraw/zinc/76/39/47/551763947.db2.gz LDGCVWUULGWOLA-GTWFGUSFSA-N 0 0 528.634 3.609 50 0 KHAARN COCCOC(=O)c1sc(NC(=O)CSc2ncnc3sc(C)c(C)c32)c(C(=O)OC)c1C ZINC000002106969 551764555 /nfs/dbraw/zinc/76/45/55/551764555.db2.gz HTQYCIWAEYAHCJ-UHFFFAOYSA-N 0 0 509.631 3.999 50 0 KHAARN COCCOC(=O)c1sc(NC(=O)CSc2nnc3cc(C)c4ccccc4n32)c(C(=O)OC)c1C ZINC000002106971 551764505 /nfs/dbraw/zinc/76/45/05/551764505.db2.gz JUZYYFLFSWBEDS-UHFFFAOYSA-N 0 0 528.612 3.881 50 0 KHAARN COCCOC(=O)c1sc(NC(=O)CSc2nnc3sc4ccccc4n23)c(C(=O)OC)c1C ZINC000002106972 551764563 /nfs/dbraw/zinc/76/45/63/551764563.db2.gz FNOHQQUPNYXXAX-UHFFFAOYSA-N 0 0 520.614 3.635 50 0 KHAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000002107490 551764741 /nfs/dbraw/zinc/76/47/41/551764741.db2.gz UDSSEULJERKNEL-UHFFFAOYSA-N 0 0 538.651 4.000 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002107545 551764724 /nfs/dbraw/zinc/76/47/24/551764724.db2.gz UUHVDKLPINKQBB-GJFKPFFXSA-N 0 0 516.598 3.740 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002107549 551764735 /nfs/dbraw/zinc/76/47/35/551764735.db2.gz UUHVDKLPINKQBB-LWUPDDLQSA-N 0 0 516.598 3.740 50 0 KHAARN CCCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(I)cnn1C)C[C@@H](C)CC2 ZINC000002111031 551767087 /nfs/dbraw/zinc/76/70/87/551767087.db2.gz XMUHKZXPSINUBB-JTQLQIEISA-N 0 0 546.456 3.905 50 0 KHAARN CCCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(I)cnn1C)C[C@H](C)CC2 ZINC000002111033 551767110 /nfs/dbraw/zinc/76/71/10/551767110.db2.gz XMUHKZXPSINUBB-SNVBAGLBSA-N 0 0 546.456 3.905 50 0 KHAARN Cc1c2ccc(OCC(=O)NCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000002111227 551767269 /nfs/dbraw/zinc/76/72/69/551767269.db2.gz ZAJTZQFGVBCTKF-SLGOVJDISA-N 0 0 532.637 3.731 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N32)cc1 ZINC000002112451 551768292 /nfs/dbraw/zinc/76/82/92/551768292.db2.gz CJCICZCUARNRHC-FIPFOOKPSA-N 0 0 523.545 3.568 50 0 biogenic KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)CC(=O)N23)cc1 ZINC000002112453 551768259 /nfs/dbraw/zinc/76/82/59/551768259.db2.gz CJCICZCUARNRHC-NEKDWFFYSA-N 0 0 523.545 3.568 50 0 biogenic KHAARN COc1ccccc1C(=O)N(C(=O)c1ccccc1OC)N1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000002115328 551769286 /nfs/dbraw/zinc/76/92/86/551769286.db2.gz RRSPMXGQVLFZHI-DEOSSOPVSA-N 0 0 566.614 3.914 50 0 biogenic KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc(F)cc1)c2=O ZINC000002116091 551769379 /nfs/dbraw/zinc/76/93/79/551769379.db2.gz LYRSXUHAWHKWSO-HSZRJFAPSA-N 0 0 505.498 3.892 50 0 biogenic KHAARN COc1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(OC)c(OC)c3)s2)cc1OC ZINC000002118322 551769831 /nfs/dbraw/zinc/76/98/31/551769831.db2.gz VBXMSQIQZCVSLZ-UHFFFAOYSA-N 0 0 504.590 3.743 50 0 KHAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002119390 551769802 /nfs/dbraw/zinc/76/98/02/551769802.db2.gz SNOHKUOVOVOBSB-FFWRNVBBSA-N 0 0 568.674 3.912 50 0 biogenic KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(OC)c(OC)c4)CC(=O)N23)cc1 ZINC000002119660 551770084 /nfs/dbraw/zinc/77/00/84/551770084.db2.gz MVUWBZIYDJBNGG-PWUYWRBVSA-N 0 0 539.588 3.857 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(OC)c(OC)c4)CC(=O)N32)cc1 ZINC000002119662 551770056 /nfs/dbraw/zinc/77/00/56/551770056.db2.gz MVUWBZIYDJBNGG-OUTSHDOLSA-N 0 0 539.588 3.857 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120428 551770220 /nfs/dbraw/zinc/77/02/20/551770220.db2.gz OVGVMOCFORTJIA-BDPRQDHOSA-N 0 0 521.639 3.780 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120431 551770207 /nfs/dbraw/zinc/77/02/07/551770207.db2.gz OVGVMOCFORTJIA-YPKVGQCMSA-N 0 0 521.639 3.780 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120443 551770209 /nfs/dbraw/zinc/77/02/09/551770209.db2.gz WEHPTVDQEYQQBK-AFHVAHMMSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120449 551770183 /nfs/dbraw/zinc/77/01/83/551770183.db2.gz WEHPTVDQEYQQBK-ZRELAVNMSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120506 551770245 /nfs/dbraw/zinc/77/02/45/551770245.db2.gz YPVLMBMLALLECW-MFUBYVTQSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120510 551770495 /nfs/dbraw/zinc/77/04/95/551770495.db2.gz YPVLMBMLALLECW-RWTNITNYSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120533 551770503 /nfs/dbraw/zinc/77/05/03/551770503.db2.gz CIGRVKKRJYAHLS-WLJFKGHSSA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120538 551770484 /nfs/dbraw/zinc/77/04/84/551770484.db2.gz CIGRVKKRJYAHLS-VLOXRPPESA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002120753 551770457 /nfs/dbraw/zinc/77/04/57/551770457.db2.gz BPEQQUKBWXWCKT-PNZYDNNZSA-N 0 0 547.633 3.614 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002120758 551770510 /nfs/dbraw/zinc/77/05/10/551770510.db2.gz BPEQQUKBWXWCKT-RUZDIDTESA-N 0 0 547.633 3.614 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002121472 551770879 /nfs/dbraw/zinc/77/08/79/551770879.db2.gz QWPWUGFPQUSOFT-YOGOOIESSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002121477 551770872 /nfs/dbraw/zinc/77/08/72/551770872.db2.gz QWPWUGFPQUSOFT-WQLLJXGDSA-N 0 0 561.841 3.943 50 0 KHAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N32)cc1OC ZINC000002122402 551771051 /nfs/dbraw/zinc/77/10/51/551771051.db2.gz TVWGKFXOPKOATQ-QRQMUESOSA-N 0 0 525.605 3.994 50 0 biogenic KHAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N23)cc1OC ZINC000002122403 551771003 /nfs/dbraw/zinc/77/10/03/551771003.db2.gz TVWGKFXOPKOATQ-SAGWHXFDSA-N 0 0 525.605 3.994 50 0 biogenic KHAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N32)cc1OC ZINC000002122405 551771061 /nfs/dbraw/zinc/77/10/61/551771061.db2.gz TVWGKFXOPKOATQ-FVXXUCQHSA-N 0 0 525.605 3.994 50 0 biogenic KHAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N23)cc1OC ZINC000002122407 551771054 /nfs/dbraw/zinc/77/10/54/551771054.db2.gz TVWGKFXOPKOATQ-NHWZYIIXSA-N 0 0 525.605 3.994 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002124660 551771634 /nfs/dbraw/zinc/77/16/34/551771634.db2.gz BEZNYCOOIVTKGY-GJFKPFFXSA-N 0 0 579.078 3.963 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002124665 551771654 /nfs/dbraw/zinc/77/16/54/551771654.db2.gz BEZNYCOOIVTKGY-LWUPDDLQSA-N 0 0 579.078 3.963 50 0 KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccc(OC)c4)CC(=O)N23)cc1 ZINC000002125205 551771850 /nfs/dbraw/zinc/77/18/50/551771850.db2.gz KVBGDUJHHDOEQI-LBNVMWSVSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4cccc(OC)c4)CC(=O)N32)cc1 ZINC000002125208 551771895 /nfs/dbraw/zinc/77/18/95/551771895.db2.gz KVBGDUJHHDOEQI-LSYYVWMOSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002125717 551771883 /nfs/dbraw/zinc/77/18/83/551771883.db2.gz CPIGFNKOOJIZOY-HCWVEKLQSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002125722 551771892 /nfs/dbraw/zinc/77/18/92/551771892.db2.gz CPIGFNKOOJIZOY-UXAZKMGBSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002125729 551771841 /nfs/dbraw/zinc/77/18/41/551771841.db2.gz YYUFKXDNNHNVFJ-QPWQWLJXSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002125734 551771846 /nfs/dbraw/zinc/77/18/46/551771846.db2.gz YYUFKXDNNHNVFJ-ZYSRDMNZSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002125739 551771866 /nfs/dbraw/zinc/77/18/66/551771866.db2.gz ZXDWMRMETRFEQU-FGSNJIQSSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002125745 551771853 /nfs/dbraw/zinc/77/18/53/551771853.db2.gz ZXDWMRMETRFEQU-LMTOTAIGSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002125750 551771859 /nfs/dbraw/zinc/77/18/59/551771859.db2.gz HQLWZAAPKQUHCO-QFDNUGPTSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002125755 551771830 /nfs/dbraw/zinc/77/18/30/551771830.db2.gz HQLWZAAPKQUHCO-MZANGIHLSA-N 0 0 570.623 3.682 50 0 KHAARN COc1ccc2c(c1)[C@@H]1CN(C(=O)CN3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000002129372 551772404 /nfs/dbraw/zinc/77/24/04/551772404.db2.gz RQHUJPUEXQLHJP-PIZZNKLWSA-N 0 0 536.632 3.701 50 0 biogenic KHAARN COc1cc(OC)c(NC(=O)[C@H](CC(C)C)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1Cl ZINC000002130815 551772619 /nfs/dbraw/zinc/77/26/19/551772619.db2.gz MECMKPWWZQRFON-UWVAXJGDSA-N 0 0 517.026 3.701 50 0 biogenic KHAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000002131748 551772850 /nfs/dbraw/zinc/77/28/50/551772850.db2.gz SMOQRYGCGRTZCB-CTNGQTDRSA-N 0 0 543.646 3.991 50 0 KHAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(Cl)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000002134512 551773285 /nfs/dbraw/zinc/77/32/85/551773285.db2.gz WKUKGVKEJAITGE-INEJIFKHSA-N 0 0 559.066 3.995 50 0 biogenic KHAARN Cc1ccc(OCC(=O)NC[C@@H](C)NC(=O)COc2ccc(C)cc2Br)c(Br)c1 ZINC000002134572 551773261 /nfs/dbraw/zinc/77/32/61/551773261.db2.gz FBZCNVGUJJOAQK-OAHLLOKOSA-N 0 0 528.241 3.907 50 0 KHAARN Cc1ccc(OCC(=O)NC[C@H](C)NC(=O)COc2ccc(C)cc2Br)c(Br)c1 ZINC000002134574 551773294 /nfs/dbraw/zinc/77/32/94/551773294.db2.gz FBZCNVGUJJOAQK-HNNXBMFYSA-N 0 0 528.241 3.907 50 0 KHAARN Cc1cc(Br)ccc1OCC(=O)NCCNC(=O)COc1ccc(Br)cc1C ZINC000002135219 551773534 /nfs/dbraw/zinc/77/35/34/551773534.db2.gz IKBIDPLTOBTDHH-UHFFFAOYSA-N 0 0 514.214 3.519 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)cc1 ZINC000002135755 551773659 /nfs/dbraw/zinc/77/36/59/551773659.db2.gz LUNGCXFOAVQVNC-UHFFFAOYSA-N 0 0 510.391 3.978 50 0 KHAARN O=C(N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000002137316 551773878 /nfs/dbraw/zinc/77/38/78/551773878.db2.gz WJOWJRIBZLYVDQ-XEKQOVJPSA-N 0 0 534.296 3.922 50 0 biogenic KHAARN O=C(N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000002137317 551773863 /nfs/dbraw/zinc/77/38/63/551773863.db2.gz WJOWJRIBZLYVDQ-QUJCMNEKSA-N 0 0 534.296 3.922 50 0 biogenic KHAARN COc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cccc4ccccc43)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139210 551774420 /nfs/dbraw/zinc/77/44/20/551774420.db2.gz NHYNHBHHRRLDCE-HLBJECCASA-N 0 0 576.653 3.941 50 0 biogenic KHAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cccc4ccccc43)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139212 551774389 /nfs/dbraw/zinc/77/43/89/551774389.db2.gz NHYNHBHHRRLDCE-GSMFYCGBSA-N 0 0 576.653 3.941 50 0 biogenic KHAARN CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002139479 551774634 /nfs/dbraw/zinc/77/46/34/551774634.db2.gz FFXRJMBKRMFLEQ-RNDKRWLGSA-N 0 0 568.674 3.741 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000002139711 551774657 /nfs/dbraw/zinc/77/46/57/551774657.db2.gz PILIPORTTPKCQO-SJJVXOANSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000002139716 551774564 /nfs/dbraw/zinc/77/45/64/551774564.db2.gz PILIPORTTPKCQO-GTWFGUSFSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000002139731 551774562 /nfs/dbraw/zinc/77/45/62/551774562.db2.gz BZQHHDHVMMFOGE-GJFKPFFXSA-N 0 0 546.576 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000002139736 551774567 /nfs/dbraw/zinc/77/45/67/551774567.db2.gz BZQHHDHVMMFOGE-LWUPDDLQSA-N 0 0 546.576 3.984 50 0 KHAARN O=C(N[C@@H](NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000002140263 551774881 /nfs/dbraw/zinc/77/48/81/551774881.db2.gz HEXYBRJMLVMRGX-PJFSTRORSA-N 0 0 534.296 3.922 50 0 biogenic KHAARN Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000002142850 551774971 /nfs/dbraw/zinc/77/49/71/551774971.db2.gz QPCQKZJOFPBFMO-UHFFFAOYSA-N 0 0 522.656 3.981 50 0 KHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000002143496 551775614 /nfs/dbraw/zinc/77/56/14/551775614.db2.gz QJBYQFIVLVNNKQ-OAHLLOKOSA-N 0 0 526.688 3.867 50 0 KHAARN CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@H](C)NC(=O)c1cccc(C)c1 ZINC000002143500 551775590 /nfs/dbraw/zinc/77/55/90/551775590.db2.gz QJBYQFIVLVNNKQ-HNNXBMFYSA-N 0 0 526.688 3.867 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OCC)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148416 551776951 /nfs/dbraw/zinc/77/69/51/551776951.db2.gz QBKGUJVZBUZVMZ-PRWBYUBPSA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OCC)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000002148419 551776929 /nfs/dbraw/zinc/77/69/29/551776929.db2.gz QBKGUJVZBUZVMZ-JAORQVBISA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OCC)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000002148425 551776942 /nfs/dbraw/zinc/77/69/42/551776942.db2.gz QBKGUJVZBUZVMZ-SRKIZSPNSA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OCC)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000002148428 551776892 /nfs/dbraw/zinc/77/68/92/551776892.db2.gz QBKGUJVZBUZVMZ-JCAJYURWSA-N 0 0 543.439 3.665 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000002148859 551777474 /nfs/dbraw/zinc/77/74/74/551777474.db2.gz XDQUSFYHTMYCCS-SATIQFTFSA-N 0 0 553.571 3.658 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002149269 551777524 /nfs/dbraw/zinc/77/75/24/551777524.db2.gz IZVDMOAHXRITKV-AREMUKBSSA-N 0 0 559.669 3.877 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000002149281 551777519 /nfs/dbraw/zinc/77/75/19/551777519.db2.gz IZVDMOAHXRITKV-VFHYMGCCSA-N 0 0 559.669 3.877 50 0 KHAARN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002149331 551777557 /nfs/dbraw/zinc/77/75/57/551777557.db2.gz CWWJSEGCCZBEOE-MGLROVIISA-N 0 0 516.682 3.783 50 0 biogenic KHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002150732 551778126 /nfs/dbraw/zinc/77/81/26/551778126.db2.gz XNFZKNNHRDFVAK-SLSDLSHTSA-N 0 0 500.599 3.626 50 0 biogenic KHAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(OC)cc4)CC(=O)N23)cc1 ZINC000002151854 551778808 /nfs/dbraw/zinc/77/88/08/551778808.db2.gz NJHDHANONSKYPH-LBNVMWSVSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccc(OC)cc4)CC(=O)N32)cc1 ZINC000002151857 551778795 /nfs/dbraw/zinc/77/87/95/551778795.db2.gz NJHDHANONSKYPH-LSYYVWMOSA-N 0 0 509.562 3.848 50 0 biogenic KHAARN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000002154924 551779563 /nfs/dbraw/zinc/77/95/63/551779563.db2.gz PMAQJRHBKWXYAB-WDONWYDGSA-N 0 0 549.674 3.686 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002156881 551779902 /nfs/dbraw/zinc/77/99/02/551779902.db2.gz RTGVNSJVPGCCRD-ZDZYTSRMSA-N 0 0 542.613 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002156888 551779899 /nfs/dbraw/zinc/77/98/99/551779899.db2.gz RTGVNSJVPGCCRD-CJIXEESDSA-N 0 0 542.613 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002156913 551779870 /nfs/dbraw/zinc/77/98/70/551779870.db2.gz RIUJPXNAPVQPIW-JUTHHCEFSA-N 0 0 508.621 3.557 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002156921 551779913 /nfs/dbraw/zinc/77/99/13/551779913.db2.gz RIUJPXNAPVQPIW-VVOOWDFBSA-N 0 0 508.621 3.557 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccccc1 ZINC000002156987 551779885 /nfs/dbraw/zinc/77/98/85/551779885.db2.gz DYVWALVFMCPMLS-QFDNUGPTSA-N 0 0 524.598 3.973 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccccc1 ZINC000002156995 551779867 /nfs/dbraw/zinc/77/98/67/551779867.db2.gz DYVWALVFMCPMLS-MZANGIHLSA-N 0 0 524.598 3.973 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002157001 551779873 /nfs/dbraw/zinc/77/98/73/551779873.db2.gz RHJKBITXMMEOLZ-KYRGTEIWSA-N 0 0 554.624 3.981 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162599 551780996 /nfs/dbraw/zinc/78/09/96/551780996.db2.gz DJEICCSJYYTCQF-OFCKJYIJSA-N 0 0 510.571 3.664 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162602 551781014 /nfs/dbraw/zinc/78/10/14/551781014.db2.gz DJEICCSJYYTCQF-IBYCJETLSA-N 0 0 510.571 3.664 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162638 551780994 /nfs/dbraw/zinc/78/09/94/551780994.db2.gz SQMANVZIACNFHD-KYRGTEIWSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162644 551780981 /nfs/dbraw/zinc/78/09/81/551780981.db2.gz SQMANVZIACNFHD-NKYAOSOXSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162650 551781019 /nfs/dbraw/zinc/78/10/19/551781019.db2.gz NVHCGJYYIFFKON-FSFYKJEYSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162655 551781002 /nfs/dbraw/zinc/78/10/02/551781002.db2.gz NVHCGJYYIFFKON-ZUCAMLDZSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162710 1066880207 /nfs/dbraw/zinc/88/02/07/1066880207.db2.gz TVDCQWPRXGPIFZ-QFDNUGPTSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162714 1066880140 /nfs/dbraw/zinc/88/01/40/1066880140.db2.gz TVDCQWPRXGPIFZ-MZANGIHLSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162738 1066880187 /nfs/dbraw/zinc/88/01/87/1066880187.db2.gz HTROSEDEIVLMAZ-LKWZWFHSSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162742 1066880182 /nfs/dbraw/zinc/88/01/82/1066880182.db2.gz HTROSEDEIVLMAZ-KLKBWYFJSA-N 0 0 540.597 3.673 50 0 KHAARN CC(C)OC(=O)CN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)C1=O ZINC000002163751 551781342 /nfs/dbraw/zinc/78/13/42/551781342.db2.gz QDEWOPWWYXXCOI-AFPJDJCSSA-N 0 0 521.551 3.997 50 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NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 ZINC000002225123 551796848 /nfs/dbraw/zinc/79/68/48/551796848.db2.gz FVGONKWFVZGYKY-UHFFFAOYSA-N 0 0 545.440 3.526 50 0 KHAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(C)(C)OC3 ZINC000002225382 551796818 /nfs/dbraw/zinc/79/68/18/551796818.db2.gz QZIUOQXAVIQRFP-HNNXBMFYSA-N 0 0 511.673 3.724 50 0 KHAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(C)(C)OC3 ZINC000002225383 551796815 /nfs/dbraw/zinc/79/68/15/551796815.db2.gz QZIUOQXAVIQRFP-OAHLLOKOSA-N 0 0 511.673 3.724 50 0 KHAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000002230705 551797569 /nfs/dbraw/zinc/79/75/69/551797569.db2.gz GCOAZBKRJLGGAY-DSNGMDLFSA-N 0 0 548.592 3.870 50 0 KHAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000002230707 551797561 /nfs/dbraw/zinc/79/75/61/551797561.db2.gz GCOAZBKRJLGGAY-DSITVLBTSA-N 0 0 548.592 3.870 50 0 KHAARN COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccc(I)cn1 ZINC000002230988 551797551 /nfs/dbraw/zinc/79/75/51/551797551.db2.gz NKIRHKCNAOJFOI-FARCUNLSSA-N 0 0 518.174 3.984 50 0 KHAARN COc1ccc(CCNC(=O)c2c(N)n(-c3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1OC ZINC000002236443 552082506 /nfs/dbraw/zinc/08/25/06/552082506.db2.gz JBSLCTGDTDEAIB-UHFFFAOYSA-N 0 0 511.538 3.874 50 0 KHAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2-c2ccccc2)cc1 ZINC000002237101 552082926 /nfs/dbraw/zinc/08/29/26/552082926.db2.gz TYXFPZXGFFKSRT-UHFFFAOYSA-N 0 0 509.613 3.533 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 ZINC000002241222 551799144 /nfs/dbraw/zinc/79/91/44/551799144.db2.gz JBNGFXWJKGUKSM-UHFFFAOYSA-N 0 0 534.019 3.530 50 0 KHAARN COc1cc(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc(OC)c1OC ZINC000002245597 551799591 /nfs/dbraw/zinc/79/95/91/551799591.db2.gz JDNMPPWLOOGVFL-UHFFFAOYSA-N 0 0 527.537 3.840 50 0 KHAARN CCCCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1OC ZINC000002247610 551800304 /nfs/dbraw/zinc/80/03/04/551800304.db2.gz HJISCQJTUFRLPD-ULJHMMPZSA-N 0 0 507.612 3.626 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(F)cccc4Cl)c(=O)n32)cc1 ZINC000002248642 551800726 /nfs/dbraw/zinc/80/07/26/551800726.db2.gz GIDYJVQACGCOOT-ZRELAVNMSA-N 0 0 500.979 3.988 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4c(F)cccc4Cl)c(=O)n32)cc1 ZINC000002248644 551800718 /nfs/dbraw/zinc/80/07/18/551800718.db2.gz GIDYJVQACGCOOT-AFHVAHMMSA-N 0 0 500.979 3.988 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5cccc(Br)c5)o4)sc3nc2=O)cc1 ZINC000002250129 551801269 /nfs/dbraw/zinc/80/12/69/551801269.db2.gz ZUJCTEKYYQHNFB-BKUYFWCQSA-N 0 0 522.380 3.681 50 0 KHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(I)cc3)N2C1=O ZINC000002250229 551801576 /nfs/dbraw/zinc/80/15/76/551801576.db2.gz JUOZNHZMPYZZPQ-HOCLYGCPSA-N 0 0 500.358 3.520 50 0 KHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(I)cc3)N2C1=O ZINC000002250230 551801578 /nfs/dbraw/zinc/80/15/78/551801578.db2.gz JUOZNHZMPYZZPQ-ZBFHGGJFSA-N 0 0 500.358 3.520 50 0 KHAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(I)cc3)N2C1=O ZINC000002250231 551801584 /nfs/dbraw/zinc/80/15/84/551801584.db2.gz JUOZNHZMPYZZPQ-GOEBONIOSA-N 0 0 500.358 3.520 50 0 KHAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(I)cc3)N2C1=O ZINC000002250232 551801527 /nfs/dbraw/zinc/80/15/27/551801527.db2.gz JUOZNHZMPYZZPQ-GDBMZVCRSA-N 0 0 500.358 3.520 50 0 KHAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCNC(=O)c1ccc(Br)o1 ZINC000002252110 551801723 /nfs/dbraw/zinc/80/17/23/551801723.db2.gz ATYWROOPWGIBAW-UHFFFAOYSA-N 0 0 540.399 3.785 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002252877 551801750 /nfs/dbraw/zinc/80/17/50/551801750.db2.gz QGEJPTXXFKOFQK-JOCHJYFZSA-N 0 0 510.974 3.938 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002252878 551801949 /nfs/dbraw/zinc/80/19/49/551801949.db2.gz QGEJPTXXFKOFQK-QFIPXVFZSA-N 0 0 510.974 3.938 50 0 KHAARN Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002255231 552083588 /nfs/dbraw/zinc/08/35/88/552083588.db2.gz OWEQFVZNQHUIBV-UHFFFAOYSA-N 0 0 535.029 3.640 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002255808 552083500 /nfs/dbraw/zinc/08/35/00/552083500.db2.gz SJIYAXVFKONFAG-JOCHJYFZSA-N 0 0 510.974 3.938 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002255809 552083506 /nfs/dbraw/zinc/08/35/06/552083506.db2.gz SJIYAXVFKONFAG-QFIPXVFZSA-N 0 0 510.974 3.938 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccccc1Cl ZINC000002257691 551803227 /nfs/dbraw/zinc/80/32/27/551803227.db2.gz IPXMNNSPEWKMMG-JOCHJYFZSA-N 0 0 510.974 3.938 50 0 KHAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1ccccc1Cl ZINC000002257692 551803163 /nfs/dbraw/zinc/80/31/63/551803163.db2.gz IPXMNNSPEWKMMG-QFIPXVFZSA-N 0 0 510.974 3.938 50 0 KHAARN Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000002257977 551803369 /nfs/dbraw/zinc/80/33/69/551803369.db2.gz UUDOJHPPOLWFJJ-UHFFFAOYSA-N 0 0 535.029 3.640 50 0 KHAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5cccc(C(F)(F)F)c5)o4)sc3nc2=O)cc1 ZINC000002258069 551803377 /nfs/dbraw/zinc/80/33/77/551803377.db2.gz QFGBQWCCHGZJDU-BKUYFWCQSA-N 0 0 511.481 3.937 50 0 KHAARN COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000002258499 551803654 /nfs/dbraw/zinc/80/36/54/551803654.db2.gz DTBUNAMOYCNMOI-UHFFFAOYSA-N 0 0 503.020 3.907 50 0 biogenic KHAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(NC(=O)c3ccccc3)n2)CCC4)cc1 ZINC000002258620 551803590 /nfs/dbraw/zinc/80/35/90/551803590.db2.gz JEFCQLWACFGCDO-UHFFFAOYSA-N 0 0 539.664 3.811 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000002261287 552084311 /nfs/dbraw/zinc/08/43/11/552084311.db2.gz DLVHBWDVAIWJJO-FNGUVFISSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000002261289 552084370 /nfs/dbraw/zinc/08/43/70/552084370.db2.gz DLVHBWDVAIWJJO-CNSVBDKNSA-N 0 0 513.413 3.569 50 0 KHAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 ZINC000002261437 552084386 /nfs/dbraw/zinc/08/43/86/552084386.db2.gz NUMFLZDRYSMYGQ-UQQQWYQISA-N 0 0 519.586 3.511 50 0 KHAARN Cc1c(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc(Cl)cc4)cc3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000002261952 552084776 /nfs/dbraw/zinc/08/47/76/552084776.db2.gz FJUJUVYZDSDNQH-UHFFFAOYSA-N 0 0 529.936 3.978 50 0 KHAARN CCCCOC[C@@H]1C[C@@]2(C[C@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000002263280 551803957 /nfs/dbraw/zinc/80/39/57/551803957.db2.gz KPBXLCZGZGNIOY-NYDQNWGQSA-N 0 0 507.996 3.611 50 0 biogenic KHAARN CCOC(=O)[C@@](Nc1sc2c(c1C(=O)OC)CCCC2)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002270387 551804941 /nfs/dbraw/zinc/80/49/41/551804941.db2.gz DMZLZAZETOZIDX-HXUWFJFHSA-N 0 0 520.551 3.626 50 0 KHAARN CCOC(=O)[C@](Nc1sc2c(c1C(=O)OC)CCCC2)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000002270388 551804933 /nfs/dbraw/zinc/80/49/33/551804933.db2.gz DMZLZAZETOZIDX-FQEVSTJZSA-N 0 0 520.551 3.626 50 0 KHAARN CCn1cc(C(=O)NCc2cccc(F)c2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000002272581 551805339 /nfs/dbraw/zinc/80/53/39/551805339.db2.gz RWOOFKAIWFJHPB-UHFFFAOYSA-N 0 0 520.536 3.785 50 0 KHAARN CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CC(C)(C)OC3 ZINC000002273261 551805305 /nfs/dbraw/zinc/80/53/05/551805305.db2.gz UIFYAXNHEJIYTF-UHFFFAOYSA-N 0 0 500.602 3.610 50 0 KHAARN CCn1cc(C(=O)NCc2ccccc2F)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000002274735 552086368 /nfs/dbraw/zinc/08/63/68/552086368.db2.gz LMVPAOLOQSAAHE-UHFFFAOYSA-N 0 0 520.536 3.785 50 0 KHAARN CCOC(=O)C1=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 ZINC000002274886 552086430 /nfs/dbraw/zinc/08/64/30/552086430.db2.gz DUDIVQPBQCCXPC-HDMRQQGGSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 ZINC000002274888 552086423 /nfs/dbraw/zinc/08/64/23/552086423.db2.gz DUDIVQPBQCCXPC-ZBDCHNAPSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000002276129 552086614 /nfs/dbraw/zinc/08/66/14/552086614.db2.gz YEKOXMAUWNLUSF-FCKOQQNDSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002276131 552086611 /nfs/dbraw/zinc/08/66/11/552086611.db2.gz YEKOXMAUWNLUSF-DLBLZJNESA-N 0 0 506.624 3.939 50 0 KHAARN COc1ccccc1-n1c2nnc(SCC(N)=O)n2c2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002277809 551805751 /nfs/dbraw/zinc/80/57/51/551805751.db2.gz RHOQIAVVSFNVOM-UHFFFAOYSA-N 0 0 501.612 3.891 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002277969 551805692 /nfs/dbraw/zinc/80/56/92/551805692.db2.gz XZTAPBJETXIAGB-MOBKVPTQSA-N 0 0 522.026 3.579 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002279141 551805790 /nfs/dbraw/zinc/80/57/90/551805790.db2.gz CQZHLTMLEZBRCF-CVGPFBNFSA-N 0 0 513.015 3.859 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002279532 551805800 /nfs/dbraw/zinc/80/58/00/551805800.db2.gz IFHZAQFFGKULHX-DPWKNNTCSA-N 0 0 503.805 3.824 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002279534 551805797 /nfs/dbraw/zinc/80/57/97/551805797.db2.gz IFHZAQFFGKULHX-XGHXRCDJSA-N 0 0 503.805 3.824 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002279939 551806075 /nfs/dbraw/zinc/80/60/75/551806075.db2.gz BGIXTUAOJRTZHU-BYHQVZLYSA-N 0 0 519.406 3.732 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002279941 551806060 /nfs/dbraw/zinc/80/60/60/551806060.db2.gz BGIXTUAOJRTZHU-LYFUXTGPSA-N 0 0 519.406 3.732 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000002280614 551806064 /nfs/dbraw/zinc/80/60/64/551806064.db2.gz VUKZEKRTVWOOAJ-FMGUKJHCSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002281133 552086960 /nfs/dbraw/zinc/08/69/60/552086960.db2.gz RIKMRUCNKWQIGP-MGSPXPDISA-N 0 0 541.025 3.776 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002281135 552086964 /nfs/dbraw/zinc/08/69/64/552086964.db2.gz RIKMRUCNKWQIGP-XPCGLTFESA-N 0 0 541.025 3.776 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002283995 551806446 /nfs/dbraw/zinc/80/64/46/551806446.db2.gz UTVNFCOMKFSHRF-YMSBRDKKSA-N 0 0 506.624 3.723 50 0 KHAARN COc1ccc(C(=O)NCCn2c(N)c(S(=O)(=O)c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000002284108 551806443 /nfs/dbraw/zinc/80/64/43/551806443.db2.gz HDXKMUDBLUNVOY-UHFFFAOYSA-N 0 0 515.595 3.747 50 0 KHAARN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(C)C)cc1Br ZINC000002285108 551806792 /nfs/dbraw/zinc/80/67/92/551806792.db2.gz YHTFQXLZOXMVSZ-UHFFFAOYSA-N 0 0 511.438 3.919 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002286099 552087588 /nfs/dbraw/zinc/08/75/88/552087588.db2.gz JEMOPHGVTPVTLA-BYHQVZLYSA-N 0 0 517.390 3.640 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002286101 552087486 /nfs/dbraw/zinc/08/74/86/552087486.db2.gz JEMOPHGVTPVTLA-LYFUXTGPSA-N 0 0 517.390 3.640 50 0 KHAARN Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)NCc2ccccc2)cc1 ZINC000002286609 552087561 /nfs/dbraw/zinc/08/75/61/552087561.db2.gz HIUCKGPDAVDBIW-KOEQRZSOSA-N 0 0 515.591 3.990 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002289401 551807292 /nfs/dbraw/zinc/80/72/92/551807292.db2.gz MPVNZYCZEUIMSE-PNZYDNNZSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002289403 551807285 /nfs/dbraw/zinc/80/72/85/551807285.db2.gz MPVNZYCZEUIMSE-CBYYHRJHSA-N 0 0 506.624 3.939 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000002290603 552088173 /nfs/dbraw/zinc/08/81/73/552088173.db2.gz FHIYNLHLNNPIQC-UHFFFAOYSA-N 0 0 511.604 3.829 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000002291713 552088578 /nfs/dbraw/zinc/08/85/78/552088578.db2.gz ILGMXYKRNNPFSU-UHFFFAOYSA-N 0 0 524.647 3.887 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CC3(C(C)C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C(C)C)(C2)C3=O)cc1 ZINC000002294082 552089161 /nfs/dbraw/zinc/08/91/61/552089161.db2.gz GUKGDQDPQGXNJZ-UHFFFAOYSA-N 0 0 532.728 3.866 50 0 KHAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)c3ccccc32)cc1 ZINC000002300758 551807787 /nfs/dbraw/zinc/80/77/87/551807787.db2.gz ZZXXGANYTMUTQZ-UHFFFAOYSA-N 0 0 549.653 3.523 50 0 KHAARN 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552140052 /nfs/dbraw/zinc/14/00/52/552140052.db2.gz JSWRFAGUVWACLB-XMMPIXPASA-N 0 0 516.641 3.512 50 0 KHAARN COc1cc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc(OC)c1OC ZINC000002632217 552140210 /nfs/dbraw/zinc/14/02/10/552140210.db2.gz QWJJSTWQGKATQN-OAHLLOKOSA-N 0 0 525.587 3.680 50 0 KHAARN COc1cc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc(OC)c1OC ZINC000002632218 552140335 /nfs/dbraw/zinc/14/03/35/552140335.db2.gz QWJJSTWQGKATQN-HNNXBMFYSA-N 0 0 525.587 3.680 50 0 KHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000002635484 552140777 /nfs/dbraw/zinc/14/07/77/552140777.db2.gz DATTYIMOUUACJW-INIZCTEOSA-N 0 0 554.422 3.954 50 0 KHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1 ZINC000002635485 552140744 /nfs/dbraw/zinc/14/07/44/552140744.db2.gz DATTYIMOUUACJW-MRXNPFEDSA-N 0 0 554.422 3.954 50 0 KHAARN COc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000002636719 552141306 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CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2-c2ccccc2)c1 ZINC000002655362 552148559 /nfs/dbraw/zinc/14/85/59/552148559.db2.gz XWCCPUIRMJBNNC-UHFFFAOYSA-N 0 0 564.693 3.795 50 0 KHAARN Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC000002655541 552148851 /nfs/dbraw/zinc/14/88/51/552148851.db2.gz HFWSKXNXMDDNPU-UHFFFAOYSA-N 0 0 564.693 3.631 50 0 KHAARN COc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002655915 552149162 /nfs/dbraw/zinc/14/91/62/552149162.db2.gz ABMYTIXPFVWQOA-UHFFFAOYSA-N 0 0 510.568 3.514 50 0 KHAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1Cl ZINC000002656353 552149194 /nfs/dbraw/zinc/14/91/94/552149194.db2.gz FSHNYOXUQYZINV-UHFFFAOYSA-N 0 0 508.383 3.971 50 0 KHAARN COc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 ZINC000002656503 552149146 /nfs/dbraw/zinc/14/91/46/552149146.db2.gz ZODMPXQWWFYWOZ-UHFFFAOYSA-N 0 0 529.626 3.851 50 0 KHAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000002656754 552149431 /nfs/dbraw/zinc/14/94/31/552149431.db2.gz SOBGHMVMDFIWOV-NDEPHWFRSA-N 0 0 549.605 3.958 50 0 KHAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000002656755 552149309 /nfs/dbraw/zinc/14/93/09/552149309.db2.gz SOBGHMVMDFIWOV-MUUNZHRXSA-N 0 0 549.605 3.958 50 0 KHAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002656787 552149429 /nfs/dbraw/zinc/14/94/29/552149429.db2.gz CFMGHVDBOMVWKP-UHFFFAOYSA-N 0 0 510.666 3.984 50 0 KHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)n2)cc1 ZINC000002656938 552149374 /nfs/dbraw/zinc/14/93/74/552149374.db2.gz QBBXNJVTAHPPAB-UHFFFAOYSA-N 0 0 521.020 3.695 50 0 KHAARN COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1S(=O)(=O)N1CCOCC1 ZINC000002657211 552149653 /nfs/dbraw/zinc/14/96/53/552149653.db2.gz SEONDLCRVLALLI-YCRREMRBSA-N 0 0 503.577 3.631 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)ccc1Br ZINC000002657864 552149660 /nfs/dbraw/zinc/14/96/60/552149660.db2.gz VILWWOAXLXHHKD-HSZRJFAPSA-N 0 0 542.455 3.549 50 0 KHAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000002658839 552149924 /nfs/dbraw/zinc/14/99/24/552149924.db2.gz KTUAZDJIUMHHRH-UHFFFAOYSA-N 0 0 530.002 3.874 50 0 KHAARN COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000002659012 552149992 /nfs/dbraw/zinc/14/99/92/552149992.db2.gz UHUCYXFWMZKXJY-UHFFFAOYSA-N 0 0 511.575 3.684 50 0 KHAARN CCCn1c(N)c(-c2nc(-c3cccs3)c(C(=O)c3[nH]c(C)c(C(C)=O)c3C)s2)c(=O)n(C)c1=O ZINC000002659388 552150015 /nfs/dbraw/zinc/15/00/15/552150015.db2.gz YARKSGBTNVAGRC-UHFFFAOYSA-N 0 0 511.629 3.770 50 0 KHAARN CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccc(OC(F)F)cc3)s2)c(=O)n(C)c1=O ZINC000002659403 552150012 /nfs/dbraw/zinc/15/00/12/552150012.db2.gz CKMVENTVXVAHIS-UHFFFAOYSA-N 0 0 502.499 3.755 50 0 aggregator KHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C ZINC000002659916 552150277 /nfs/dbraw/zinc/15/02/77/552150277.db2.gz DXIKNGOKRINDRY-FQEVSTJZSA-N 0 0 530.643 3.663 50 0 KHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1C ZINC000002659917 552150264 /nfs/dbraw/zinc/15/02/64/552150264.db2.gz DXIKNGOKRINDRY-HXUWFJFHSA-N 0 0 530.643 3.663 50 0 KHAARN COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c(OC)c1 ZINC000002660117 552150296 /nfs/dbraw/zinc/15/02/96/552150296.db2.gz UASNILKKAHPDSB-UHFFFAOYSA-N 0 0 518.975 3.978 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000002660447 552150270 /nfs/dbraw/zinc/15/02/70/552150270.db2.gz CKLPSTLNJSQSJH-UHFFFAOYSA-N 0 0 500.558 3.881 50 0 KHAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000002663322 552150852 /nfs/dbraw/zinc/15/08/52/552150852.db2.gz XCQDNKXIDNERGK-SFHVURJKSA-N 0 0 526.636 3.950 50 0 KHAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000002663323 552150769 /nfs/dbraw/zinc/15/07/69/552150769.db2.gz XCQDNKXIDNERGK-GOSISDBHSA-N 0 0 526.636 3.950 50 0 KHAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000002663513 552151051 /nfs/dbraw/zinc/15/10/51/552151051.db2.gz RQYQIGGOWIQVEQ-UHFFFAOYSA-N 0 0 503.536 3.709 50 0 KHAARN O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000002663812 552150982 /nfs/dbraw/zinc/15/09/82/552150982.db2.gz KYMKYLVZWGHJAI-SANMLTNESA-N 0 0 534.012 3.926 50 0 KHAARN O=C(COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000002663813 552150988 /nfs/dbraw/zinc/15/09/88/552150988.db2.gz KYMKYLVZWGHJAI-AREMUKBSSA-N 0 0 534.012 3.926 50 0 KHAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000002664708 552151252 /nfs/dbraw/zinc/15/12/52/552151252.db2.gz DBJCYJONSGMYGC-UHFFFAOYSA-N 0 0 518.547 3.785 50 0 KHAARN COc1ccc(/C=C2/N=C(SCC(=O)N3CCOCC3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000002664904 552151284 /nfs/dbraw/zinc/15/12/84/552151284.db2.gz UQMBKJPXMKKOLM-DEDYPNTBSA-N 0 0 501.992 3.693 50 0 KHAARN COc1ccc(/C=C2\N=C(SCC(=O)N3CCOCC3)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 ZINC000002664905 552151313 /nfs/dbraw/zinc/15/13/13/552151313.db2.gz UQMBKJPXMKKOLM-MOSHPQCFSA-N 0 0 501.992 3.693 50 0 KHAARN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nnc1-c1ccc(OC(F)F)cc1 ZINC000002664929 552151255 /nfs/dbraw/zinc/15/12/55/552151255.db2.gz GNYWMDIFZWCTTG-UHFFFAOYSA-N 0 0 544.506 3.847 50 0 KHAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000002665028 552151300 /nfs/dbraw/zinc/15/13/00/552151300.db2.gz ATZGCCCTOXABQG-FHNWIRHTSA-N 0 0 528.439 3.513 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002665710 552151507 /nfs/dbraw/zinc/15/15/07/552151507.db2.gz BYOTUMNJLJMGRK-VMOHIOPYSA-N 0 0 547.416 3.649 50 0 KHAARN 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565.651 3.642 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(Cl)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002671542 552152858 /nfs/dbraw/zinc/15/28/58/552152858.db2.gz VQMQIUIHWZARLZ-ORDRXGECSA-N 0 0 586.069 3.987 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(Cl)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002671544 552152902 /nfs/dbraw/zinc/15/29/02/552152902.db2.gz VQMQIUIHWZARLZ-PIJNJCDPSA-N 0 0 586.069 3.987 50 0 KHAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)ccc1OC(C)=O ZINC000002671651 552153107 /nfs/dbraw/zinc/15/31/07/552153107.db2.gz FYRVORGUEJRXKY-DJTCXORXSA-N 0 0 534.634 3.677 50 0 KHAARN COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc(C)cc4)c(=O)n32)ccc1OC(C)=O ZINC000002671652 552153142 /nfs/dbraw/zinc/15/31/42/552153142.db2.gz FYRVORGUEJRXKY-NFYDWNOTSA-N 0 0 534.634 3.677 50 0 KHAARN COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(C)cc4)c(=O)n32)ccc1OC(C)=O ZINC000002671653 552153122 /nfs/dbraw/zinc/15/31/22/552153122.db2.gz 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3.666 50 0 KHAARN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948337 552228507 /nfs/dbraw/zinc/22/85/07/552228507.db2.gz RQMWPLBXSULEEJ-YJBOKZPZSA-N 0 0 531.963 3.666 50 0 KHAARN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948339 552228453 /nfs/dbraw/zinc/22/84/53/552228453.db2.gz RQMWPLBXSULEEJ-CRAIPNDOSA-N 0 0 531.963 3.666 50 0 KHAARN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948340 552228408 /nfs/dbraw/zinc/22/84/08/552228408.db2.gz RQMWPLBXSULEEJ-MAUKXSAKSA-N 0 0 531.963 3.666 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000002949091 561681330 /nfs/dbraw/zinc/68/13/30/561681330.db2.gz IEJIJGHYYKEITJ-FGSNJIQSSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000002949095 561681307 /nfs/dbraw/zinc/68/13/07/561681307.db2.gz IEJIJGHYYKEITJ-LMTOTAIGSA-N 0 0 542.613 3.658 50 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COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N[C@@H](C)CCc4ccccc4)ccc3c2=O)cc1OC ZINC000002952782 552229889 /nfs/dbraw/zinc/22/98/89/552229889.db2.gz VMUDLCVQGOWAQP-IBGZPJMESA-N 0 0 501.583 3.701 50 0 KHAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N[C@H](C)CCc4ccccc4)ccc3c2=O)cc1OC ZINC000002952784 552229927 /nfs/dbraw/zinc/22/99/27/552229927.db2.gz VMUDLCVQGOWAQP-LJQANCHMSA-N 0 0 501.583 3.701 50 0 KHAARN COC(=O)c1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000002954419 552230121 /nfs/dbraw/zinc/23/01/21/552230121.db2.gz QJTKOLBXXBZDHK-WCTVFOPTSA-N 0 0 503.511 3.917 50 0 KHAARN COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)c(OC)c2)cc1 ZINC000002954476 552230143 /nfs/dbraw/zinc/23/01/43/552230143.db2.gz ZLFUVHLIVFVBHE-BXVZCJGGSA-N 0 0 503.511 3.917 50 0 KHAARN COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(OC)ccc2OC)cc1 ZINC000002954482 552230136 /nfs/dbraw/zinc/23/01/36/552230136.db2.gz UELRVQOVJWBMLY-BXVZCJGGSA-N 0 0 503.511 3.917 50 0 KHAARN 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COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)o4)c(=O)n32)c1 ZINC000002954857 552230408 /nfs/dbraw/zinc/23/04/08/552230408.db2.gz IQEPVNGEHQVDAZ-GJISQHIDSA-N 0 0 514.607 3.542 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)o4)c(=O)n32)c1 ZINC000002954861 552230425 /nfs/dbraw/zinc/23/04/25/552230425.db2.gz IQEPVNGEHQVDAZ-YVVITCHPSA-N 0 0 514.607 3.542 50 0 KHAARN COC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000002956662 552231340 /nfs/dbraw/zinc/23/13/40/552231340.db2.gz ZZWQAWIUDLZGFO-UHFFFAOYSA-N 0 0 589.457 3.956 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000002956687 552231353 /nfs/dbraw/zinc/23/13/53/552231353.db2.gz OFAPFCMYUNCLML-UHFFFAOYSA-N 0 0 511.003 3.825 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000002956691 552231316 /nfs/dbraw/zinc/23/13/16/552231316.db2.gz DJBZWSRRSAINIP-UHFFFAOYSA-N 0 0 569.039 3.693 50 0 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COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)c1 ZINC000002956825 552231813 /nfs/dbraw/zinc/23/18/13/552231813.db2.gz REPLPKSQQICLGL-UHFFFAOYSA-N 0 0 541.029 3.833 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)N(C)c1ccccc1 ZINC000002956831 552231806 /nfs/dbraw/zinc/23/18/06/552231806.db2.gz LRCVJRFRXYEGBO-UHFFFAOYSA-N 0 0 504.612 3.504 50 0 KHAARN CCc1ccc(NC(=O)Cn2c3sc(C(=O)N(C)C)c(C)c3c(=O)n(-c3ccc(CC)cc3)c2=O)cc1 ZINC000002956840 552231832 /nfs/dbraw/zinc/23/18/32/552231832.db2.gz GXVMINTWLHYWNM-UHFFFAOYSA-N 0 0 518.639 3.988 50 0 KHAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000002956841 552231828 /nfs/dbraw/zinc/23/18/28/552231828.db2.gz PWAFUACYKFFPMW-UHFFFAOYSA-N 0 0 522.671 3.793 50 0 KHAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000002956854 552231808 /nfs/dbraw/zinc/23/18/08/552231808.db2.gz ZQHPKMFJJAOGMU-UHFFFAOYSA-N 0 0 504.612 3.734 50 0 KHAARN CCOc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(CC)cc2)c1=O ZINC000002956860 552231825 /nfs/dbraw/zinc/23/18/25/552231825.db2.gz MUMYLDLRYYTPPQ-UHFFFAOYSA-N 0 0 534.638 3.824 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(CC)cc2)c1=O ZINC000002956862 552231837 /nfs/dbraw/zinc/23/18/37/552231837.db2.gz FMNJHHJTRVBPAH-UHFFFAOYSA-N 0 0 562.648 3.602 50 0 KHAARN CCc1ccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000002956872 552231991 /nfs/dbraw/zinc/23/19/91/552231991.db2.gz ROMGGTPZCIUBNK-UHFFFAOYSA-N 0 0 508.575 3.564 50 0 KHAARN COc1cccc(-n2c(=O)c3c(C)c(C(=O)N(C)C)sc3n(CC(=O)Nc3cc(Cl)ccc3OC)c2=O)c1 ZINC000002956875 552232006 /nfs/dbraw/zinc/23/20/06/552232006.db2.gz RLVDEWAAXIDIHS-UHFFFAOYSA-N 0 0 557.028 3.533 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccccc2)c1=O ZINC000002956886 552231966 /nfs/dbraw/zinc/23/19/66/552231966.db2.gz ZJAKDCOUBKKHPB-UHFFFAOYSA-N 0 0 527.002 3.525 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1c(C)cc(C)cc1C ZINC000002956888 552232021 /nfs/dbraw/zinc/23/20/21/552232021.db2.gz HLMUZSAXTOZIBN-UHFFFAOYSA-N 0 0 504.612 3.788 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1cc(Cl)ccc1C ZINC000002956889 552232041 /nfs/dbraw/zinc/23/20/41/552232041.db2.gz QAPJXEBDMVZAIS-UHFFFAOYSA-N 0 0 511.003 3.825 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1Cl ZINC000002956893 552231970 /nfs/dbraw/zinc/23/19/70/552231970.db2.gz SGCDYQHXJBCIOF-UHFFFAOYSA-N 0 0 511.003 3.825 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1cc(=O)n2ccccc2n1 ZINC000002956936 552232048 /nfs/dbraw/zinc/23/20/48/552232048.db2.gz NQQBCTHBMXZPEV-UHFFFAOYSA-N 0 0 543.649 3.677 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1cc(=O)n2c(C)cccc2n1 ZINC000002956938 552231973 /nfs/dbraw/zinc/23/19/73/552231973.db2.gz CQCPHQYMEQUFCN-UHFFFAOYSA-N 0 0 557.676 3.986 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1 ZINC000002956966 552232213 /nfs/dbraw/zinc/23/22/13/552232213.db2.gz YBZKCOZPDBWNMK-UHFFFAOYSA-N 0 0 518.639 3.897 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccc(OC)cc1 ZINC000002956968 552232196 /nfs/dbraw/zinc/23/21/96/552232196.db2.gz UKDJJPMQKMFDJR-UHFFFAOYSA-N 0 0 548.665 3.905 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(OC)cc1OC ZINC000002956995 552232224 /nfs/dbraw/zinc/23/22/24/552232224.db2.gz DJGMQPGQRHUVNT-UHFFFAOYSA-N 0 0 564.664 3.719 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(OC)cc1OC)c(=O)n2CC(=O)C(C)(C)C ZINC000002957002 552232187 /nfs/dbraw/zinc/23/21/87/552232187.db2.gz PCOZVNDNUZPFKW-UHFFFAOYSA-N 0 0 515.632 3.637 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(OC)cc1OC)c(=O)n2CC(=O)c1ccccc1 ZINC000002957036 552232503 /nfs/dbraw/zinc/23/25/03/552232503.db2.gz ZMVPOGGUQIVASK-UHFFFAOYSA-N 0 0 535.622 3.904 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1 ZINC000002957044 552232454 /nfs/dbraw/zinc/23/24/54/552232454.db2.gz CBFHQBVBKOCSJU-UHFFFAOYSA-N 0 0 504.612 3.702 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(OC)cc1OC)c(=O)n2CC(=O)Nc1ccccc1 ZINC000002957046 552232541 /nfs/dbraw/zinc/23/25/41/552232541.db2.gz SOCFMKNDWIYRRR-UHFFFAOYSA-N 0 0 550.637 3.660 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 ZINC000002957055 552232510 /nfs/dbraw/zinc/23/25/10/552232510.db2.gz TUYCHMVIRRYUJN-UHFFFAOYSA-N 0 0 508.575 3.782 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccccc1C ZINC000002957057 552232477 /nfs/dbraw/zinc/23/24/77/552232477.db2.gz ZZOMQMASPWDVNM-UHFFFAOYSA-N 0 0 504.612 3.951 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)OCc1ccccc1 ZINC000002957063 552232489 /nfs/dbraw/zinc/23/24/89/552232489.db2.gz TUHWZBZLBMVFOP-UHFFFAOYSA-N 0 0 505.596 3.748 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000002957070 552232473 /nfs/dbraw/zinc/23/24/73/552232473.db2.gz KCEWACZRDASVJO-UHFFFAOYSA-N 0 0 504.612 3.951 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccccc1OC ZINC000002957074 552232518 /nfs/dbraw/zinc/23/25/18/552232518.db2.gz NKQATCHCSQAAEO-UHFFFAOYSA-N 0 0 520.611 3.652 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)Nc1ccc(OC)cc1 ZINC000002957075 552232462 /nfs/dbraw/zinc/23/24/62/552232462.db2.gz DYLKGZMWXKOFBE-UHFFFAOYSA-N 0 0 520.611 3.652 50 0 KHAARN CCOc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccccc2Cl)c1=O ZINC000002957098 552232523 /nfs/dbraw/zinc/23/25/23/552232523.db2.gz JXZLTSNHGQVLLC-UHFFFAOYSA-N 0 0 541.029 3.915 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000002957100 552232614 /nfs/dbraw/zinc/23/26/14/552232614.db2.gz JVZSZRGUCIKGFL-UHFFFAOYSA-N 0 0 508.575 3.564 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000002957111 552232626 /nfs/dbraw/zinc/23/26/26/552232626.db2.gz PVZPJDVEVYRRLK-UHFFFAOYSA-N 0 0 544.992 3.664 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000002957115 552232639 /nfs/dbraw/zinc/23/26/39/552232639.db2.gz KABMYJWLHIMMKU-UHFFFAOYSA-N 0 0 508.575 3.619 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(F)cc1)c(=O)n2CC(=O)Nc1cccc(Cl)c1 ZINC000002957118 552232647 /nfs/dbraw/zinc/23/26/47/552232647.db2.gz NLXOWZYNUGOTEB-UHFFFAOYSA-N 0 0 514.966 3.655 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1C(F)(F)F)c(=O)n2CC(=O)N1CCCC[C@H]1C ZINC000002957134 552232650 /nfs/dbraw/zinc/23/26/50/552232650.db2.gz BOBIZZYSLOGKAU-CQSZACIVSA-N 0 0 536.576 3.644 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1C(F)(F)F)c(=O)n2CC(=O)N1CCCC[C@@H]1C ZINC000002957136 552232652 /nfs/dbraw/zinc/23/26/52/552232652.db2.gz BOBIZZYSLOGKAU-AWEZNQCLSA-N 0 0 536.576 3.644 50 0 KHAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cc(C=O)ccc1OC ZINC000002957138 552232633 /nfs/dbraw/zinc/23/26/33/552232633.db2.gz VMOKQKXVVICBOZ-UHFFFAOYSA-N 0 0 505.596 3.874 50 0 KHAARN COc1ccc(C=O)cc1Cn1c2sc(C(=O)N(C)C)c(C)c2c(=O)n(-c2ccccc2Cl)c1=O ZINC000002957144 552232611 /nfs/dbraw/zinc/23/26/11/552232611.db2.gz VQEWDSCWKNVXAO-UHFFFAOYSA-N 0 0 511.987 3.747 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccccc1Cl)c(=O)n2CC(=O)Nc1cccc(C)c1 ZINC000002957146 552232617 /nfs/dbraw/zinc/23/26/17/552232617.db2.gz RYUIBKVFHWLIRT-UHFFFAOYSA-N 0 0 511.003 3.825 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cc(C)cc1C ZINC000002957161 552232623 /nfs/dbraw/zinc/23/26/23/552232623.db2.gz DXXKTPQCYGWQTD-UHFFFAOYSA-N 0 0 518.639 3.847 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1c(C)cccc1C ZINC000002957164 552232631 /nfs/dbraw/zinc/23/26/31/552232631.db2.gz NSHYXSTYDLUWKA-UHFFFAOYSA-N 0 0 504.612 3.539 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccc(C)cc1C ZINC000002957177 552232609 /nfs/dbraw/zinc/23/26/09/552232609.db2.gz PMLIYMYITNIKEC-UHFFFAOYSA-N 0 0 504.612 3.539 50 0 KHAARN O=C(c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002959216 552232997 /nfs/dbraw/zinc/23/29/97/552232997.db2.gz GFEVBAWVHVICQZ-WOJBJXKFSA-N 0 0 525.483 3.636 50 0 KHAARN O=C(c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002959219 552232949 /nfs/dbraw/zinc/23/29/49/552232949.db2.gz GFEVBAWVHVICQZ-UXHICEINSA-N 0 0 525.483 3.636 50 0 KHAARN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)cc1 ZINC000002959912 552233418 /nfs/dbraw/zinc/23/34/18/552233418.db2.gz PMCUTHWPEIWBKJ-RJGXRXQPSA-N 0 0 536.382 3.726 50 0 KHAARN COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(OC)c(OC)c3OC)NN(C(=O)c3cccc(Br)c3)[C@@H]2C1=O ZINC000002959981 552233476 /nfs/dbraw/zinc/23/34/76/552233476.db2.gz LYDQTRGNAUVGPG-ZLNRFVROSA-N 0 0 596.434 3.743 50 0 KHAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccc2c(c1)OCO2)NC[C@H]1CCCO1 ZINC000002961647 552233744 /nfs/dbraw/zinc/23/37/44/552233744.db2.gz QFTCNDROIRGQIC-MRXNPFEDSA-N 0 0 509.609 3.776 50 0 KHAARN O=C(CSc1nc2c3ccccc3sc2c(=O)n1Cc1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000002961649 552233836 /nfs/dbraw/zinc/23/38/36/552233836.db2.gz QFTCNDROIRGQIC-INIZCTEOSA-N 0 0 509.609 3.776 50 0 KHAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N21)C(=O)N1CCOCC1 ZINC000002964347 552235355 /nfs/dbraw/zinc/23/53/55/552235355.db2.gz JRMMQMHKFABTKQ-GOTSBHOMSA-N 0 0 501.612 3.740 50 0 KHAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N21)C(=O)N1CCOCC1 ZINC000002964349 552235364 /nfs/dbraw/zinc/23/53/64/552235364.db2.gz JRMMQMHKFABTKQ-XZOQPEGZSA-N 0 0 501.612 3.740 50 0 KHAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N21)C(=O)N1CCOCC1 ZINC000002964351 552235347 /nfs/dbraw/zinc/23/53/47/552235347.db2.gz JRMMQMHKFABTKQ-PKTZIBPZSA-N 0 0 501.612 3.740 50 0 KHAARN 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ZINC000003009640 552256216 /nfs/dbraw/zinc/25/62/16/552256216.db2.gz GZYPHVJSSBAMQS-UHFFFAOYSA-N 0 0 507.353 3.774 50 0 KHAARN CCOC(=O)c1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc4c(c3)OCO4)c(=O)c2c1C ZINC000003010487 552256349 /nfs/dbraw/zinc/25/63/49/552256349.db2.gz MGBNJRIKGWCCQJ-UHFFFAOYSA-N 0 0 541.607 3.722 50 0 KHAARN COc1ccccc1/C=C(/NC(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003013056 552260207 /nfs/dbraw/zinc/26/02/07/552260207.db2.gz ZVQUUHBJCGXPDV-AVBGGIPMSA-N 0 0 503.986 3.927 50 0 biogenic KHAARN COc1cc(/C=C(/NC(=O)c2ccc(C)c(C)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1OC(C)=O ZINC000003013097 552260119 /nfs/dbraw/zinc/26/01/19/552260119.db2.gz JSKBWDLIULLPPU-KVKVBHSBSA-N 0 0 555.631 3.816 50 0 biogenic KHAARN O=C(N/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cncc(Br)c1 ZINC000003013122 552260158 /nfs/dbraw/zinc/26/01/58/552260158.db2.gz BXFCAGPBABQWNA-IRABVOJZSA-N 0 0 537.389 3.562 50 0 biogenic KHAARN 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COc1cc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000003014282 552260623 /nfs/dbraw/zinc/26/06/23/552260623.db2.gz RRVFMLPXNMDXOR-UHFFFAOYSA-N 0 0 535.504 3.884 50 0 KHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 ZINC000003014288 552260569 /nfs/dbraw/zinc/26/05/69/552260569.db2.gz JVQOGZKYJOYFKH-UHFFFAOYSA-N 0 0 503.462 3.630 50 0 KHAARN CC(=O)c1cc2c(cc1NC(=O)CSc1nc3n[nH]cc3c(=O)n1-c1cccc(C(F)(F)F)c1)OCO2 ZINC000003014303 552260558 /nfs/dbraw/zinc/26/05/58/552260558.db2.gz XIDWYNUYIMEEKS-UHFFFAOYSA-N 0 0 531.472 3.790 50 0 KHAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(Cc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000003017774 552261130 /nfs/dbraw/zinc/26/11/30/552261130.db2.gz OKBLKBMBHGLTCU-UHFFFAOYSA-N 0 0 594.667 3.692 50 0 KHAARN O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(-c2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000003017837 552261118 /nfs/dbraw/zinc/26/11/18/552261118.db2.gz YCFUTAVYNWJZCM-UHFFFAOYSA-N 0 0 580.640 3.768 50 0 KHAARN CCOC(=O)CC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1Cc1ccc(C)cc1 ZINC000003018443 552261650 /nfs/dbraw/zinc/26/16/50/552261650.db2.gz YTRANMDJGRWWER-UHFFFAOYSA-N 0 0 502.614 3.914 50 0 KHAARN Cc1c(C(=O)N(C)C)sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c12 ZINC000003018488 552261665 /nfs/dbraw/zinc/26/16/65/552261665.db2.gz LYVHBXQLBAGHDL-UHFFFAOYSA-N 0 0 510.641 3.712 50 0 KHAARN COc1ccc(Cn2c(SCc3cc(=O)n4ccccc4n3)nc3sc(C(=O)N(C)C)c(C)c3c2=O)cc1 ZINC000003018489 552261692 /nfs/dbraw/zinc/26/16/92/552261692.db2.gz ICXOGMZINOMANT-UHFFFAOYSA-N 0 0 547.662 3.825 50 0 KHAARN COc1ccc(Cn2c(=O)c3c(C)c(C(=O)N(C)C)sc3nc2SCC(=O)NCc2ccco2)cc1 ZINC000003018491 552261626 /nfs/dbraw/zinc/26/16/26/552261626.db2.gz OJGNCZMLILVJOY-UHFFFAOYSA-N 0 0 526.640 3.527 50 0 KHAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2nc(SCc3cc(=O)n4ccccc4n3)n(N)c(=O)c12 ZINC000003018526 552261645 /nfs/dbraw/zinc/26/16/45/552261645.db2.gz QQRLGRONBMMJLM-UHFFFAOYSA-N 0 0 518.624 3.650 50 0 KHAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000003019568 552263135 /nfs/dbraw/zinc/26/31/35/552263135.db2.gz KMSDKLNDMMZTPN-BVXFVOQJSA-N 0 0 512.610 3.500 50 0 KHAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccccc2Br)c1 ZINC000003019575 552263072 /nfs/dbraw/zinc/26/30/72/552263072.db2.gz KEEBLLPOMRDKTB-QUCCMNQESA-N 0 0 565.468 3.863 50 0 KHAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccccc2Cl)c1 ZINC000003019579 552263111 /nfs/dbraw/zinc/26/31/11/552263111.db2.gz BRYUSUVYWKBYLN-QUCCMNQESA-N 0 0 521.017 3.754 50 0 KHAARN COc1cc(OC)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(S(=O)(=O)NC(C)C)cc23)cc1Cl ZINC000003019823 552263297 /nfs/dbraw/zinc/26/32/97/552263297.db2.gz NUGNHWUZYUIOGR-UHFFFAOYSA-N 0 0 551.050 3.594 50 0 KHAARN O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F ZINC000003020955 552263851 /nfs/dbraw/zinc/26/38/51/552263851.db2.gz SYRYSJVRSPKQHD-UHFFFAOYSA-N 0 0 503.379 3.590 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nnc3c4cc(S(=O)(=O)N5CCCCC5)ccc4[nH]c3n2)cc1 ZINC000003021446 552263803 /nfs/dbraw/zinc/26/38/03/552263803.db2.gz HYSDQDMBSCGIFG-UHFFFAOYSA-N 0 0 526.644 3.810 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(SCc4cc(=O)n5cc(Br)ccc5n4)nnc3c2c1 ZINC000003021654 552264065 /nfs/dbraw/zinc/26/40/65/552264065.db2.gz ZALWRCGCUDCVBO-UHFFFAOYSA-N 0 0 574.486 3.599 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(SCC(=O)Nc4ccc(F)c(F)c4)nnc3c2c1 ZINC000003021657 552264068 /nfs/dbraw/zinc/26/40/68/552264068.db2.gz OXIPAUFZZQBDPK-UHFFFAOYSA-N 0 0 506.560 3.546 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4Cl)nnc3c2c1 ZINC000003021661 552264063 /nfs/dbraw/zinc/26/40/63/552264063.db2.gz QZARNWDBSUCBHQ-UHFFFAOYSA-N 0 0 505.025 3.921 50 0 KHAARN O=S(=O)(c1ccc2[nH]c3nc(SCc4cccc(Br)c4)nnc3c2c1)N1CCOCC1 ZINC000003021727 552264029 /nfs/dbraw/zinc/26/40/29/552264029.db2.gz NCCMLWHLFVEAEA-UHFFFAOYSA-N 0 0 520.434 3.582 50 0 KHAARN CN(C)S(=O)(=O)c1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1 ZINC000003021913 552264036 /nfs/dbraw/zinc/26/40/36/552264036.db2.gz NVWRRAHDBFVRFC-UHFFFAOYSA-N 0 0 510.523 3.506 50 0 KHAARN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1F ZINC000003024411 552265391 /nfs/dbraw/zinc/26/53/91/552265391.db2.gz TYPZSSXRKGJSGE-CVEARBPZSA-N 0 0 501.967 3.701 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003025355 552265453 /nfs/dbraw/zinc/26/54/53/552265453.db2.gz QSSWIRWOUXRPNR-UHFFFAOYSA-N 0 0 503.374 3.586 50 0 KHAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)ccc2F)c1 ZINC000003031416 552268135 /nfs/dbraw/zinc/26/81/35/552268135.db2.gz XTVGFLCSUZHCBL-UHFFFAOYSA-N 0 0 518.563 3.633 50 0 KHAARN COC(=O)c1ccc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000003037550 552271995 /nfs/dbraw/zinc/27/19/95/552271995.db2.gz ATZOFUONQCMOQI-UHFFFAOYSA-N 0 0 515.584 3.899 50 0 KHAARN Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1C ZINC000003037785 552272029 /nfs/dbraw/zinc/27/20/29/552272029.db2.gz SDJZCHVBGKJERE-XMMPIXPASA-N 0 0 516.392 3.629 50 0 KHAARN Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)cc1C ZINC000003037787 552271961 /nfs/dbraw/zinc/27/19/61/552271961.db2.gz SDJZCHVBGKJERE-DEOSSOPVSA-N 0 0 516.392 3.629 50 0 KHAARN Cc1nc2nc(SCC(=O)N3CCC4(CC3)OCCO4)nn2c(C)c1Cc1c(F)cccc1Cl ZINC000003042210 552273426 /nfs/dbraw/zinc/27/34/26/552273426.db2.gz YBFWLFIXCAAYRR-UHFFFAOYSA-N 0 0 506.003 3.582 50 0 KHAARN CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)Nc1cccc(C(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000003044619 552275640 /nfs/dbraw/zinc/27/56/40/552275640.db2.gz SBLNKLFTIYDCNU-IBGZPJMESA-N 0 0 552.381 3.799 50 0 KHAARN CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)Nc1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000003044620 552275587 /nfs/dbraw/zinc/27/55/87/552275587.db2.gz SBLNKLFTIYDCNU-LJQANCHMSA-N 0 0 552.381 3.799 50 0 KHAARN Cc1c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2oc1C(=O)NCc1ccccc1Cl ZINC000003046870 552276131 /nfs/dbraw/zinc/27/61/31/552276131.db2.gz DSKKHSKQRPRQPB-UHFFFAOYSA-N 0 0 504.992 3.852 50 0 KHAARN Cc1c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2oc1C(=O)NCCc1ccc(Cl)cc1 ZINC000003046875 552276186 /nfs/dbraw/zinc/27/61/86/552276186.db2.gz RMTNWUUAIHLSOE-UHFFFAOYSA-N 0 0 519.019 3.895 50 0 KHAARN COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)c(OC)c1 ZINC000003048118 552276300 /nfs/dbraw/zinc/27/63/00/552276300.db2.gz YCEQGDYAFJNIAI-UHFFFAOYSA-N 0 0 516.572 3.538 50 0 KHAARN COc1ccc(C)cc1NC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1C ZINC000003048222 552276220 /nfs/dbraw/zinc/27/62/20/552276220.db2.gz LVFCHWCOPBRFQM-UHFFFAOYSA-N 0 0 500.573 3.838 50 0 KHAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC ZINC000003049391 552276808 /nfs/dbraw/zinc/27/68/08/552276808.db2.gz PRLIIEFWMYBSIS-HHHXNRCGSA-N 0 0 504.583 3.820 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC ZINC000003049392 552276740 /nfs/dbraw/zinc/27/67/40/552276740.db2.gz PRLIIEFWMYBSIS-MHZLTWQESA-N 0 0 504.583 3.820 50 0 biogenic KHAARN CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000003052357 552278663 /nfs/dbraw/zinc/27/86/63/552278663.db2.gz JDKDSKMUPLQUSX-UHFFFAOYSA-N 0 0 544.633 3.988 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1)NCc1ccccc1Cl ZINC000003052372 552278840 /nfs/dbraw/zinc/27/88/40/552278840.db2.gz RCVXTDSAAQGLHW-UHFFFAOYSA-N 0 0 549.052 3.920 50 0 KHAARN CN(Cc1ccccc1)C(=O)CSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000003052401 552278780 /nfs/dbraw/zinc/27/87/80/552278780.db2.gz ZJBBHOZMNCRXBB-UHFFFAOYSA-N 0 0 587.677 3.613 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3Br)Oc3ccccc32)CC1 ZINC000003058039 552281400 /nfs/dbraw/zinc/28/14/00/552281400.db2.gz LIAQOLCVAULQAK-RCCKNPSSSA-N 0 0 514.376 3.516 50 0 KHAARN COc1cccc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)c1 ZINC000003058664 552281613 /nfs/dbraw/zinc/28/16/13/552281613.db2.gz USHHUPRRAZEQLL-UHFFFAOYSA-N 0 0 503.580 3.918 50 0 KHAARN COc1ccc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)c(OC)c1 ZINC000003058668 552281628 /nfs/dbraw/zinc/28/16/28/552281628.db2.gz JFPNCLUHHYWUSR-UHFFFAOYSA-N 0 0 533.606 3.926 50 0 KHAARN COc1cc(NC(=O)CN2c3cc(C(=O)N4CCOCC4)ccc3Sc3ccccc3C2=O)cc(OC)c1OC ZINC000003059852 552281734 /nfs/dbraw/zinc/28/17/34/552281734.db2.gz PVYMPAQNOSNWLO-UHFFFAOYSA-N 0 0 563.632 3.935 50 0 KHAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000003060133 552282100 /nfs/dbraw/zinc/28/21/00/552282100.db2.gz FWWRKPHKHXRNEL-UHFFFAOYSA-N 0 0 506.628 3.938 50 0 KHAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3N(C)C2=O)cc1OC ZINC000003060935 552282106 /nfs/dbraw/zinc/28/21/06/552282106.db2.gz WAJHHTCWCUZJBY-LFVJCYFKSA-N 0 0 517.611 3.566 50 0 KHAARN O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000003061652 552282606 /nfs/dbraw/zinc/28/26/06/552282606.db2.gz SSLPUYSZYWNJHA-UHFFFAOYSA-N 0 0 547.427 3.703 50 0 KHAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)OC ZINC000003062431 552283210 /nfs/dbraw/zinc/28/32/10/552283210.db2.gz YHCLBUGZVANYAQ-UHFFFAOYSA-N 0 0 514.987 3.682 50 0 KHAARN CN1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000003062447 552283155 /nfs/dbraw/zinc/28/31/55/552283155.db2.gz GGVQHQRRYCKMMG-UHFFFAOYSA-N 0 0 510.015 3.721 50 0 KHAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000003062478 552283463 /nfs/dbraw/zinc/28/34/63/552283463.db2.gz OOZIUHNCVVEJJW-UHFFFAOYSA-N 0 0 538.025 3.671 50 0 KHAARN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3N(C)C2=O)c1 ZINC000003064268 552284423 /nfs/dbraw/zinc/28/44/23/552284423.db2.gz JRXDUZOCJQTIHP-BUVRLJJBSA-N 0 0 507.637 3.725 50 0 KHAARN 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ZINC000003436228 552386699 /nfs/dbraw/zinc/38/66/99/552386699.db2.gz KBJHPNIEDYCKRM-UHFFFAOYSA-N 0 0 528.428 3.911 50 0 KHAARN CC[C@@H](c1nnc(Sc2nc(C)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)N(C)C ZINC000003438561 552386819 /nfs/dbraw/zinc/38/68/19/552386819.db2.gz YIZFRFSMAYFDGK-SFHVURJKSA-N 0 0 501.726 3.966 50 0 KHAARN CC[C@H](c1nnc(Sc2nc(C)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)N(C)C ZINC000003438563 552386911 /nfs/dbraw/zinc/38/69/11/552386911.db2.gz YIZFRFSMAYFDGK-GOSISDBHSA-N 0 0 501.726 3.966 50 0 KHAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)c1 ZINC000003439608 552387179 /nfs/dbraw/zinc/38/71/79/552387179.db2.gz SBPRVQVIYRZIBK-UHFFFAOYSA-N 0 0 524.595 3.600 50 0 KHAARN CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000003441151 552387455 /nfs/dbraw/zinc/38/74/55/552387455.db2.gz USCUTMIVIGFCEW-PMACEKPBSA-N 0 0 513.685 3.909 50 0 KHAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000003441155 552387465 /nfs/dbraw/zinc/38/74/65/552387465.db2.gz USCUTMIVIGFCEW-WOJBJXKFSA-N 0 0 513.685 3.909 50 0 KHAARN CC[C@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000003441158 552387389 /nfs/dbraw/zinc/38/73/89/552387389.db2.gz USCUTMIVIGFCEW-VQTJNVASSA-N 0 0 513.685 3.909 50 0 KHAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000003442032 552387751 /nfs/dbraw/zinc/38/77/51/552387751.db2.gz KVEKYUXSZLWFBI-QFIPXVFZSA-N 0 0 563.101 3.878 50 0 KHAARN COc1cc(NC(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)cc(OC)c1 ZINC000003442829 552388003 /nfs/dbraw/zinc/38/80/03/552388003.db2.gz DFHAZEOYGUAYFX-HNNXBMFYSA-N 0 0 569.567 3.669 50 0 KHAARN COc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc32)cc(OC)c1 ZINC000003442833 552388015 /nfs/dbraw/zinc/38/80/15/552388015.db2.gz DFHAZEOYGUAYFX-OAHLLOKOSA-N 0 0 569.567 3.669 50 0 KHAARN Cc1cccc(NC(=O)CNC(=O)COC(=O)c2cc(Br)c(Br)s2)c1C ZINC000003443391 552387984 /nfs/dbraw/zinc/38/79/84/552387984.db2.gz RACGZTSYZMOFTC-UHFFFAOYSA-N 0 0 504.200 3.802 50 0 KHAARN CCCn1c(N)c(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)c(=O)[nH]c1=O ZINC000003443445 552388048 /nfs/dbraw/zinc/38/80/48/552388048.db2.gz ZHWJSQNWVLVWLU-UHFFFAOYSA-N 0 0 514.970 3.544 50 0 KHAARN NC(=O)c1cc(NC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc(C(N)=O)c1 ZINC000003444580 552388256 /nfs/dbraw/zinc/38/82/56/552388256.db2.gz LPYGINJPGLTQTD-UHFFFAOYSA-N 0 0 502.914 3.549 50 0 KHAARN C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003450417 552388877 /nfs/dbraw/zinc/38/88/77/552388877.db2.gz RGESHQYGQVALPI-AWEZNQCLSA-N 0 0 546.577 3.754 50 0 KHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000003450421 552388868 /nfs/dbraw/zinc/38/88/68/552388868.db2.gz RGESHQYGQVALPI-CQSZACIVSA-N 0 0 546.577 3.754 50 0 KHAARN Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)c(=O)n(C)c1=O ZINC000003450622 552388879 /nfs/dbraw/zinc/38/88/79/552388879.db2.gz JQJDALYUFCGHKZ-UHFFFAOYSA-N 0 0 520.545 3.588 50 0 KHAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)c1 ZINC000003450682 552388852 /nfs/dbraw/zinc/38/88/52/552388852.db2.gz KMBXJCJMQFFAJL-UHFFFAOYSA-N 0 0 547.372 3.993 50 0 KHAARN CC(=O)Nc1sc2c(c1C(=O)OCC(=O)NCC(=O)Nc1ccc(Br)cc1C)CCCC2 ZINC000003450732 552388845 /nfs/dbraw/zinc/38/88/45/552388845.db2.gz FOBDNXLULLJXNS-UHFFFAOYSA-N 0 0 522.421 3.568 50 0 KHAARN CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000003450973 552389169 /nfs/dbraw/zinc/38/91/69/552389169.db2.gz XSBAKCLGQVXOPP-UHFFFAOYSA-N 0 0 515.383 3.844 50 0 KHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12 ZINC000003454962 552389426 /nfs/dbraw/zinc/38/94/26/552389426.db2.gz CKXQWOSNHREIGM-SFHVURJKSA-N 0 0 554.650 3.600 50 0 KHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12 ZINC000003454966 552389456 /nfs/dbraw/zinc/38/94/56/552389456.db2.gz CKXQWOSNHREIGM-GOSISDBHSA-N 0 0 554.650 3.600 50 0 KHAARN Cc1cc2oc(=O)cc(COC(=O)CCCNS(=O)(=O)c3cccc4nsnc43)c2cc1Cl ZINC000003456793 552389608 /nfs/dbraw/zinc/38/96/08/552389608.db2.gz BARGVGASYWFULJ-UHFFFAOYSA-N 0 0 507.977 3.561 50 0 KHAARN CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000003457271 552389644 /nfs/dbraw/zinc/38/96/44/552389644.db2.gz AOGPKUWIJLMYCC-UHFFFAOYSA-N 0 0 539.429 3.896 50 0 aggregator KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(I)cc1 ZINC000003515455 552390622 /nfs/dbraw/zinc/39/06/22/552390622.db2.gz LSTFFXTUFWIYII-UHFFFAOYSA-N 0 0 562.385 3.838 50 0 KHAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCc4ccccc43)c2)cc1Cl ZINC000003525663 552390971 /nfs/dbraw/zinc/39/09/71/552390971.db2.gz QCCSTJJPZFVVLR-UHFFFAOYSA-N 0 0 545.013 3.928 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc4cc(C)c5cc(C)cc(C)c5n43)CC2)cc1 ZINC000003534310 552391041 /nfs/dbraw/zinc/39/10/41/552391041.db2.gz BLJNWFZGPIHJPY-UHFFFAOYSA-N 0 0 523.684 3.741 50 0 KHAARN COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000003582295 552391238 /nfs/dbraw/zinc/39/12/38/552391238.db2.gz WNOUMEQRFOKRCI-UHFFFAOYSA-N 0 0 503.584 3.980 50 0 KHAARN O=C(NCCC1=CCCCC1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000003587871 552391775 /nfs/dbraw/zinc/39/17/75/552391775.db2.gz NUUSAAQJZUEPPY-UHFFFAOYSA-N 0 0 506.628 3.938 50 0 KHAARN COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 ZINC000003619141 552392833 /nfs/dbraw/zinc/39/28/33/552392833.db2.gz UDZHDCOTDYGVIG-UHFFFAOYSA-N 0 0 576.042 3.947 50 0 KHAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621578 552394161 /nfs/dbraw/zinc/39/41/61/552394161.db2.gz BSKGPIFXKUJMGA-SVBPBHIXSA-N 0 0 520.582 3.957 50 0 KHAARN COc1ccccc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000003621581 552394187 /nfs/dbraw/zinc/39/41/87/552394187.db2.gz BSKGPIFXKUJMGA-SXOMAYOGSA-N 0 0 520.582 3.957 50 0 KHAARN COc1ccccc1CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621584 552394164 /nfs/dbraw/zinc/39/41/64/552394164.db2.gz BSKGPIFXKUJMGA-RRPNLBNLSA-N 0 0 520.582 3.957 50 0 KHAARN COc1ccccc1CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003621588 552394177 /nfs/dbraw/zinc/39/41/77/552394177.db2.gz BSKGPIFXKUJMGA-KAYWLYCHSA-N 0 0 520.582 3.957 50 0 KHAARN CCOC(=O)C[C@H](NC(=O)c1cc2cc(Br)cc(OC)c2oc1=O)c1ccc(OC)cc1 ZINC000003623161 552395051 /nfs/dbraw/zinc/39/50/51/552395051.db2.gz NWHAVCGGVLBUNU-SFHVURJKSA-N 0 0 504.333 3.997 50 0 KHAARN CCOC(=O)C[C@@H](NC(=O)c1cc2cc(Br)cc(OC)c2oc1=O)c1ccc(OC)cc1 ZINC000003623162 552395105 /nfs/dbraw/zinc/39/51/05/552395105.db2.gz NWHAVCGGVLBUNU-GOSISDBHSA-N 0 0 504.333 3.997 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1)CCCC2 ZINC000003625040 552395387 /nfs/dbraw/zinc/39/53/87/552395387.db2.gz PJUMEJUJRRYFJV-UHFFFAOYSA-N 0 0 512.657 3.916 50 0 KHAARN CSc1nc2ccc(S(=O)(=O)NCCNS(=O)(=O)c3ccc4nc(SC)sc4c3)cc2s1 ZINC000003627244 552395776 /nfs/dbraw/zinc/39/57/76/552395776.db2.gz HMXAQVMZRKBJTF-UHFFFAOYSA-N 0 0 546.768 3.607 50 0 KHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)c1 ZINC000003629824 552396881 /nfs/dbraw/zinc/39/68/81/552396881.db2.gz FNNVSVGSTITRBC-UHFFFAOYSA-N 0 0 542.426 3.969 50 0 KHAARN COC(=O)c1cc(NC(=O)c2cc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)n3n2)cc(C(=O)OC)c1 ZINC000003629842 552396889 /nfs/dbraw/zinc/39/68/89/552396889.db2.gz KZPBJPCPWKPVLP-UHFFFAOYSA-N 0 0 542.426 3.969 50 0 KHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3[nH]c2=S)c1 ZINC000003630114 552397335 /nfs/dbraw/zinc/39/73/35/552397335.db2.gz MWUIZPJUXMRMMR-UHFFFAOYSA-N 0 0 502.596 3.654 50 0 KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3[nH]c2=S)c(OC)c1 ZINC000003630139 552397310 /nfs/dbraw/zinc/39/73/10/552397310.db2.gz OBGWTOBXXUPQME-UHFFFAOYSA-N 0 0 502.596 3.654 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630588 552397306 /nfs/dbraw/zinc/39/73/06/552397306.db2.gz OMYLNALOTQLXMD-NSOVKSMOSA-N 0 0 534.609 3.999 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630591 552397292 /nfs/dbraw/zinc/39/72/92/552397292.db2.gz OMYLNALOTQLXMD-IZLXSDGUSA-N 0 0 534.609 3.999 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630594 552397331 /nfs/dbraw/zinc/39/73/31/552397331.db2.gz OMYLNALOTQLXMD-WUFINQPMSA-N 0 0 534.609 3.999 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630596 552397294 /nfs/dbraw/zinc/39/72/94/552397294.db2.gz OMYLNALOTQLXMD-VSGBNLITSA-N 0 0 534.609 3.999 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000003630686 552397458 /nfs/dbraw/zinc/39/74/58/552397458.db2.gz YUSNBNMADPXDGA-UMGVMLDSSA-N 0 0 518.566 3.579 50 0 KHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3[nH]c2=S)c1 ZINC000003631338 552397480 /nfs/dbraw/zinc/39/74/80/552397480.db2.gz PVUIUCMQRUVSDT-UHFFFAOYSA-N 0 0 521.595 3.681 50 0 biogenic KHAARN COc1ccc(OC)c(-n2c(=O)c3ccc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)cc3[nH]c2=S)c1 ZINC000003631339 552397426 /nfs/dbraw/zinc/39/74/26/552397426.db2.gz RDOYXFOOQGDBDS-UHFFFAOYSA-N 0 0 523.567 3.970 50 0 KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3[nH]c2=S)c(OC)c1 ZINC000003631373 552397477 /nfs/dbraw/zinc/39/74/77/552397477.db2.gz CFLZDKGLQZGPDW-UHFFFAOYSA-N 0 0 521.595 3.681 50 0 biogenic KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)cc3[nH]c2=S)c(OC)c1 ZINC000003631375 552397418 /nfs/dbraw/zinc/39/74/18/552397418.db2.gz FVHHHFZHZPRQHD-UHFFFAOYSA-N 0 0 523.567 3.970 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)c(OC)c2)c3=O)cc1OC ZINC000003632153 552397687 /nfs/dbraw/zinc/39/76/87/552397687.db2.gz QCLYMDQMUFXJFV-UHFFFAOYSA-N 0 0 521.595 3.681 50 0 biogenic KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)cc3[nH]c2=S)cc1OC ZINC000003632155 552397758 /nfs/dbraw/zinc/39/77/58/552397758.db2.gz IILUWVNVFZONCW-UHFFFAOYSA-N 0 0 523.567 3.970 50 0 KHAARN COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1OC ZINC000003632414 552397908 /nfs/dbraw/zinc/39/79/08/552397908.db2.gz AQLIDABNCCZFKC-UHFFFAOYSA-N 0 0 529.622 3.896 50 0 KHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(F)cc2)c1 ZINC000003632437 552397989 /nfs/dbraw/zinc/39/79/89/552397989.db2.gz QFPWHIKBYKKYMB-UHFFFAOYSA-N 0 0 582.683 3.626 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000003632448 552397994 /nfs/dbraw/zinc/39/79/94/552397994.db2.gz UCDGXKMBOQHBIP-UHFFFAOYSA-N 0 0 513.623 3.952 50 0 KHAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1 ZINC000003632453 552397947 /nfs/dbraw/zinc/39/79/47/552397947.db2.gz LSWFPDMWUQPETJ-UHFFFAOYSA-N 0 0 517.586 3.783 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)COc2ccccc2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000003632457 552397959 /nfs/dbraw/zinc/39/79/59/552397959.db2.gz OWUODXVIRLENMT-UHFFFAOYSA-N 0 0 529.622 3.653 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2cccs2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000003632490 552397979 /nfs/dbraw/zinc/39/79/79/552397979.db2.gz PUFHPCUMKAWXLK-UHFFFAOYSA-N 0 0 505.625 3.949 50 0 KHAARN Cc1ccc(C)c(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000003632515 552398234 /nfs/dbraw/zinc/39/82/34/552398234.db2.gz SLKIBOVXEVTSFS-UHFFFAOYSA-N 0 0 508.629 3.767 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3cccs3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000003632535 552398223 /nfs/dbraw/zinc/39/82/23/552398223.db2.gz KMTSHPLDNSDDEP-UHFFFAOYSA-N 0 0 535.651 3.957 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3cccs3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000003632538 552398237 /nfs/dbraw/zinc/39/82/37/552398237.db2.gz PHVCKGDDVHIPPO-UHFFFAOYSA-N 0 0 500.631 3.845 50 0 KHAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2OC)c1 ZINC000003632558 552398209 /nfs/dbraw/zinc/39/82/09/552398209.db2.gz FGQNKODEWNITSW-UHFFFAOYSA-N 0 0 529.622 3.896 50 0 KHAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2cc(OC)ccc2OC)c1 ZINC000003632569 552398246 /nfs/dbraw/zinc/39/82/46/552398246.db2.gz XCKMSZBZBCYEMK-UHFFFAOYSA-N 0 0 559.648 3.905 50 0 KHAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)c1 ZINC000003632575 552398210 /nfs/dbraw/zinc/39/82/10/552398210.db2.gz CZUWSGGPEKKUGN-UHFFFAOYSA-N 0 0 528.591 3.541 50 0 KHAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2OC)c1 ZINC000003632578 552398238 /nfs/dbraw/zinc/39/82/38/552398238.db2.gz UOHOZVQPHJMCPK-UHFFFAOYSA-N 0 0 559.648 3.905 50 0 KHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)cc1OC ZINC000003632584 552398244 /nfs/dbraw/zinc/39/82/44/552398244.db2.gz KIQCLNTZAWMACY-UHFFFAOYSA-N 0 0 524.628 3.710 50 0 KHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1OC ZINC000003632588 552398207 /nfs/dbraw/zinc/39/82/07/552398207.db2.gz 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC ZINC000003668509 552409925 /nfs/dbraw/zinc/40/99/25/552409925.db2.gz XRUWRTXUYNXCCY-QFDNUGPTSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC ZINC000003668511 552409957 /nfs/dbraw/zinc/40/99/57/552409957.db2.gz XRUWRTXUYNXCCY-MZANGIHLSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000003668782 552410173 /nfs/dbraw/zinc/41/01/73/552410173.db2.gz VAXDGQHFMIPPMD-GJFKPFFXSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000003668784 552410191 /nfs/dbraw/zinc/41/01/91/552410191.db2.gz VAXDGQHFMIPPMD-LWUPDDLQSA-N 0 0 500.576 3.666 50 0 KHAARN COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CSc3nncn3C)cc2s1 ZINC000003668840 552410224 /nfs/dbraw/zinc/41/02/24/552410224.db2.gz NBBJSSGGKWDHLE-UHFFFAOYSA-N 0 0 500.631 3.895 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000003669870 552410884 /nfs/dbraw/zinc/41/08/84/552410884.db2.gz QLBJIOUCDVEMPM-QFDNUGPTSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000003669872 552410893 /nfs/dbraw/zinc/41/08/93/552410893.db2.gz QLBJIOUCDVEMPM-MZANGIHLSA-N 0 0 540.597 3.673 50 0 KHAARN Cc1c(NC(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)c(=O)n(-c2ccccc2)n1C ZINC000003670119 552410863 /nfs/dbraw/zinc/41/08/63/552410863.db2.gz GTYZVLGHOISMHL-UHFFFAOYSA-N 0 0 538.431 3.808 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000003670450 552411197 /nfs/dbraw/zinc/41/11/97/552411197.db2.gz QDRKZJMQQDVPDR-VWLOTQADSA-N 0 0 542.386 3.989 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(OC)cc2OC)cc1 ZINC000003670451 552411181 /nfs/dbraw/zinc/41/11/81/552411181.db2.gz QDRKZJMQQDVPDR-RUZDIDTESA-N 0 0 542.386 3.989 50 0 KHAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCc2ccccc2OC)c1 ZINC000003670498 552411425 /nfs/dbraw/zinc/41/14/25/552411425.db2.gz SRMVGPXTTDBZKE-XMMPIXPASA-N 0 0 512.360 3.980 50 0 KHAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCc2ccccc2OC)c1 ZINC000003670499 552411380 /nfs/dbraw/zinc/41/13/80/552411380.db2.gz SRMVGPXTTDBZKE-DEOSSOPVSA-N 0 0 512.360 3.980 50 0 KHAARN COc1ccc2[nH]cc(CCNC(=O)/C(=C/c3cn(S(=O)(=O)N(C)C)c4ccccc34)NC(=O)c3ccccc3)c2c1 ZINC000003765519 552414141 /nfs/dbraw/zinc/41/41/41/552414141.db2.gz NULOAFJNZJDMOB-QRQIAZFYSA-N 0 0 585.686 3.916 50 0 KHAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000003765524 552414121 /nfs/dbraw/zinc/41/41/21/552414121.db2.gz ZZTNMEOCMDQRTQ-IMRQLAEWSA-N 0 0 555.660 3.907 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1cccs1 ZINC000003766360 552414615 /nfs/dbraw/zinc/41/46/15/552414615.db2.gz QOVABTZWJWXZGF-MYXKAAJQSA-N 0 0 541.654 3.777 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1cccs1 ZINC000003766362 552414608 /nfs/dbraw/zinc/41/46/08/552414608.db2.gz QOVABTZWJWXZGF-QQYUXEJHSA-N 0 0 541.654 3.777 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccs1 ZINC000003766368 552414620 /nfs/dbraw/zinc/41/46/20/552414620.db2.gz SGSORKYIFQOMCI-WNOSOOIWSA-N 0 0 516.600 3.726 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccs1 ZINC000003766370 552414628 /nfs/dbraw/zinc/41/46/28/552414628.db2.gz SGSORKYIFQOMCI-OBVMJLIASA-N 0 0 516.600 3.726 50 0 KHAARN COc1ccc(NC(=O)[C@H](C)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)c(OC)c1 ZINC000003766544 552414897 /nfs/dbraw/zinc/41/48/97/552414897.db2.gz XIKLRVCFVMYUHA-IBGZPJMESA-N 0 0 515.566 3.598 50 0 KHAARN COc1ccc(NC(=O)[C@@H](C)N(Cc2ccccc2C)C(=O)CN2c3ccccc3C(=O)C2=O)c(OC)c1 ZINC000003766545 552414867 /nfs/dbraw/zinc/41/48/67/552414867.db2.gz XIKLRVCFVMYUHA-LJQANCHMSA-N 0 0 515.566 3.598 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000003768387 552415167 /nfs/dbraw/zinc/41/51/67/552415167.db2.gz LOGJZBBZNSCMLS-SJJVXOANSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000003768389 552415161 /nfs/dbraw/zinc/41/51/61/552415161.db2.gz LOGJZBBZNSCMLS-GTWFGUSFSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000003770479 552415817 /nfs/dbraw/zinc/41/58/17/552415817.db2.gz WAGYGTBDFABNBU-QKSFETHESA-N 0 0 506.624 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000003770481 552415891 /nfs/dbraw/zinc/41/58/91/552415891.db2.gz WAGYGTBDFABNBU-ZDQFFALBSA-N 0 0 506.624 3.984 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000003770523 552415851 /nfs/dbraw/zinc/41/58/51/552415851.db2.gz AOUKEYBDIJTSEJ-HCWVEKLQSA-N 0 0 526.614 3.953 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000003770525 552415802 /nfs/dbraw/zinc/41/58/02/552415802.db2.gz AOUKEYBDIJTSEJ-UXAZKMGBSA-N 0 0 526.614 3.953 50 0 KHAARN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000003830999 552419484 /nfs/dbraw/zinc/41/94/84/552419484.db2.gz AUYYCJSJGJYCDS-LBPRGKRZSA-N 0 0 650.976 3.953 50 0 endogenous,fda KHAARN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000003831000 552419505 /nfs/dbraw/zinc/41/95/05/552419505.db2.gz AUYYCJSJGJYCDS-GFCCVEGCSA-N 0 0 650.976 3.953 50 0 biogenic,investigational KHAARN CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000003956807 552423923 /nfs/dbraw/zinc/42/39/23/552423923.db2.gz GCZABPLTDYVJMP-CBUXHAPBSA-N 0 0 504.491 3.583 50 0 biogenic,in-vitro KHAARN CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000003956808 552423905 /nfs/dbraw/zinc/42/39/05/552423905.db2.gz GCZABPLTDYVJMP-QUIZSENMSA-N 0 0 504.491 3.583 50 0 biogenic KHAARN COC(=O)c1cc(OC)c(NC(=S)NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000003959769 552423900 /nfs/dbraw/zinc/42/39/00/552423900.db2.gz DOWGRTBIZWIGFM-UHFFFAOYSA-N 0 0 517.991 3.805 50 0 KHAARN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004014618 552426262 /nfs/dbraw/zinc/42/62/62/552426262.db2.gz UBTJZUKVKGZHAD-KCHLEUMXSA-N 0 0 544.604 3.519 50 0 KHAARN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004014620 291816515 /nfs/dbraw/zinc/81/65/15/291816515.db2.gz UBTJZUKVKGZHAD-HZFUHODCSA-N 0 0 544.604 3.519 50 0 KHAARN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004014624 291816853 /nfs/dbraw/zinc/81/68/53/291816853.db2.gz UBTJZUKVKGZHAD-PKTNWEFCSA-N 0 0 544.604 3.519 50 0 KHAARN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004014629 552426290 /nfs/dbraw/zinc/42/62/90/552426290.db2.gz UBTJZUKVKGZHAD-OZNIXHKMSA-N 0 0 544.604 3.519 50 0 KHAARN CCOC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000004015551 552426811 /nfs/dbraw/zinc/42/68/11/552426811.db2.gz MEVOLEFFTCAKRG-RUZDIDTESA-N 0 0 534.565 3.919 50 0 KHAARN CCOC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000004015552 552426794 /nfs/dbraw/zinc/42/67/94/552426794.db2.gz MEVOLEFFTCAKRG-VWLOTQADSA-N 0 0 534.565 3.919 50 0 KHAARN CCOC(=O)[C@@H](Cc1ccc(OC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)cc1)NC(=O)OCc1ccccc1 ZINC000004016581 552427577 /nfs/dbraw/zinc/42/75/77/552427577.db2.gz YKLAYXMOIRGZMG-AOYPEHQESA-N 0 0 599.681 3.658 50 0 KHAARN CCOC(=O)[C@H](Cc1ccc(OC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)cc1)NC(=O)OCc1ccccc1 ZINC000004016582 552427619 /nfs/dbraw/zinc/42/76/19/552427619.db2.gz YKLAYXMOIRGZMG-AZGAKELHSA-N 0 0 599.681 3.658 50 0 KHAARN CCOC(=O)[C@@H](Cc1ccc(OC(=O)[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)cc1)NC(=O)OCc1ccccc1 ZINC000004016583 552427579 /nfs/dbraw/zinc/42/75/79/552427579.db2.gz YKLAYXMOIRGZMG-RSXGOPAZSA-N 0 0 599.681 3.658 50 0 KHAARN CCOC(=O)[C@H](Cc1ccc(OC(=O)[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)cc1)NC(=O)OCc1ccccc1 ZINC000004016584 552427615 /nfs/dbraw/zinc/42/76/15/552427615.db2.gz YKLAYXMOIRGZMG-AHWVRZQESA-N 0 0 599.681 3.658 50 0 KHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000004017040 552428105 /nfs/dbraw/zinc/42/81/05/552428105.db2.gz RNWLPMXLRWTEFT-YDPTYEFTSA-N 0 0 739.911 3.687 50 0 KHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000004017041 552428126 /nfs/dbraw/zinc/42/81/26/552428126.db2.gz RNWLPMXLRWTEFT-RACKDBBVSA-N 0 0 739.911 3.687 50 0 KHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000004017042 552428099 /nfs/dbraw/zinc/42/80/99/552428099.db2.gz 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O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O)NCCc1ccccc1 ZINC000004189001 552447635 /nfs/dbraw/zinc/44/76/35/552447635.db2.gz WHBNLCDOKWAZHC-UHFFFAOYSA-N 0 0 531.056 3.980 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccc(F)cc2)CN3c2ccccc2)cc1 ZINC000004189584 552447923 /nfs/dbraw/zinc/44/79/23/552447923.db2.gz RAFRYJXHUBQKRB-UHFFFAOYSA-N 0 0 528.628 3.986 50 0 KHAARN O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(NS(=O)(=O)Nc2ccccc2)CCCCC1 ZINC000004195835 552447961 /nfs/dbraw/zinc/44/79/61/552447961.db2.gz COHMURAPNGBSIZ-UHFFFAOYSA-N 0 0 520.015 3.681 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000004211770 552449446 /nfs/dbraw/zinc/44/94/46/552449446.db2.gz NVWKBSLLNBNPIT-WQLLJXGDSA-N 0 0 517.390 3.834 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccccc1Cl ZINC000004211771 552449540 /nfs/dbraw/zinc/44/95/40/552449540.db2.gz NVWKBSLLNBNPIT-YOGOOIESSA-N 0 0 517.390 3.834 50 0 KHAARN 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CCOC(=O)c1ccc2ncc(C(=O)OCC)c(N(CCCOC(=O)C(F)(F)F)C(=O)C(F)(F)F)c2c1 ZINC000004352792 552457729 /nfs/dbraw/zinc/45/77/29/552457729.db2.gz QMAHKFNEYIDMBN-UHFFFAOYSA-N 0 0 538.397 3.979 50 0 KHAARN CC(C)[NH2+]C[C@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-] ZINC000004352855 552457920 /nfs/dbraw/zinc/45/79/20/552457920.db2.gz NJTQWSKCNSQLNO-ZONZVBGPSA-N 0 0 563.603 3.649 50 0 KHAARN COc1ccc(N(C(=O)c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2F)cc1 ZINC000004422738 552460106 /nfs/dbraw/zinc/46/01/06/552460106.db2.gz JUACYRQXPAQUPI-PKTZIBPZSA-N 0 0 501.507 3.643 50 0 KHAARN COc1ccc(N(C(=O)c2ccccc2F)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2F)cc1 ZINC000004422740 552460055 /nfs/dbraw/zinc/46/00/55/552460055.db2.gz JUACYRQXPAQUPI-GOTSBHOMSA-N 0 0 501.507 3.643 50 0 KHAARN COc1ccc(N(C(=O)c2ccccc2F)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2F)cc1 ZINC000004422743 552460087 /nfs/dbraw/zinc/46/00/87/552460087.db2.gz JUACYRQXPAQUPI-DHIUTWEWSA-N 0 0 501.507 3.643 50 0 KHAARN COc1ccc(N(C(=O)c2ccccc2F)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2F)cc1 ZINC000004422746 552460047 /nfs/dbraw/zinc/46/00/47/552460047.db2.gz JUACYRQXPAQUPI-XZOQPEGZSA-N 0 0 501.507 3.643 50 0 KHAARN COC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000004425478 552460418 /nfs/dbraw/zinc/46/04/18/552460418.db2.gz FQGDHIAFDYFGJB-TWJOJJKGSA-N 0 0 564.683 3.645 50 0 biogenic KHAARN COC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000004425484 552460445 /nfs/dbraw/zinc/46/04/45/552460445.db2.gz FQGDHIAFDYFGJB-UODIDJSMSA-N 0 0 564.683 3.645 50 0 biogenic KHAARN CCOC(=O)CN(CC(=O)OCC)c1ccc(C)cc1OCCOc1cc(C)ccc1N(CC(=O)OCC)CC(=O)OCC ZINC000004513740 552462253 /nfs/dbraw/zinc/46/22/53/552462253.db2.gz OXCQLMMAUQWEPI-UHFFFAOYSA-N 0 0 616.708 3.626 50 0 KHAARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000004520832 552462268 /nfs/dbraw/zinc/46/22/68/552462268.db2.gz HXHLOTZJJVFSTN-SFHVURJKSA-N 0 0 510.568 3.695 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000004528691 552463126 /nfs/dbraw/zinc/46/31/26/552463126.db2.gz ICTPGSGAGLCWMF-HSZRJFAPSA-N 0 0 510.568 3.552 50 0 KHAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000004544657 552465475 /nfs/dbraw/zinc/46/54/75/552465475.db2.gz JRRARHJPRLAGNT-VWLOTQADSA-N 0 0 550.637 3.570 50 0 KHAARN Cc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000004544658 552465424 /nfs/dbraw/zinc/46/54/24/552465424.db2.gz JRRARHJPRLAGNT-RUZDIDTESA-N 0 0 550.637 3.570 50 0 KHAARN O=C(N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552309 552466894 /nfs/dbraw/zinc/46/68/94/552466894.db2.gz AIJAKDWIPKLHEV-SXOMAYOGSA-N 0 0 526.593 3.718 50 0 KHAARN O=C(N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552310 552466833 /nfs/dbraw/zinc/46/68/33/552466833.db2.gz AIJAKDWIPKLHEV-KAYWLYCHSA-N 0 0 526.593 3.718 50 0 KHAARN O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552311 552466918 /nfs/dbraw/zinc/46/69/18/552466918.db2.gz AIJAKDWIPKLHEV-SVBPBHIXSA-N 0 0 526.593 3.718 50 0 KHAARN O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000004552312 552466927 /nfs/dbraw/zinc/46/69/27/552466927.db2.gz AIJAKDWIPKLHEV-RRPNLBNLSA-N 0 0 526.593 3.718 50 0 KHAARN CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000004556982 552467247 /nfs/dbraw/zinc/46/72/47/552467247.db2.gz WZBJWHQRQDEKOF-UHFFFAOYSA-N 0 0 511.442 3.535 50 0 KHAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)c1ccc(F)cc1 ZINC000004577457 552468730 /nfs/dbraw/zinc/46/87/30/552468730.db2.gz VSROSTKWOULPMJ-UHFFFAOYSA-N 0 0 534.066 3.628 50 0 KHAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)Nc4cccc(C)c4)cc32)c1C ZINC000004622565 552469148 /nfs/dbraw/zinc/46/91/48/552469148.db2.gz GMQVJEIOPDFQTP-KRWDZBQOSA-N 0 0 565.604 3.797 50 0 KHAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004647201 552470352 /nfs/dbraw/zinc/47/03/52/552470352.db2.gz AAJQWOBAGXHDQL-IBGZPJMESA-N 0 0 524.595 3.553 50 0 KHAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004647202 552470323 /nfs/dbraw/zinc/47/03/23/552470323.db2.gz AAJQWOBAGXHDQL-LJQANCHMSA-N 0 0 524.595 3.553 50 0 KHAARN CCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000004647378 552470669 /nfs/dbraw/zinc/47/06/69/552470669.db2.gz GFJSPNNHJBBGGQ-CTNGQTDRSA-N 0 0 538.645 3.942 50 0 KHAARN O=C(NCCC1=CCCCC1)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O ZINC000004647484 552470868 /nfs/dbraw/zinc/47/08/68/552470868.db2.gz RQUOZEGOQMFNTG-UHFFFAOYSA-N 0 0 509.584 3.720 50 0 KHAARN O=C(NCCc1ccc(Cl)cc1)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O ZINC000004647518 552470786 /nfs/dbraw/zinc/47/07/86/552470786.db2.gz KVTQLTTZPCUBRR-UHFFFAOYSA-N 0 0 539.997 3.726 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000004647686 552470742 /nfs/dbraw/zinc/47/07/42/552470742.db2.gz DVCUSPOOOWYGQA-AWEZNQCLSA-N 0 0 517.510 3.908 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000004647687 552471030 /nfs/dbraw/zinc/47/10/30/552471030.db2.gz DVCUSPOOOWYGQA-CQSZACIVSA-N 0 0 517.510 3.908 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCc3ccc(OC)c(OC)c3)c(O)c2c1 ZINC000004654435 552471207 /nfs/dbraw/zinc/47/12/07/552471207.db2.gz FYHVXPGRHHHOPU-UHFFFAOYSA-N 0 0 535.622 3.733 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OCC)cc1 ZINC000004654494 552471023 /nfs/dbraw/zinc/47/10/23/552471023.db2.gz AKRYBDZHKBFVCP-UHFFFAOYSA-N 0 0 506.588 3.843 50 0 KHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c(O)c3c2)cc1 ZINC000004654502 552471222 /nfs/dbraw/zinc/47/12/22/552471222.db2.gz IGQAXFRHUKSSJL-UHFFFAOYSA-N 0 0 565.648 3.742 50 0 KHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(O)c2c1 ZINC000004654578 552471436 /nfs/dbraw/zinc/47/14/36/552471436.db2.gz STCHNDNMHIZDSE-UHFFFAOYSA-N 0 0 519.579 3.710 50 0 KHAARN O=C(c1cnc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1O)N(CCc1ccccc1)Cc1ccccc1 ZINC000004654580 552471498 /nfs/dbraw/zinc/47/14/98/552471498.db2.gz QNAWOUUPYVLGKG-UHFFFAOYSA-N 0 0 587.698 3.941 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733224 552473839 /nfs/dbraw/zinc/47/38/39/552473839.db2.gz IITHMNMZZFZTTE-DNQXCXABSA-N 0 0 507.543 3.674 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733226 552473898 /nfs/dbraw/zinc/47/38/98/552473898.db2.gz IITHMNMZZFZTTE-RPWUZVMVSA-N 0 0 507.543 3.674 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733228 552473834 /nfs/dbraw/zinc/47/38/34/552473834.db2.gz IITHMNMZZFZTTE-BJKOFHAPSA-N 0 0 507.543 3.674 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733231 552473830 /nfs/dbraw/zinc/47/38/30/552473830.db2.gz IITHMNMZZFZTTE-ZEQRLZLVSA-N 0 0 507.543 3.674 50 0 KHAARN COc1cc(OC)cc(C(=O)Nn2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c1 ZINC000004734158 552474048 /nfs/dbraw/zinc/47/40/48/552474048.db2.gz YRZAKNQEPFDQJX-UHFFFAOYSA-N 0 0 530.556 3.504 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000004756634 552475440 /nfs/dbraw/zinc/47/54/40/552475440.db2.gz AYMKQSAKXFDWCK-YIXXDRMTSA-N 0 0 524.614 3.998 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000004756635 552475461 /nfs/dbraw/zinc/47/54/61/552475461.db2.gz AYMKQSAKXFDWCK-WNCULLNHSA-N 0 0 524.614 3.998 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000004756637 552475519 /nfs/dbraw/zinc/47/55/19/552475519.db2.gz AYMKQSAKXFDWCK-KCWPFWIISA-N 0 0 524.614 3.998 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000004756640 552475448 /nfs/dbraw/zinc/47/54/48/552475448.db2.gz AYMKQSAKXFDWCK-HOFKKMOUSA-N 0 0 524.614 3.998 50 0 KHAARN COc1cc(OC)cc(C(=O)Nn2cc(C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3c2=O)c1 ZINC000004757304 552475981 /nfs/dbraw/zinc/47/59/81/552475981.db2.gz UCYNOWFPHWSGBI-UHFFFAOYSA-N 0 0 503.511 3.672 50 0 KHAARN COc1cc(OC)cc(C(=O)Nn2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c1 ZINC000004757309 552475949 /nfs/dbraw/zinc/47/59/49/552475949.db2.gz QTXZQYSROLEPBN-UHFFFAOYSA-N 0 0 533.537 3.681 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccccn3)C2=S)cc1 ZINC000004762249 552479059 /nfs/dbraw/zinc/47/90/59/552479059.db2.gz JETKRXLYASRSOU-QFIPXVFZSA-N 0 0 506.559 3.929 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccccn3)C2=S)cc1 ZINC000004762251 552479049 /nfs/dbraw/zinc/47/90/49/552479049.db2.gz JETKRXLYASRSOU-JOCHJYFZSA-N 0 0 506.559 3.929 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762262 552479057 /nfs/dbraw/zinc/47/90/57/552479057.db2.gz ULPQZTHOLKLSJV-HSZRJFAPSA-N 0 0 518.595 3.798 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762264 552479061 /nfs/dbraw/zinc/47/90/61/552479061.db2.gz ULPQZTHOLKLSJV-QHCPKHFHSA-N 0 0 518.595 3.798 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762279 552479106 /nfs/dbraw/zinc/47/91/06/552479106.db2.gz LKLMRRDBTVPWSG-XMMPIXPASA-N 0 0 560.632 3.966 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762280 552479120 /nfs/dbraw/zinc/47/91/20/552479120.db2.gz LKLMRRDBTVPWSG-DEOSSOPVSA-N 0 0 560.632 3.966 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762283 552479104 /nfs/dbraw/zinc/47/91/04/552479104.db2.gz QRXQWTXLJCEIDQ-HSZRJFAPSA-N 0 0 518.595 3.798 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2Cc2ccccn2)cc1 ZINC000004762287 552479100 /nfs/dbraw/zinc/47/91/00/552479100.db2.gz QRXQWTXLJCEIDQ-QHCPKHFHSA-N 0 0 518.595 3.798 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(C(=O)OCC)c3)N(Cc3ccccn3)C2=S)cc1 ZINC000004762349 552479464 /nfs/dbraw/zinc/47/94/64/552479464.db2.gz GMFDWDHAGSVXEP-DEOSSOPVSA-N 0 0 560.632 3.966 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(C(=O)OCC)c3)N(Cc3ccccn3)C2=S)cc1 ZINC000004762353 552479438 /nfs/dbraw/zinc/47/94/38/552479438.db2.gz GMFDWDHAGSVXEP-XMMPIXPASA-N 0 0 560.632 3.966 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1 ZINC000004762909 552479474 /nfs/dbraw/zinc/47/94/74/552479474.db2.gz YONXHKOCDRAELN-OAQYLSRUSA-N 0 0 504.077 3.948 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)CC1 ZINC000004762912 552479413 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/nfs/dbraw/zinc/47/98/87/552479887.db2.gz RQEANPMLLFVIBK-GJZUVCINSA-N 0 0 505.571 3.917 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccn3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004765950 552479869 /nfs/dbraw/zinc/47/98/69/552479869.db2.gz RQEANPMLLFVIBK-BKMJKUGQSA-N 0 0 505.571 3.917 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)NCc3ccccn3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004765955 552479967 /nfs/dbraw/zinc/47/99/67/552479967.db2.gz RQEANPMLLFVIBK-NVQXNPDNSA-N 0 0 505.571 3.917 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004765957 552479926 /nfs/dbraw/zinc/47/99/26/552479926.db2.gz ZNTUNDVKGBTKNZ-ATIYNZHBSA-N 0 0 505.571 3.917 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004765960 552479940 /nfs/dbraw/zinc/47/99/40/552479940.db2.gz ZNTUNDVKGBTKNZ-GJZUVCINSA-N 0 0 505.571 3.917 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000004765965 552479863 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/nfs/dbraw/zinc/48/05/86/552480586.db2.gz WYKGUJLBEIJJAZ-UHFFFAOYSA-N 0 0 522.527 3.914 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)CC1 ZINC000004766566 552480567 /nfs/dbraw/zinc/48/05/67/552480567.db2.gz MQKXJRYYQWNOTQ-UHFFFAOYSA-N 0 0 519.827 3.543 50 0 KHAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)cc3)c(=O)c2cc1OC ZINC000004766728 552480668 /nfs/dbraw/zinc/48/06/68/552480668.db2.gz IRRMEODQCJZATP-UHFFFAOYSA-N 0 0 549.027 3.680 50 0 KHAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)c(=O)c2cc1OC ZINC000004766731 552480631 /nfs/dbraw/zinc/48/06/31/552480631.db2.gz RXRKLEJGSJZDFX-UHFFFAOYSA-N 0 0 568.552 3.737 50 0 KHAARN COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2cc1OC ZINC000004766775 552480687 /nfs/dbraw/zinc/48/06/87/552480687.db2.gz LETALHRMDKRKIY-UHFFFAOYSA-N 0 0 548.562 3.635 50 0 KHAARN CCOC(=O)c1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2C(=O)OCC)CC1 ZINC000004767827 552481212 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JNOBJQKPCFSTNJ-UHFFFAOYSA-N 0 0 588.108 3.652 50 0 KHAARN Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)N4CCN(c5ccccc5)CC4)c3=O)cc2)cc1 ZINC000004790173 552483455 /nfs/dbraw/zinc/48/34/55/552483455.db2.gz NOMGZCPKNKFGKV-UHFFFAOYSA-N 0 0 601.707 3.799 50 0 KHAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790459 552483451 /nfs/dbraw/zinc/48/34/51/552483451.db2.gz YPOMMXYPQQFYJN-FQLXRVMXSA-N 0 0 527.621 3.898 50 0 KHAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790462 552483352 /nfs/dbraw/zinc/48/33/52/552483352.db2.gz YPOMMXYPQQFYJN-URLMMPGGSA-N 0 0 527.621 3.898 50 0 KHAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790465 552483357 /nfs/dbraw/zinc/48/33/57/552483357.db2.gz YPOMMXYPQQFYJN-WDYNHAJCSA-N 0 0 527.621 3.898 50 0 KHAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3C(=O)N1CC2 ZINC000004790469 552483409 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552484408 /nfs/dbraw/zinc/48/44/08/552484408.db2.gz HMABYRQNCBNRDW-UHFFFAOYSA-N 0 0 564.639 3.689 50 0 KHAARN COc1ccc(C)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O ZINC000004790975 552484436 /nfs/dbraw/zinc/48/44/36/552484436.db2.gz VOXUFZMRWFMHJL-UHFFFAOYSA-N 0 0 564.639 3.607 50 0 KHAARN CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1 ZINC000004790995 552484379 /nfs/dbraw/zinc/48/43/79/552484379.db2.gz GZGQDPKESKXXFO-UHFFFAOYSA-N 0 0 548.640 3.853 50 0 KHAARN CCc1ccccc1N(C)C(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O ZINC000004791018 552484359 /nfs/dbraw/zinc/48/43/59/552484359.db2.gz GEBQHZSRHRAKMS-UHFFFAOYSA-N 0 0 562.667 3.877 50 0 KHAARN Cc1ccc(N(C)C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1C ZINC000004791050 552484356 /nfs/dbraw/zinc/48/43/56/552484356.db2.gz XHZIPYCAEZCNDO-UHFFFAOYSA-N 0 0 562.667 3.931 50 0 KHAARN Cc1cccc(N(C)C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)c1 ZINC000004791059 552484656 /nfs/dbraw/zinc/48/46/56/552484656.db2.gz QDCYPGCONFQQFK-UHFFFAOYSA-N 0 0 548.640 3.623 50 0 KHAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCC(O)(c5cccc(C(F)(F)F)c5)CC4)ccc3c2=O)cc1 ZINC000004791510 552484601 /nfs/dbraw/zinc/48/46/01/552484601.db2.gz PCWAZYBARDZPIJ-UHFFFAOYSA-N 0 0 553.537 3.889 50 0 KHAARN O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000004791719 552484726 /nfs/dbraw/zinc/48/47/26/552484726.db2.gz GNMKUVKRZNAQNB-UHFFFAOYSA-N 0 0 554.363 3.762 50 0 KHAARN O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004794051 552485558 /nfs/dbraw/zinc/48/55/58/552485558.db2.gz PUHHCELFVKJJLL-NRFANRHFSA-N 0 0 520.474 3.879 50 0 KHAARN O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000004794054 552485484 /nfs/dbraw/zinc/48/54/84/552485484.db2.gz PUHHCELFVKJJLL-OAQYLSRUSA-N 0 0 520.474 3.879 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004794075 552485596 /nfs/dbraw/zinc/48/55/96/552485596.db2.gz SMJCXIXFXXPNDC-UHFFFAOYSA-N 0 0 532.913 3.914 50 0 KHAARN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1C ZINC000004794078 552485464 /nfs/dbraw/zinc/48/54/64/552485464.db2.gz PWPFDTXQVPOXSX-UHFFFAOYSA-N 0 0 526.522 3.877 50 0 KHAARN Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)C[C@@H]2C)cc1 ZINC000004794094 552485897 /nfs/dbraw/zinc/48/58/97/552485897.db2.gz NQDGSRCTCAAOHT-KRWDZBQOSA-N 0 0 526.522 3.957 50 0 KHAARN Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)C[C@H]2C)cc1 ZINC000004794096 552485891 /nfs/dbraw/zinc/48/58/91/552485891.db2.gz NQDGSRCTCAAOHT-QGZVFWFLSA-N 0 0 526.522 3.957 50 0 KHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000004794139 552485881 /nfs/dbraw/zinc/48/58/81/552485881.db2.gz LXUFMTWSDBKQBW-OAHLLOKOSA-N 0 0 532.913 3.914 50 0 KHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000004794141 552485887 /nfs/dbraw/zinc/48/58/87/552485887.db2.gz LXUFMTWSDBKQBW-HNNXBMFYSA-N 0 0 532.913 3.914 50 0 KHAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004794148 552485909 /nfs/dbraw/zinc/48/59/09/552485909.db2.gz ASKNRUGECRRVAI-OAHLLOKOSA-N 0 0 532.913 3.914 50 0 aggregator KHAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004794152 552485892 /nfs/dbraw/zinc/48/58/92/552485892.db2.gz ASKNRUGECRRVAI-HNNXBMFYSA-N 0 0 532.913 3.914 50 0 aggregator KHAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1C ZINC000004794155 552485905 /nfs/dbraw/zinc/48/59/05/552485905.db2.gz NOISTBZBSKDTMG-GOSISDBHSA-N 0 0 526.522 3.877 50 0 KHAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1C ZINC000004794157 552485916 /nfs/dbraw/zinc/48/59/16/552485916.db2.gz NOISTBZBSKDTMG-SFHVURJKSA-N 0 0 526.522 3.877 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1 ZINC000004794158 552485886 /nfs/dbraw/zinc/48/58/86/552485886.db2.gz IMBCPGGMGCQJLT-GOSISDBHSA-N 0 0 526.522 3.877 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)s4)C3)CC2)c1 ZINC000004794160 552485910 /nfs/dbraw/zinc/48/59/10/552485910.db2.gz IMBCPGGMGCQJLT-SFHVURJKSA-N 0 0 526.522 3.877 50 0 KHAARN COc1cccc(N2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1 ZINC000004794189 552485914 /nfs/dbraw/zinc/48/59/14/552485914.db2.gz RVHVFSAVJQANDZ-UHFFFAOYSA-N 0 0 556.548 3.953 50 0 KHAARN O=C(C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004794191 552486179 /nfs/dbraw/zinc/48/61/79/552486179.db2.gz HBSAZNKTKANYSL-UHFFFAOYSA-N 0 0 526.522 3.944 50 0 KHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000004794231 552486094 /nfs/dbraw/zinc/48/60/94/552486094.db2.gz YIIIJULXDYRUDW-JOCHJYFZSA-N 0 0 576.538 3.952 50 0 KHAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000004794232 552486150 /nfs/dbraw/zinc/48/61/50/552486150.db2.gz YIIIJULXDYRUDW-QFIPXVFZSA-N 0 0 576.538 3.952 50 0 KHAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004794234 552486127 /nfs/dbraw/zinc/48/61/27/552486127.db2.gz ZJKFZBVRUOHVJP-FQEVSTJZSA-N 0 0 552.491 3.888 50 0 KHAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004794236 552486085 /nfs/dbraw/zinc/48/60/85/552486085.db2.gz ZJKFZBVRUOHVJP-HXUWFJFHSA-N 0 0 552.491 3.888 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800083 552486819 /nfs/dbraw/zinc/48/68/19/552486819.db2.gz JRNOASBGIVATNU-PDDLMNHVSA-N 0 0 543.620 3.871 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800084 552486765 /nfs/dbraw/zinc/48/67/65/552486765.db2.gz JRNOASBGIVATNU-VIZCGCQYSA-N 0 0 543.620 3.871 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800085 552486836 /nfs/dbraw/zinc/48/68/36/552486836.db2.gz JRNOASBGIVATNU-FREGXXQWSA-N 0 0 543.620 3.871 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800086 552486823 /nfs/dbraw/zinc/48/68/23/552486823.db2.gz JRNOASBGIVATNU-YZNIXAGQSA-N 0 0 543.620 3.871 50 0 KHAARN CC1(C)O[C@H]2[C@@H](O1)[C@@H](n1ccc(=O)[nH]c1=O)O[C@H]2COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004916497 552489549 /nfs/dbraw/zinc/48/95/49/552489549.db2.gz XVGDBKLBNXKLMP-VWEWBFCZSA-N 0 0 526.589 3.963 50 0 KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005023363 552492168 /nfs/dbraw/zinc/49/21/68/552492168.db2.gz CKRMEAQSAWWREQ-JWQCQUIFSA-N 0 0 522.623 3.821 50 0 KHAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005023366 552492193 /nfs/dbraw/zinc/49/21/93/552492193.db2.gz CKRMEAQSAWWREQ-LOSJGSFVSA-N 0 0 522.623 3.821 50 0 KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005023367 552492134 /nfs/dbraw/zinc/49/21/34/552492134.db2.gz CKRMEAQSAWWREQ-RPBOFIJWSA-N 0 0 522.623 3.821 50 0 KHAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000005023370 552492092 /nfs/dbraw/zinc/49/20/92/552492092.db2.gz CKRMEAQSAWWREQ-DQEYMECFSA-N 0 0 522.623 3.821 50 0 KHAARN O=C(CNC(=O)OCc1ccccc1)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005221470 552494693 /nfs/dbraw/zinc/49/46/93/552494693.db2.gz VQGFHUMSSSAJLJ-RUZDIDTESA-N 0 0 518.566 3.665 50 0 biogenic KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000005225233 552495546 /nfs/dbraw/zinc/49/55/46/552495546.db2.gz LECRUBXXIWFOTI-GOSISDBHSA-N 0 0 518.657 3.837 50 0 biogenic KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000005225237 552495561 /nfs/dbraw/zinc/49/55/61/552495561.db2.gz LECRUBXXIWFOTI-SFHVURJKSA-N 0 0 518.657 3.837 50 0 biogenic KHAARN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005225551 552495563 /nfs/dbraw/zinc/49/55/63/552495563.db2.gz NWSAPOVDIHNPRA-GPRIDDLASA-N 0 0 612.635 3.976 50 0 KHAARN Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005225555 552495568 /nfs/dbraw/zinc/49/55/68/552495568.db2.gz NWSAPOVDIHNPRA-VNDOHOEKSA-N 0 0 612.635 3.976 50 0 KHAARN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005225564 552495542 /nfs/dbraw/zinc/49/55/42/552495542.db2.gz NWSAPOVDIHNPRA-PJCXANEISA-N 0 0 612.635 3.976 50 0 KHAARN Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000005225567 552495533 /nfs/dbraw/zinc/49/55/33/552495533.db2.gz NWSAPOVDIHNPRA-WPJHEWCLSA-N 0 0 612.635 3.976 50 0 KHAARN CCOC(=O)[C@](NC(=O)COc1ccccc1)(Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F ZINC000005225998 552495870 /nfs/dbraw/zinc/49/58/70/552495870.db2.gz CGGVTKIDSNFPFG-QFIPXVFZSA-N 0 0 514.522 3.842 50 0 biogenic KHAARN CCOC(=O)[C@@](NC(=O)COc1ccccc1)(Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F ZINC000005226002 552495762 /nfs/dbraw/zinc/49/57/62/552495762.db2.gz CGGVTKIDSNFPFG-JOCHJYFZSA-N 0 0 514.522 3.842 50 0 biogenic KHAARN CC(=O)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000005239369 552495775 /nfs/dbraw/zinc/49/57/75/552495775.db2.gz GCZABPLTDYVJMP-GFXAMXPBSA-N 0 0 504.491 3.583 50 0 biogenic KHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005707037 552507186 /nfs/dbraw/zinc/50/71/86/552507186.db2.gz RRRJTMPSYKCMGZ-UPVQGACJSA-N 0 0 512.603 3.897 50 0 KHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005707038 552507188 /nfs/dbraw/zinc/50/71/88/552507188.db2.gz RRRJTMPSYKCMGZ-LADGPHEKSA-N 0 0 512.603 3.897 50 0 KHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005707039 552507174 /nfs/dbraw/zinc/50/71/74/552507174.db2.gz RRRJTMPSYKCMGZ-VWNXMTODSA-N 0 0 512.603 3.897 50 0 KHAARN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005707040 552507170 /nfs/dbraw/zinc/50/71/70/552507170.db2.gz RRRJTMPSYKCMGZ-ISKFKSNPSA-N 0 0 512.603 3.897 50 0 KHAARN CCCCOC(=O)NC(=O)c1cc2cc(I)cc(I)c2oc1=O ZINC000005809691 552509811 /nfs/dbraw/zinc/50/98/11/552509811.db2.gz DCTCOYHGBLPROC-UHFFFAOYSA-N 0 0 541.079 3.669 50 0 KHAARN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)c1 ZINC000005941620 552514049 /nfs/dbraw/zinc/51/40/49/552514049.db2.gz RORVKTBYRJHFSN-UHFFFAOYSA-N 0 0 501.630 3.915 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c2ccncc2)cc1 ZINC000005946961 552515592 /nfs/dbraw/zinc/51/55/92/552515592.db2.gz OSXDLIACSACQRR-UHFFFAOYSA-N 0 0 572.709 3.630 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000005948154 552515783 /nfs/dbraw/zinc/51/57/83/552515783.db2.gz ZYAFLBQQAUXQBP-HSZRJFAPSA-N 0 0 502.596 3.785 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccnc2)cc1 ZINC000005948156 552515748 /nfs/dbraw/zinc/51/57/48/552515748.db2.gz ZYAFLBQQAUXQBP-QHCPKHFHSA-N 0 0 502.596 3.785 50 0 KHAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(OCC)c1OCC ZINC000005948468 552516082 /nfs/dbraw/zinc/51/60/82/552516082.db2.gz RLJVHLNYYWSATP-UHFFFAOYSA-N 0 0 514.648 3.678 50 0 KHAARN Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005987154 552517865 /nfs/dbraw/zinc/51/78/65/552517865.db2.gz MELVKXPHWSISOA-KUOTXRDYSA-N 0 0 511.669 3.899 50 0 KHAARN CC1=NN(C(=O)CSc2nnc(SCC(=O)N3N=C(C)C[C@@]3(O)c3ccccc3)s2)[C@](O)(c2ccccc2)C1 ZINC000006003892 552518147 /nfs/dbraw/zinc/51/81/47/552518147.db2.gz KXYIQDMDGXBJFM-CLJLJLNGSA-N 0 0 582.733 3.629 50 0 KHAARN CC1=NN(C(=O)CSc2nnc(SCC(=O)N3N=C(C)C[C@]3(O)c3ccccc3)s2)[C@](O)(c2ccccc2)C1 ZINC000006003900 552518095 /nfs/dbraw/zinc/51/80/95/552518095.db2.gz KXYIQDMDGXBJFM-WMPKNSHKSA-N 0 0 582.733 3.629 50 0 KHAARN CC1=NN(C(=O)CSc2nnc(SCC(=O)N3N=C(C)C[C@]3(O)c3ccccc3)s2)[C@@](O)(c2ccccc2)C1 ZINC000006003912 552518152 /nfs/dbraw/zinc/51/81/52/552518152.db2.gz KXYIQDMDGXBJFM-UIOOFZCWSA-N 0 0 582.733 3.629 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000006033930 552520630 /nfs/dbraw/zinc/52/06/30/552520630.db2.gz RKWHZIPSHXVRPL-UHFFFAOYSA-N 0 0 545.702 3.748 50 0 KHAARN COc1cc(C=CC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000006056319 1066534751 /nfs/dbraw/zinc/53/47/51/1066534751.db2.gz BIYDOTCYXWIKDZ-JYRVWZFOSA-N 0 0 564.616 3.853 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)ccc2N(C(C)=O)C1(C)C ZINC000006073667 552521746 /nfs/dbraw/zinc/52/17/46/552521746.db2.gz RMIKQXGOJLTBOZ-UHFFFAOYSA-N 0 0 621.711 3.632 50 0 KHAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)ccc1OCC)[nH]c2=O ZINC000006079550 552529872 /nfs/dbraw/zinc/52/98/72/552529872.db2.gz BTXDFGAOFBDPGY-JOCHJYFZSA-N 0 0 536.658 3.986 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)c(OC)c1)n2CC ZINC000006094905 552534273 /nfs/dbraw/zinc/53/42/73/552534273.db2.gz QWDPEBWFEDFZRX-UHFFFAOYSA-N 0 0 506.650 3.835 50 0 KHAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cc(=O)n2cc(Br)ccc2n1 ZINC000006095185 552534236 /nfs/dbraw/zinc/53/42/36/552534236.db2.gz BIDZYBREMGRCFW-UHFFFAOYSA-N 0 0 522.450 3.547 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n2CC ZINC000006095255 552534270 /nfs/dbraw/zinc/53/42/70/552534270.db2.gz HAAPLOKAVPDAPT-UHFFFAOYSA-N 0 0 506.650 3.835 50 0 KHAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006130510 552534873 /nfs/dbraw/zinc/53/48/73/552534873.db2.gz NBCOLHKJBQZJLU-FQEVSTJZSA-N 0 0 548.621 3.778 50 0 KHAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006130512 552534859 /nfs/dbraw/zinc/53/48/59/552534859.db2.gz NBCOLHKJBQZJLU-HXUWFJFHSA-N 0 0 548.621 3.778 50 0 KHAARN 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CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c(O)c2c1 ZINC000006181359 552561789 /nfs/dbraw/zinc/56/17/89/552561789.db2.gz AOOPOJSMBVQSJX-UHFFFAOYSA-N 0 0 548.640 3.840 50 0 KHAARN COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3c2O)cc1OC ZINC000006181434 552562210 /nfs/dbraw/zinc/56/22/10/552562210.db2.gz HOYDSOUZQFZORK-UHFFFAOYSA-N 0 0 535.622 3.935 50 0 KHAARN COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccccc4C)cc3c2O)cc1OC ZINC000006181448 552562085 /nfs/dbraw/zinc/56/20/85/552562085.db2.gz IJEQPSRDIRIRJI-UHFFFAOYSA-N 0 0 521.595 3.627 50 0 KHAARN CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc5c(c4)OCO5)c(O)c3c2)cc1 ZINC000006181496 552562288 /nfs/dbraw/zinc/56/22/88/552562288.db2.gz VWUBZJPAHHYYKT-UHFFFAOYSA-N 0 0 505.552 3.550 50 0 KHAARN CCc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(O)c2c1 ZINC000006181504 552562233 /nfs/dbraw/zinc/56/22/33/552562233.db2.gz CRVCLQDCLZAETC-UHFFFAOYSA-N 0 0 505.552 3.550 50 0 KHAARN C[C@H](NC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O)c1ccccc1 ZINC000006181505 552562298 /nfs/dbraw/zinc/56/22/98/552562298.db2.gz YXQHSQLKOOADDR-INIZCTEOSA-N 0 0 505.552 3.591 50 0 KHAARN C[C@@H](NC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1O)c1ccccc1 ZINC000006181506 552562131 /nfs/dbraw/zinc/56/21/31/552562131.db2.gz YXQHSQLKOOADDR-MRXNPFEDSA-N 0 0 505.552 3.591 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccccc4OC)c(O)c3c2)cc1 ZINC000006181512 552562045 /nfs/dbraw/zinc/56/20/45/552562045.db2.gz OTOFHNKSGFTYTF-UHFFFAOYSA-N 0 0 507.568 3.666 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)c(O)c3c2)cc1 ZINC000006181514 552562256 /nfs/dbraw/zinc/56/22/56/552562256.db2.gz YZKUUNSHTIPULH-KRWDZBQOSA-N 0 0 549.605 3.990 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)c(O)c3c2)cc1 ZINC000006181515 552562278 /nfs/dbraw/zinc/56/22/78/552562278.db2.gz YZKUUNSHTIPULH-QGZVFWFLSA-N 0 0 549.605 3.990 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCCc4ccc(OC)c(OC)c4)c(O)c3c2)cc1 ZINC000006181516 552562266 /nfs/dbraw/zinc/56/22/66/552562266.db2.gz ZAOJQLYKMVAYDO-UHFFFAOYSA-N 0 0 551.621 3.717 50 0 KHAARN COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3c2O)cc1OC ZINC000006181529 552562612 /nfs/dbraw/zinc/56/26/12/552562612.db2.gz JYBAHTFGEHENBI-UHFFFAOYSA-N 0 0 535.622 3.935 50 0 KHAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncc(C(=O)NCc4ccc5c(c4)OCO5)c(O)c3c2)c1 ZINC000006181531 552562662 /nfs/dbraw/zinc/56/26/62/552562662.db2.gz PNYOVXCXTWATHP-UHFFFAOYSA-N 0 0 505.552 3.604 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 ZINC000006184122 552562633 /nfs/dbraw/zinc/56/26/33/552562633.db2.gz XEJIOUCCQQUYKS-JGCGQSQUSA-N 0 0 507.037 3.571 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 ZINC000006184123 552562546 /nfs/dbraw/zinc/56/25/46/552562546.db2.gz XEJIOUCCQQUYKS-YTTGMZPUSA-N 0 0 507.037 3.571 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1 ZINC000006184129 552562645 /nfs/dbraw/zinc/56/26/45/552562645.db2.gz FZZJMZDJFKMAHY-MGBGTMOVSA-N 0 0 500.646 3.534 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)cc1 ZINC000006184130 552562954 /nfs/dbraw/zinc/56/29/54/552562954.db2.gz FZZJMZDJFKMAHY-XIFFEERXSA-N 0 0 500.646 3.534 50 0 KHAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006184154 552562959 /nfs/dbraw/zinc/56/29/59/552562959.db2.gz QMCLJAANFNWIKE-MGBGTMOVSA-N 0 0 519.048 3.715 50 0 KHAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006184155 552562989 /nfs/dbraw/zinc/56/29/89/552562989.db2.gz QMCLJAANFNWIKE-XIFFEERXSA-N 0 0 519.048 3.715 50 0 KHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)C[S@](=O)C3)c1C ZINC000006184161 552562951 /nfs/dbraw/zinc/56/29/51/552562951.db2.gz TYCMJBIGACRHFD-UUWRZZSWSA-N 0 0 512.657 3.678 50 0 KHAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCCC4)cc2)C[S@@](=O)C3)c1C ZINC000006184162 552562948 /nfs/dbraw/zinc/56/29/48/552562948.db2.gz TYCMJBIGACRHFD-UMSFTDKQSA-N 0 0 512.657 3.678 50 0 KHAARN CC(C)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000006190868 552564295 /nfs/dbraw/zinc/56/42/95/552564295.db2.gz WNKCUNOKKGIEMW-RUZDIDTESA-N 0 0 527.668 3.513 50 0 KHAARN C=CC(=O)N1c2ccccc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000006191006 552564563 /nfs/dbraw/zinc/56/45/63/552564563.db2.gz LKKDLWDJGUPTFR-UHFFFAOYSA-N 0 0 603.696 3.790 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006226367 552570859 /nfs/dbraw/zinc/57/08/59/552570859.db2.gz FGJCKDZFEFGXMR-FJWZAKCXSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006226407 193872389 /nfs/dbraw/zinc/87/23/89/193872389.db2.gz VJDLXSFJVKGNHW-WVWKGNOCSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000006226419 552570864 /nfs/dbraw/zinc/57/08/64/552570864.db2.gz VVLSSMDATQEAIE-GTENMVSRSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006226421 193872430 /nfs/dbraw/zinc/87/24/30/193872430.db2.gz FGJCKDZFEFGXMR-RQLGBQGVSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000006226427 552570867 /nfs/dbraw/zinc/57/08/67/552570867.db2.gz VJDLXSFJVKGNHW-IMEWXKHHSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006227041 552570878 /nfs/dbraw/zinc/57/08/78/552570878.db2.gz LFMLSHLLNDWFOJ-WVWKGNOCSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006227058 552570868 /nfs/dbraw/zinc/57/08/68/552570868.db2.gz LFMLSHLLNDWFOJ-IMEWXKHHSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227173 552570872 /nfs/dbraw/zinc/57/08/72/552570872.db2.gz YWJQDAMMNWFDRE-WPUHHHFCSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227183 552570855 /nfs/dbraw/zinc/57/08/55/552570855.db2.gz YWJQDAMMNWFDRE-RJFKIUDMSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227190 552570857 /nfs/dbraw/zinc/57/08/57/552570857.db2.gz WKQPGPQTHNIMHR-WWFXOLRUSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227192 193872699 /nfs/dbraw/zinc/87/26/99/193872699.db2.gz WKQPGPQTHNIMHR-HTCWZNLXSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227194 552570853 /nfs/dbraw/zinc/57/08/53/552570853.db2.gz RJHLUWDZQMUFOF-WALVNQSHSA-N 0 0 542.613 3.747 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227197 552570860 /nfs/dbraw/zinc/57/08/60/552570860.db2.gz RJHLUWDZQMUFOF-CINCIDGWSA-N 0 0 542.613 3.747 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227308 552571203 /nfs/dbraw/zinc/57/12/03/552571203.db2.gz GZHVNCQXZHEMQH-LMVGNEGFSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227310 552571201 /nfs/dbraw/zinc/57/12/01/552571201.db2.gz GZHVNCQXZHEMQH-JYXZFHPPSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227801 552571538 /nfs/dbraw/zinc/57/15/38/552571538.db2.gz CKJRXXDEBZLIHU-WALVNQSHSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227804 552571561 /nfs/dbraw/zinc/57/15/61/552571561.db2.gz CKJRXXDEBZLIHU-CINCIDGWSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006227825 193873335 /nfs/dbraw/zinc/87/33/35/193873335.db2.gz ZHRMBRJTRFOMAB-DIXABZHVSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006227828 193873141 /nfs/dbraw/zinc/87/31/41/193873141.db2.gz ZHRMBRJTRFOMAB-WNRWPCNTSA-N 0 0 500.576 3.666 50 0 KHAARN CCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000006235142 552571828 /nfs/dbraw/zinc/57/18/28/552571828.db2.gz FBOBQDQPLVPYDD-QUCCMNQESA-N 0 0 524.618 3.552 50 0 KHAARN CCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000006235148 552572010 /nfs/dbraw/zinc/57/20/10/552572010.db2.gz GEMOMWKOKWTBRD-IRLDBZIGSA-N 0 0 578.691 3.574 50 0 KHAARN O=C(NC1CC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000006235182 552572051 /nfs/dbraw/zinc/57/20/51/552572051.db2.gz VGMOGWCLSMXPGU-MJGOQNOKSA-N 0 0 539.057 3.818 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000006237791 552572258 /nfs/dbraw/zinc/57/22/58/552572258.db2.gz KARUYJAXFJEJNA-NLZIUFDSSA-N 0 0 504.608 3.631 50 0 KHAARN O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000006238470 193874281 /nfs/dbraw/zinc/87/42/81/193874281.db2.gz ZARAMVRSZITSKS-UHFFFAOYSA-N 0 0 537.041 3.944 50 0 KHAARN Cc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000006238472 552572270 /nfs/dbraw/zinc/57/22/70/552572270.db2.gz VCQKWTGPRFAMLD-UHFFFAOYSA-N 0 0 516.623 3.599 50 0 KHAARN O=C(NCc1ccccc1Cl)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000006238475 193874399 /nfs/dbraw/zinc/87/43/99/193874399.db2.gz KHVZDQAOOMWVKV-UHFFFAOYSA-N 0 0 523.014 3.901 50 0 KHAARN Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000006238477 193874336 /nfs/dbraw/zinc/87/43/36/193874336.db2.gz OXLIRUPFRCMTJX-UHFFFAOYSA-N 0 0 502.596 3.556 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)c1 ZINC000006242537 193875821 /nfs/dbraw/zinc/87/58/21/193875821.db2.gz SVMOSFMYAUQLJB-ASSGYOTOSA-N 0 0 511.603 3.891 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)c1 ZINC000006243437 552573316 /nfs/dbraw/zinc/57/33/16/552573316.db2.gz SVMOSFMYAUQLJB-OGRZUZBBSA-N 0 0 511.603 3.891 50 0 KHAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNN=c3[nH]c4cc(S(=O)(=O)N5CCOCC5)ccc4o3)C2=O)c(C)c1 ZINC000006244416 552573259 /nfs/dbraw/zinc/57/32/59/552573259.db2.gz DNWAFAVEFHLSIT-QJOMJCCJSA-N 0 0 573.631 3.610 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2ccc(C)cc2)cc1OC ZINC000006245078 552573674 /nfs/dbraw/zinc/57/36/74/552573674.db2.gz QURVGSWZQGLBKC-UHFFFAOYSA-N 0 0 501.630 3.511 50 0 KHAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCc3ccccc3OC)c(O)c2c1 ZINC000006296520 552578988 /nfs/dbraw/zinc/57/89/88/552578988.db2.gz KJIGVRDPYJNEQO-UHFFFAOYSA-N 0 0 505.596 3.990 50 0 KHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCN(c5ccccc5)CC4)c(O)c3c2)cc1 ZINC000006296676 552579014 /nfs/dbraw/zinc/57/90/14/552579014.db2.gz GAMIFQGEWJBSLQ-UHFFFAOYSA-N 0 0 546.649 3.714 50 0 KHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc5C4)c(O)c3c2)cc1 ZINC000006296677 552579074 /nfs/dbraw/zinc/57/90/74/552579074.db2.gz UARVKTJFYCDUST-UHFFFAOYSA-N 0 0 517.607 3.950 50 0 KHAARN Cc1cccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCN(c5ccccc5)CC4)c(O)c3c2)c1 ZINC000006296701 552579151 /nfs/dbraw/zinc/57/91/51/552579151.db2.gz OFLPHVHXERHDLJ-UHFFFAOYSA-N 0 0 516.623 3.624 50 0 KHAARN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(O)c2c1 ZINC000006296731 552579127 /nfs/dbraw/zinc/57/91/27/552579127.db2.gz HPZLNPXUPKSUJO-UHFFFAOYSA-N 0 0 517.607 3.950 50 0 KHAARN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCC3)c(O)c2c1 ZINC000006296742 552579364 /nfs/dbraw/zinc/57/93/64/552579364.db2.gz OFINYASMAYSJOP-UHFFFAOYSA-N 0 0 504.406 3.788 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(NC(C)=O)cc1)n2CC ZINC000006296957 552579661 /nfs/dbraw/zinc/57/96/61/552579661.db2.gz QPWYRCOYKOGKLF-UHFFFAOYSA-N 0 0 503.650 3.776 50 0 KHAARN COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1Cl ZINC000006297279 552579742 /nfs/dbraw/zinc/57/97/42/552579742.db2.gz FANHMCLPMKPPMK-UHFFFAOYSA-N 0 0 562.019 3.794 50 0 KHAARN Cc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000006302477 552580648 /nfs/dbraw/zinc/58/06/48/552580648.db2.gz VGTLEGHDIYVQQD-UHFFFAOYSA-N 0 0 502.596 3.556 50 0 KHAARN O=C(NCc1ccccc1Cl)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000006302487 552580677 /nfs/dbraw/zinc/58/06/77/552580677.db2.gz ZRFVSSYYDPIOTP-UHFFFAOYSA-N 0 0 523.014 3.901 50 0 KHAARN Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)NCc1ccccn1 ZINC000006303356 552580704 /nfs/dbraw/zinc/58/07/04/552580704.db2.gz MWYBWYBJIFJRII-UHFFFAOYSA-N 0 0 560.661 3.870 50 0 KHAARN C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000006328136 552581449 /nfs/dbraw/zinc/58/14/49/552581449.db2.gz IIJZQEOMHARBHP-IBGZPJMESA-N 0 0 502.596 3.809 50 0 KHAARN C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000006328137 552581476 /nfs/dbraw/zinc/58/14/76/552581476.db2.gz IIJZQEOMHARBHP-LJQANCHMSA-N 0 0 502.596 3.809 50 0 KHAARN O=C(c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)N1CCc2ccccc2C1 ZINC000006328139 552581444 /nfs/dbraw/zinc/58/14/44/552581444.db2.gz FMXZVKVOSMACNJ-UHFFFAOYSA-N 0 0 514.607 3.516 50 0 KHAARN CCn1c(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000006345812 552581446 /nfs/dbraw/zinc/58/14/46/552581446.db2.gz CFSNEGYNAKHQQN-UHFFFAOYSA-N 0 0 576.722 3.731 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1 ZINC000006348611 552581789 /nfs/dbraw/zinc/58/17/89/552581789.db2.gz BIRTZACVOCGPHK-DEOSSOPVSA-N 0 0 528.656 3.500 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc1 ZINC000006348612 552581778 /nfs/dbraw/zinc/58/17/78/552581778.db2.gz BIRTZACVOCGPHK-XMMPIXPASA-N 0 0 528.656 3.500 50 0 KHAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(I)ccc1I ZINC000006444923 552587362 /nfs/dbraw/zinc/58/73/62/552587362.db2.gz WSSGBISOSADUJK-UHFFFAOYSA-N 0 0 534.135 3.985 50 0 KHAARN CCCCOC[C@@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000006480777 552593593 /nfs/dbraw/zinc/59/35/93/552593593.db2.gz KPBXLCZGZGNIOY-AETJINEWSA-N 0 0 507.996 3.611 50 0 biogenic KHAARN CCCCOC[C@@H]1C[C@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000006480780 552593582 /nfs/dbraw/zinc/59/35/82/552593582.db2.gz KPBXLCZGZGNIOY-CVRXJBIPSA-N 0 0 507.996 3.611 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006487586 552594305 /nfs/dbraw/zinc/59/43/05/552594305.db2.gz LLYQBXMGOXMOGC-WWFXOLRUSA-N 0 0 574.655 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006487590 552594374 /nfs/dbraw/zinc/59/43/74/552594374.db2.gz LLYQBXMGOXMOGC-HTCWZNLXSA-N 0 0 574.655 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006487769 552594334 /nfs/dbraw/zinc/59/43/34/552594334.db2.gz KIDGAZZFPGRGOA-BUDOKORBSA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000006487796 552594288 /nfs/dbraw/zinc/59/42/88/552594288.db2.gz KIDGAZZFPGRGOA-OBXYEHHASA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006487866 552594580 /nfs/dbraw/zinc/59/45/80/552594580.db2.gz WDSKBRJAIZMOPA-YOKWNPFVSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000006487877 552594561 /nfs/dbraw/zinc/59/45/61/552594561.db2.gz WDSKBRJAIZMOPA-NWKGEQBZSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006487887 552594527 /nfs/dbraw/zinc/59/45/27/552594527.db2.gz MYZQLTVIUIPLSE-IMEWXKHHSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000006488125 552594535 /nfs/dbraw/zinc/59/45/35/552594535.db2.gz JMCTXJWWDPRIQT-YOKWNPFVSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000006488175 552594503 /nfs/dbraw/zinc/59/45/03/552594503.db2.gz RFIBIXYCJPBILM-GTENMVSRSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000006488179 552594585 /nfs/dbraw/zinc/59/45/85/552594585.db2.gz JMCTXJWWDPRIQT-NWKGEQBZSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000006488232 552594564 /nfs/dbraw/zinc/59/45/64/552594564.db2.gz RFIBIXYCJPBILM-OXRZLYTFSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000006488482 552594762 /nfs/dbraw/zinc/59/47/62/552594762.db2.gz XXUVPQQJKRATQK-UBXANZILSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000006488489 552594767 /nfs/dbraw/zinc/59/47/67/552594767.db2.gz XXUVPQQJKRATQK-YMFQVDJJSA-N 0 0 513.413 3.569 50 0 KHAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)ccc1OCC)[nH]c2=O ZINC000006488868 552594926 /nfs/dbraw/zinc/59/49/26/552594926.db2.gz BTXDFGAOFBDPGY-QFIPXVFZSA-N 0 0 536.658 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006488914 552594897 /nfs/dbraw/zinc/59/48/97/552594897.db2.gz LDLHTPJSBJQPJY-JWWRODRKSA-N 0 0 517.390 3.834 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000006488918 552594924 /nfs/dbraw/zinc/59/49/24/552594924.db2.gz LDLHTPJSBJQPJY-ZAFGODJCSA-N 0 0 517.390 3.834 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000006489308 552595606 /nfs/dbraw/zinc/59/56/06/552595606.db2.gz ZFUNJSSRTVMWOX-UBXANZILSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006489311 552595558 /nfs/dbraw/zinc/59/55/58/552595558.db2.gz ZFUNJSSRTVMWOX-YMFQVDJJSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006489326 552595568 /nfs/dbraw/zinc/59/55/68/552595568.db2.gz JATOTANBXWRFEI-WALVNQSHSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006489341 552595611 /nfs/dbraw/zinc/59/56/11/552595611.db2.gz JATOTANBXWRFEI-CINCIDGWSA-N 0 0 514.603 3.969 50 0 KHAARN COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Sc2ccccn2)cc1Sc1ccccn1 ZINC000006489593 552595743 /nfs/dbraw/zinc/59/57/43/552595743.db2.gz CSNPXCMLZLLLMN-UHFFFAOYSA-N 0 0 503.627 3.587 50 0 KHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1n[nH]c(-c2cc(OC)cc(OC)c2)n1 ZINC000006492012 552595690 /nfs/dbraw/zinc/59/56/90/552595690.db2.gz QCZMZCGNGPULFQ-UHFFFAOYSA-N 0 0 504.590 3.969 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006500750 552595984 /nfs/dbraw/zinc/59/59/84/552595984.db2.gz SIDWKGOYPFOOAJ-RUZDIDTESA-N 0 0 566.705 3.696 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006500766 552595967 /nfs/dbraw/zinc/59/59/67/552595967.db2.gz SIDWKGOYPFOOAJ-VWLOTQADSA-N 0 0 566.705 3.696 50 0 KHAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C(=O)N(CC)CC)C3)cc2)C1 ZINC000006511107 552597106 /nfs/dbraw/zinc/59/71/06/552597106.db2.gz GPFCZCVDCGSKEQ-FGZHOGPDSA-N 0 0 528.698 3.911 50 0 KHAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C(=O)N(CC)CC)C3)cc2)C1 ZINC000006511110 552597074 /nfs/dbraw/zinc/59/70/74/552597074.db2.gz GPFCZCVDCGSKEQ-VXKWHMMOSA-N 0 0 528.698 3.911 50 0 KHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)N(CC)CC)c3)CC2)ccc1Cl ZINC000006511937 552597479 /nfs/dbraw/zinc/59/74/79/552597479.db2.gz GFOGUTWCEAVRSX-UHFFFAOYSA-N 0 0 633.620 3.653 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006545026 552598023 /nfs/dbraw/zinc/59/80/23/552598023.db2.gz HEDXUZAXTRYPBL-ZMUHTPIZSA-N 0 0 610.857 3.771 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000006545029 552598018 /nfs/dbraw/zinc/59/80/18/552598018.db2.gz HEDXUZAXTRYPBL-OLROSQPISA-N 0 0 610.857 3.771 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006545030 552598075 /nfs/dbraw/zinc/59/80/75/552598075.db2.gz SMNRSUVYAUPXIV-DKOMQPSQSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000006545034 552598046 /nfs/dbraw/zinc/59/80/46/552598046.db2.gz SMNRSUVYAUPXIV-IZBTWGKQSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(=O)OCC)c1C ZINC000006599492 552601105 /nfs/dbraw/zinc/60/11/05/552601105.db2.gz VZVOMRRQTXGENQ-UHFFFAOYSA-N 0 0 508.618 3.837 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000006600492 552602673 /nfs/dbraw/zinc/60/26/73/552602673.db2.gz OJXJFHGWKNZSAB-QEAZDKCCSA-N 0 0 532.618 3.787 50 0 KHAARN CC[C@@H](C(=O)NCCC(C)C)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006631832 552971838 /nfs/dbraw/zinc/97/18/38/552971838.db2.gz LUTXLXCUXBHPSU-QFIPXVFZSA-N 0 0 508.623 3.640 50 0 KHAARN COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc32)c1 ZINC000006717510 552972397 /nfs/dbraw/zinc/97/23/97/552972397.db2.gz JFHROPTYMMSOLG-UHFFFAOYSA-N 0 0 518.595 3.929 50 0 investigational KHAARN CC[C@H](C(=O)NCCC(C)C)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006821167 552972736 /nfs/dbraw/zinc/97/27/36/552972736.db2.gz LUTXLXCUXBHPSU-JOCHJYFZSA-N 0 0 508.623 3.640 50 0 KHAARN IC(I)=C(I)I ZINC000006827597 552974238 /nfs/dbraw/zinc/97/42/38/552974238.db2.gz ZGQURDGVBSSDNF-UHFFFAOYSA-N 0 0 531.638 3.853 50 0 KHAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(SCC(=O)Nc2ccccc2C(=O)OC)s1 ZINC000006904244 552976658 /nfs/dbraw/zinc/97/66/58/552976658.db2.gz DQZJURMCVHIENK-UHFFFAOYSA-N 0 0 532.625 3.573 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@@H]2CCCO2)c(OC)c1 ZINC000006924567 552979336 /nfs/dbraw/zinc/97/93/36/552979336.db2.gz DXBZMJDCRVKIJF-IBGZPJMESA-N 0 0 501.584 3.956 50 0 KHAARN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000008214547 291819738 /nfs/dbraw/zinc/81/97/38/291819738.db2.gz WXMARHKAXWRNDM-GAMIEDRGSA-N 0 0 576.771 3.538 50 0 biogenic,in-man KHAARN CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O ZINC000008214621 552984486 /nfs/dbraw/zinc/98/44/86/552984486.db2.gz JLPDBLFIVFSOCC-XYXFTTADSA-N 0 0 576.727 3.681 50 0 biogenic,investigational KHAARN COC(=O)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000008383832 552987645 /nfs/dbraw/zinc/98/76/45/552987645.db2.gz UCHGPHNXOCDKOS-RUZDIDTESA-N 0 0 527.577 3.800 50 0 KHAARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000008384291 552989208 /nfs/dbraw/zinc/98/92/08/552989208.db2.gz IWRWLAIEZAZDRT-WOJGMQOQSA-N 0 0 596.399 3.917 50 0 KHAARN COc1cc([C@@]23O[C@@H](c4cc5c(cc42)OCO5)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc(OC)c1OC ZINC000008384465 552989382 /nfs/dbraw/zinc/98/93/82/552989382.db2.gz WFSSHVDSUGLUHC-NLJXWPIHSA-N 0 0 501.491 3.575 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC(=C2C=CC(=C3SC(C(=O)OC)=C(C(=O)OC)S3)CC2)S1 ZINC000008385212 552990666 /nfs/dbraw/zinc/99/06/66/552990666.db2.gz IUCQYRQFWPUDHQ-UHFFFAOYSA-N 0 0 514.624 3.835 50 0 KHAARN Cc1cc(C)c(NC(=O)CN2CCOCCOCCN(CC(=O)Nc3c(C)cc(C)cc3C)CCOCCOCC2)c(C)c1 ZINC000008385791 552991266 /nfs/dbraw/zinc/99/12/66/552991266.db2.gz YNKHNWBXNBUSLM-UHFFFAOYSA-N 0 0 612.812 3.798 50 0 KHAARN COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2CN3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000008385820 552991352 /nfs/dbraw/zinc/99/13/52/552991352.db2.gz KFDDPVMIQMFHBI-JLIPXIIDSA-N 0 0 578.662 3.919 50 0 KHAARN COC(=O)[C@@H]1[C@@H](OC)[C@@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2CN3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000008385821 552991307 /nfs/dbraw/zinc/99/13/07/552991307.db2.gz KFDDPVMIQMFHBI-NRHMOFCOSA-N 0 0 578.662 3.919 50 0 KHAARN COC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)sc2c1[C@@H](C(=O)OC)CC2 ZINC000008386307 552991870 /nfs/dbraw/zinc/99/18/70/552991870.db2.gz OYXUWGYYXBEBBP-VIFPVBQESA-N 0 0 528.377 3.778 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc(Br)c2)NC(=O)c2ccccc2)cc1 ZINC000008386905 552992875 /nfs/dbraw/zinc/99/28/75/552992875.db2.gz RDTUUKYSXVGKCD-ZHZULCJRSA-N 0 0 500.374 3.506 50 0 KHAARN CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@@H]1C(N)=O ZINC000008387187 552993703 /nfs/dbraw/zinc/99/37/03/552993703.db2.gz YCFCMPUJZHWFAP-YXOGWZJSSA-N 0 0 679.859 3.849 50 0 KHAARN CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCC[C@H]1C(N)=O ZINC000008387191 552993693 /nfs/dbraw/zinc/99/36/93/552993693.db2.gz YCFCMPUJZHWFAP-QNRWOPMTSA-N 0 0 679.859 3.849 50 0 KHAARN COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1OC(C)C ZINC000008396082 552994575 /nfs/dbraw/zinc/99/45/75/552994575.db2.gz NJARIFGTDUTURT-JCMHNJIXSA-N 0 0 511.600 3.994 50 0 KHAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000008396090 552994594 /nfs/dbraw/zinc/99/45/94/552994594.db2.gz BERNWHATBGOALA-HYARGMPZSA-N 0 0 502.502 3.683 50 0 KHAARN COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000008396103 552994612 /nfs/dbraw/zinc/99/46/12/552994612.db2.gz KHAAIOMZYHADQJ-HZHRSRAPSA-N 0 0 528.565 3.861 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000008396944 552995999 /nfs/dbraw/zinc/99/59/99/552995999.db2.gz LWBLJCMHODZQIC-UHFFFAOYSA-N 0 0 566.746 3.885 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008398729 552999653 /nfs/dbraw/zinc/99/96/53/552999653.db2.gz OBOMQHBXQPCFBE-UBXANZILSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008398732 552999627 /nfs/dbraw/zinc/99/96/27/552999627.db2.gz OBOMQHBXQPCFBE-YMFQVDJJSA-N 0 0 513.413 3.569 50 0 KHAARN COc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(OC)c(Br)c2)cc1Br ZINC000008398963 553000094 /nfs/dbraw/zinc/00/00/94/553000094.db2.gz DGYYINKJKWRQBG-NSHDSACASA-N 0 0 500.187 3.777 50 0 KHAARN COc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ccc(OC)c(Br)c2)cc1Br ZINC000008398971 553000346 /nfs/dbraw/zinc/00/03/46/553000346.db2.gz DGYYINKJKWRQBG-LLVKDONJSA-N 0 0 500.187 3.777 50 0 KHAARN CCOc1cc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC ZINC000008399588 553001626 /nfs/dbraw/zinc/00/16/26/553001626.db2.gz NUFZTYSZLAXKIS-YBEGLDIGSA-N 0 0 510.353 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399754 553001996 /nfs/dbraw/zinc/00/19/96/553001996.db2.gz IPSSVPSIBGLVMC-FVECTHPASA-N 0 0 579.494 3.648 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399758 553001990 /nfs/dbraw/zinc/00/19/90/553001990.db2.gz IPSSVPSIBGLVMC-KDMTZKAISA-N 0 0 579.494 3.648 50 0 KHAARN O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C1(NS(=O)(=O)c2ccccc2)CCCCC1 ZINC000008399869 553002285 /nfs/dbraw/zinc/00/22/85/553002285.db2.gz FJTLKVALQROWAO-UHFFFAOYSA-N 0 0 505.000 3.713 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008399884 553002373 /nfs/dbraw/zinc/00/23/73/553002373.db2.gz ZSMYGUNCCSXOIS-FVECTHPASA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008399886 553002591 /nfs/dbraw/zinc/00/25/91/553002591.db2.gz ZSMYGUNCCSXOIS-KDMTZKAISA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008399890 553002602 /nfs/dbraw/zinc/00/26/02/553002602.db2.gz NYIWPUYLSSMYCX-KZIRBZLESA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008399893 553002578 /nfs/dbraw/zinc/00/25/78/553002578.db2.gz NYIWPUYLSSMYCX-SKTWIKFTSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008399898 553002612 /nfs/dbraw/zinc/00/26/12/553002612.db2.gz RVBOZFAVEAGAAL-FVECTHPASA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008399900 553002573 /nfs/dbraw/zinc/00/25/73/553002573.db2.gz RVBOZFAVEAGAAL-KDMTZKAISA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000008400186 553004065 /nfs/dbraw/zinc/00/40/65/553004065.db2.gz ZRHUZBDDCSJKCE-QTTRZTASSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000008400190 553004077 /nfs/dbraw/zinc/00/40/77/553004077.db2.gz ZRHUZBDDCSJKCE-QPJBPQEWSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008400194 553004020 /nfs/dbraw/zinc/00/40/20/553004020.db2.gz GQFYQLUFLQBIFV-QTTRZTASSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008400196 553004075 /nfs/dbraw/zinc/00/40/75/553004075.db2.gz GQFYQLUFLQBIFV-QPJBPQEWSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000008400202 553004069 /nfs/dbraw/zinc/00/40/69/553004069.db2.gz PILIPORTTPKCQO-OCEWKHMESA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000008400203 553004042 /nfs/dbraw/zinc/00/40/42/553004042.db2.gz PILIPORTTPKCQO-MKWGYRPRSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008400206 553004044 /nfs/dbraw/zinc/00/40/44/553004044.db2.gz QGQQNEJRUOPPLL-OCEWKHMESA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008400207 553004046 /nfs/dbraw/zinc/00/40/46/553004046.db2.gz QGQQNEJRUOPPLL-MKWGYRPRSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000008400208 553004052 /nfs/dbraw/zinc/00/40/52/553004052.db2.gz KDCOOHRZUSNOOX-XOYGFPHKSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccs1 ZINC000008400212 553004028 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553016995 /nfs/dbraw/zinc/01/69/95/553016995.db2.gz WTGRYZFHZMWJOO-MKWGYRPRSA-N 0 0 514.603 3.969 50 0 KHAARN CSc1nc(N)c(C(c2cn(-c3ccccc3)nc2-c2cccs2)c2c(N)nc(SC)[nH]c2=O)c(=O)[nH]1 ZINC000008426378 553018070 /nfs/dbraw/zinc/01/80/70/553018070.db2.gz DZWMFJYBFLIORN-UHFFFAOYSA-N 0 0 550.695 3.556 50 0 KHAARN COc1ccc(CCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000008426401 553018415 /nfs/dbraw/zinc/01/84/15/553018415.db2.gz DVBQYDKQHSOLPN-UHFFFAOYSA-N 0 0 528.627 3.584 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4cc(C)ccc4n3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000008426440 553018420 /nfs/dbraw/zinc/01/84/20/553018420.db2.gz NUXLLOLITFSSKL-SANMLTNESA-N 0 0 512.635 3.721 50 0 KHAARN CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](OC(C)=O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1 ZINC000008427562 553020120 /nfs/dbraw/zinc/02/01/20/553020120.db2.gz LXXJBYQKJRJLNP-FTVWMKFFSA-N 0 0 514.615 3.858 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000008430084 553020800 /nfs/dbraw/zinc/02/08/00/553020800.db2.gz BUFTVOUMQUPOCR-SFHVURJKSA-N 0 0 514.600 3.794 50 0 KHAARN O=C(NCCN1CCOCC1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000008430095 553020830 /nfs/dbraw/zinc/02/08/30/553020830.db2.gz YUEJRHULJRSEHG-UHFFFAOYSA-N 0 0 532.748 3.893 50 0 KHAARN CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCCOC)c4c3cccc4CC)NC2=S)cc1 ZINC000008430163 553021090 /nfs/dbraw/zinc/02/10/90/553021090.db2.gz WMNMHKZZGFLEKP-HAHDFKILSA-N 0 0 506.628 3.627 50 0 KHAARN CCC1(c2ccccc2)C(=O)N(C(=O)c2ccc(OC)cc2)C(=O)N(C(=O)c2ccc(OC)cc2)C1=O ZINC000008431004 553022141 /nfs/dbraw/zinc/02/21/41/553022141.db2.gz WRFBHMLDYOETSG-UHFFFAOYSA-N 0 0 500.507 3.823 50 0 KHAARN COc1cc(C=CC(=O)n2cnnc2SCC(=O)c2ccccc2)ccc1S(=O)(=O)N1CCCCC1 ZINC000008431026 553022217 /nfs/dbraw/zinc/02/22/17/553022217.db2.gz FROIQWJEBUDJRG-ACCUITESSA-N 0 0 526.640 3.790 50 0 KHAARN CCOC(=O)c1csc(NC(=O)CN2CCN(c3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)n1 ZINC000008431469 553023292 /nfs/dbraw/zinc/02/32/92/553023292.db2.gz LQGHRKWLTNRLGZ-UHFFFAOYSA-N 0 0 529.626 3.600 50 0 KHAARN O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000008431922 553024709 /nfs/dbraw/zinc/02/47/09/553024709.db2.gz PBCVFPLNIAEGRZ-UHFFFAOYSA-N 0 0 531.634 3.773 50 0 KHAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(I)cc(I)c1I ZINC000008432739 553026931 /nfs/dbraw/zinc/02/69/31/553026931.db2.gz SVIZERKEJVKUDA-UHFFFAOYSA-N 0 0 630.949 3.922 50 0 KHAARN O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCNC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000008432936 553027680 /nfs/dbraw/zinc/02/76/80/553027680.db2.gz YEKBEDCCNKNOFC-SVJWQLCWSA-N 0 0 610.808 3.802 50 0 KHAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCN(C(=O)CSc2nnc3sc4ccccc4n23)CC1 ZINC000008432998 553027663 /nfs/dbraw/zinc/02/76/63/553027663.db2.gz XHCGVJCKFVFGKL-UHFFFAOYSA-N 0 0 580.746 3.757 50 0 KHAARN CCOC(=O)c1cc(NC(=O)c2ccc(C(=O)OC)cc2)cc(NC(=O)c2ccc(C(=O)OC)cc2)c1 ZINC000008435188 553029762 /nfs/dbraw/zinc/02/97/62/553029762.db2.gz 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008437311 553031565 /nfs/dbraw/zinc/03/15/65/553031565.db2.gz RHJKBITXMMEOLZ-NKYAOSOXSA-N 0 0 554.624 3.981 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008437319 553031582 /nfs/dbraw/zinc/03/15/82/553031582.db2.gz CTVVORCIBYCTAK-CWJUKMOQSA-N 0 0 584.650 3.990 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008437324 553031599 /nfs/dbraw/zinc/03/15/99/553031599.db2.gz CTVVORCIBYCTAK-SFKHYTNKSA-N 0 0 584.650 3.990 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008437864 553032225 /nfs/dbraw/zinc/03/22/25/553032225.db2.gz TVDCQWPRXGPIFZ-HTCWZNLXSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008437865 553032207 /nfs/dbraw/zinc/03/22/07/553032207.db2.gz TVDCQWPRXGPIFZ-WWFXOLRUSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008437871 553032214 /nfs/dbraw/zinc/03/22/14/553032214.db2.gz HTROSEDEIVLMAZ-JYXZFHPPSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008437872 553032135 /nfs/dbraw/zinc/03/21/35/553032135.db2.gz HTROSEDEIVLMAZ-LMVGNEGFSA-N 0 0 540.597 3.673 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000008438054 553032789 /nfs/dbraw/zinc/03/27/89/553032789.db2.gz NJQLGONSMNQTMM-OFRYAGADSA-N 0 0 557.024 3.586 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000008438057 553032814 /nfs/dbraw/zinc/03/28/14/553032814.db2.gz NJQLGONSMNQTMM-OINADKTASA-N 0 0 557.024 3.586 50 0 KHAARN Cc1cc(I)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C ZINC000008438178 553033030 /nfs/dbraw/zinc/03/30/30/553033030.db2.gz SMWJNHRLPVVRMJ-CQSZACIVSA-N 0 0 535.411 3.950 50 0 KHAARN Cc1cc(I)ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C ZINC000008438180 553033315 /nfs/dbraw/zinc/03/33/15/553033315.db2.gz SMWJNHRLPVVRMJ-AWEZNQCLSA-N 0 0 535.411 3.950 50 0 KHAARN Cc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 ZINC000008438205 553033333 /nfs/dbraw/zinc/03/33/33/553033333.db2.gz WUFJRQAYNHHGCI-UHFFFAOYSA-N 0 0 578.724 3.937 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000008438284 553033482 /nfs/dbraw/zinc/03/34/82/553033482.db2.gz DUMDWXZPCOKGOK-BUDOKORBSA-N 0 0 580.831 3.762 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000008438286 553033568 /nfs/dbraw/zinc/03/35/68/553033568.db2.gz DUMDWXZPCOKGOK-OBXYEHHASA-N 0 0 580.831 3.762 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438320 553033810 /nfs/dbraw/zinc/03/38/10/553033810.db2.gz ULQMZQPMYZJURD-OCEWKHMESA-N 0 0 515.635 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438321 553033850 /nfs/dbraw/zinc/03/38/50/553033850.db2.gz ULQMZQPMYZJURD-MKWGYRPRSA-N 0 0 515.635 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438326 553033823 /nfs/dbraw/zinc/03/38/23/553033823.db2.gz RYLRNKIDVVTOMW-WVWKGNOCSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438327 553033832 /nfs/dbraw/zinc/03/38/32/553033832.db2.gz RYLRNKIDVVTOMW-IMEWXKHHSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438332 553033916 /nfs/dbraw/zinc/03/39/16/553033916.db2.gz OCRJLNHSESZFBE-XOYGFPHKSA-N 0 0 543.041 3.868 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438333 553033955 /nfs/dbraw/zinc/03/39/55/553033955.db2.gz OCRJLNHSESZFBE-YJADQXIJSA-N 0 0 543.041 3.868 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008438348 553033947 /nfs/dbraw/zinc/03/39/47/553033947.db2.gz ISCUGLAMRKJUCH-XOYGFPHKSA-N 0 0 543.041 3.955 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008438349 553033957 /nfs/dbraw/zinc/03/39/57/553033957.db2.gz ISCUGLAMRKJUCH-YJADQXIJSA-N 0 0 543.041 3.955 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000008438576 553034424 /nfs/dbraw/zinc/03/44/24/553034424.db2.gz SKHSORVHGNHLNL-JGTYQCAFSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000008438578 553034458 /nfs/dbraw/zinc/03/44/58/553034458.db2.gz SKHSORVHGNHLNL-LYRGBEMXSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1OC ZINC000008438580 553034449 /nfs/dbraw/zinc/03/44/49/553034449.db2.gz HGATVBOBFRRMAR-JGTYQCAFSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008438581 553034462 /nfs/dbraw/zinc/03/44/62/553034462.db2.gz HGATVBOBFRRMAR-LYRGBEMXSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1 ZINC000008438587 553034750 /nfs/dbraw/zinc/03/47/50/553034750.db2.gz LXDAVPATWCRQBG-RQLGBQGVSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1 ZINC000008438589 553034736 /nfs/dbraw/zinc/03/47/36/553034736.db2.gz LXDAVPATWCRQBG-FJWZAKCXSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438613 553034758 /nfs/dbraw/zinc/03/47/58/553034758.db2.gz YQHZLKNZCBODAO-QCHPHUCNSA-N 0 0 529.014 3.565 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438615 553034732 /nfs/dbraw/zinc/03/47/32/553034732.db2.gz YQHZLKNZCBODAO-VZIOXZNFSA-N 0 0 529.014 3.565 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438629 553034714 /nfs/dbraw/zinc/03/47/14/553034714.db2.gz RSVAVRYPELUSOI-LMTOTAIGSA-N 0 0 551.665 3.789 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438630 553034739 /nfs/dbraw/zinc/03/47/39/553034739.db2.gz RSVAVRYPELUSOI-FGSNJIQSSA-N 0 0 551.665 3.789 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438632 553034720 /nfs/dbraw/zinc/03/47/20/553034720.db2.gz KXQQMSUAEOXLQI-QCHPHUCNSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438634 553034752 /nfs/dbraw/zinc/03/47/52/553034752.db2.gz KXQQMSUAEOXLQI-VZIOXZNFSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438661 553034922 /nfs/dbraw/zinc/03/49/22/553034922.db2.gz OYUDGGIUZIFFNP-QCHPHUCNSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438663 553034924 /nfs/dbraw/zinc/03/49/24/553034924.db2.gz OYUDGGIUZIFFNP-VZIOXZNFSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438669 553034894 /nfs/dbraw/zinc/03/48/94/553034894.db2.gz BAFZSNRJOQBSKO-XOYGFPHKSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438671 553034903 /nfs/dbraw/zinc/03/49/03/553034903.db2.gz BAFZSNRJOQBSKO-YJADQXIJSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438678 553034957 /nfs/dbraw/zinc/03/49/57/553034957.db2.gz MTDAWIVGAOHLFQ-LMSRTUJASA-N 0 0 531.634 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438680 553034931 /nfs/dbraw/zinc/03/49/31/553034931.db2.gz MTDAWIVGAOHLFQ-RISWYLRJSA-N 0 0 531.634 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438701 553034909 /nfs/dbraw/zinc/03/49/09/553034909.db2.gz UJOIYBVJZVJRDT-VVOOWDFBSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438702 553034962 /nfs/dbraw/zinc/03/49/62/553034962.db2.gz UJOIYBVJZVJRDT-JUTHHCEFSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438731 553035271 /nfs/dbraw/zinc/03/52/71/553035271.db2.gz GTBIOFKBSZPREX-CBYYHRJHSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438733 553035326 /nfs/dbraw/zinc/03/53/26/553035326.db2.gz GTBIOFKBSZPREX-PNZYDNNZSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438735 553035332 /nfs/dbraw/zinc/03/53/32/553035332.db2.gz GBIUGGXOGORTQW-IGSWSUAKSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438736 553035300 /nfs/dbraw/zinc/03/53/00/553035300.db2.gz GBIUGGXOGORTQW-YMSBRDKKSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008438738 553035268 /nfs/dbraw/zinc/03/52/68/553035268.db2.gz RVJKRLYWRLIYFW-RWTNITNYSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008438740 553035319 /nfs/dbraw/zinc/03/53/19/553035319.db2.gz RVJKRLYWRLIYFW-MFUBYVTQSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000008439019 553035474 /nfs/dbraw/zinc/03/54/74/553035474.db2.gz HOBLHYGJUOLMIX-CVMWMZFYSA-N 0 0 512.587 3.650 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000008439021 553035443 /nfs/dbraw/zinc/03/54/43/553035443.db2.gz HOBLHYGJUOLMIX-QAHUDSGCSA-N 0 0 512.587 3.650 50 0 KHAARN CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccccc1F ZINC000008439030 553035462 /nfs/dbraw/zinc/03/54/62/553035462.db2.gz GWYLRTXQFBVHAI-HMAPJEAMSA-N 0 0 500.548 3.699 50 0 KHAARN CCOc1c(I)cc(I)cc1C=C1SC(=O)NC1=O ZINC000008439165 553035419 /nfs/dbraw/zinc/03/54/19/553035419.db2.gz SUPWHOZYAWLXDB-RUDMXATFSA-N 0 0 501.083 3.618 50 0 KHAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3(N[C@@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000008439651 553035988 /nfs/dbraw/zinc/03/59/88/553035988.db2.gz SHKVOZPHCCIAOL-TVZMLRABSA-N 0 0 573.447 3.736 50 0 KHAARN Cc1ccc(NC(=O)CN2c3ccccc3[C@]3(N[C@@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000008439653 553035963 /nfs/dbraw/zinc/03/59/63/553035963.db2.gz SHKVOZPHCCIAOL-UXEIAUOOSA-N 0 0 573.447 3.736 50 0 KHAARN CC1(C)OC[C@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2N2C(=O)[C@@H](Oc3ccccc3)[C@H]2/C=C/c2ccccc2)O1 ZINC000008439686 553036018 /nfs/dbraw/zinc/03/60/18/553036018.db2.gz SIJCESLFPDXFCO-UXONGYRLSA-N 0 0 507.583 3.755 50 0 KHAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2N2C(=O)[C@@H](Oc3ccccc3)[C@H]2/C=C/c2ccccc2)O1 ZINC000008439689 553035973 /nfs/dbraw/zinc/03/59/73/553035973.db2.gz SIJCESLFPDXFCO-OVRKIEMGSA-N 0 0 507.583 3.755 50 0 KHAARN CC1(C)OC[C@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2N2C(=O)[C@@H](Oc3ccccc3)[C@H]2/C=C/c2ccccc2)O1 ZINC000008439692 553035936 /nfs/dbraw/zinc/03/59/36/553035936.db2.gz SIJCESLFPDXFCO-NLTQWFFBSA-N 0 0 507.583 3.755 50 0 KHAARN CC1(C)OC[C@@H]([C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2N2C(=O)[C@@H](Oc3ccccc3)[C@H]2/C=C/c2ccccc2)O1 ZINC000008439694 553036006 /nfs/dbraw/zinc/03/60/06/553036006.db2.gz SIJCESLFPDXFCO-YDDIAJGTSA-N 0 0 507.583 3.755 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000008440248 553037016 /nfs/dbraw/zinc/03/70/16/553037016.db2.gz VDYVMNGYXMIRSP-LJQANCHMSA-N 0 0 550.848 3.912 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000008440254 553036993 /nfs/dbraw/zinc/03/69/93/553036993.db2.gz VDYVMNGYXMIRSP-IBGZPJMESA-N 0 0 550.848 3.912 50 0 KHAARN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008440408 553037728 /nfs/dbraw/zinc/03/77/28/553037728.db2.gz FEFMWZMNQUJADL-NRFANRHFSA-N 0 0 554.477 3.696 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000008441755 553042233 /nfs/dbraw/zinc/04/22/33/553042233.db2.gz SUKFWAXOMXHPFT-PGGUJSHWSA-N 0 0 504.999 3.842 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000008441757 553042210 /nfs/dbraw/zinc/04/22/10/553042210.db2.gz SUKFWAXOMXHPFT-CEMPLAKHSA-N 0 0 504.999 3.842 50 0 KHAARN Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1n[nH]cc1I ZINC000008441846 553042735 /nfs/dbraw/zinc/04/27/35/553042735.db2.gz WLLUECNDZPSRLA-UHFFFAOYSA-N 0 0 511.192 3.824 50 0 KHAARN CC(=O)Oc1c(I)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1I ZINC000008442166 553043188 /nfs/dbraw/zinc/04/31/88/553043188.db2.gz XBALERTTZOHLNJ-NVNXTCNLSA-N 0 0 588.164 3.591 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000008443024 553045115 /nfs/dbraw/zinc/04/51/15/553045115.db2.gz BYVNGJMHRPJMCV-FJWZAKCXSA-N 0 0 504.637 3.662 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000008443025 553045085 /nfs/dbraw/zinc/04/50/85/553045085.db2.gz BYVNGJMHRPJMCV-RQLGBQGVSA-N 0 0 504.637 3.662 50 0 KHAARN Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000008443055 553045383 /nfs/dbraw/zinc/04/53/83/553045383.db2.gz XOBYKGJIHAHLGF-UHFFFAOYSA-N 0 0 554.756 3.957 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008443171 553045638 /nfs/dbraw/zinc/04/56/38/553045638.db2.gz CZSNQABIKHYZBT-YOKWNPFVSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008443172 553045622 /nfs/dbraw/zinc/04/56/22/553045622.db2.gz CZSNQABIKHYZBT-NWKGEQBZSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008443346 553046056 /nfs/dbraw/zinc/04/60/56/553046056.db2.gz HJXWHISNAPMYHZ-IDQDRXHYSA-N 0 0 732.334 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008443347 553046299 /nfs/dbraw/zinc/04/62/99/553046299.db2.gz HJXWHISNAPMYHZ-KEBMYNNESA-N 0 0 732.334 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000008443357 553046332 /nfs/dbraw/zinc/04/63/32/553046332.db2.gz TUFKKRVWKDFJCK-UBXANZILSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1 ZINC000008443358 553046340 /nfs/dbraw/zinc/04/63/40/553046340.db2.gz TUFKKRVWKDFJCK-YMFQVDJJSA-N 0 0 513.413 3.569 50 0 KHAARN CCOc1cc(C(=O)NC(=S)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc(OCC)c1OCC ZINC000008443417 553046385 /nfs/dbraw/zinc/04/63/85/553046385.db2.gz WETBOZKEYMDCIX-UHFFFAOYSA-N 0 0 504.561 3.583 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cc(OCC)c(OC)cc4Br)c(=O)n32)ccc1O ZINC000008443526 553046827 /nfs/dbraw/zinc/04/68/27/553046827.db2.gz RLBMQMCUXWIMLT-DKOMQPSQSA-N 0 0 603.491 3.682 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cc(OCC)c(OC)cc4Br)c(=O)n32)ccc1O ZINC000008443531 553046822 /nfs/dbraw/zinc/04/68/22/553046822.db2.gz RLBMQMCUXWIMLT-IZBTWGKQSA-N 0 0 603.491 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000008443608 553047274 /nfs/dbraw/zinc/04/72/74/553047274.db2.gz YUXSOOZNCQNJEV-QTQKINJDSA-N 0 0 528.586 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000008443613 553047329 /nfs/dbraw/zinc/04/73/29/553047329.db2.gz YUXSOOZNCQNJEV-ZKZBLMLZSA-N 0 0 528.586 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000008443620 553047211 /nfs/dbraw/zinc/04/72/11/553047211.db2.gz ZBYSUTJQHBROFX-DIXABZHVSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000008443621 553047337 /nfs/dbraw/zinc/04/73/37/553047337.db2.gz ZBYSUTJQHBROFX-WNRWPCNTSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000008444704 553051188 /nfs/dbraw/zinc/05/11/88/553051188.db2.gz YRVWXGATMGSNGP-ZMUHTPIZSA-N 0 0 655.308 3.880 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000008444707 553051262 /nfs/dbraw/zinc/05/12/62/553051262.db2.gz YRVWXGATMGSNGP-OLROSQPISA-N 0 0 655.308 3.880 50 0 KHAARN O=C(CCCCCCC(=O)OCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000008444875 553052174 /nfs/dbraw/zinc/05/21/74/553052174.db2.gz VDNSTFCZMGJYMX-UHFFFAOYSA-N 0 0 526.538 3.722 50 0 KHAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)Nc1ccccc1 ZINC000008445156 553053423 /nfs/dbraw/zinc/05/34/23/553053423.db2.gz BQGIGEMILMLETR-UHFFFAOYSA-N 0 0 564.697 3.629 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)cc1 ZINC000008445158 553053419 /nfs/dbraw/zinc/05/34/19/553053419.db2.gz PUSGBPYCGNRMHL-UHFFFAOYSA-N 0 0 578.724 3.937 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000008445252 553053667 /nfs/dbraw/zinc/05/36/67/553053667.db2.gz PNKBTZXVWBDLDA-QCHPHUCNSA-N 0 0 634.492 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000008445254 553053653 /nfs/dbraw/zinc/05/36/53/553053653.db2.gz PNKBTZXVWBDLDA-VZIOXZNFSA-N 0 0 634.492 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000008445261 553053658 /nfs/dbraw/zinc/05/36/58/553053658.db2.gz CCJICSXLKZQEKY-JAYSWQADSA-N 0 0 552.649 3.611 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000008445262 553053645 /nfs/dbraw/zinc/05/36/45/553053645.db2.gz CCJICSXLKZQEKY-KEQCBNTKSA-N 0 0 552.649 3.611 50 0 KHAARN Cc1nnc(/N=c2\sc(C)nn2C(c2ccccc2)n2nc(C)s/c2=N\c2nnc(C)s2)s1 ZINC000008448142 553055611 /nfs/dbraw/zinc/05/56/11/553055611.db2.gz OQBYHEWGSAESBR-AUYXYSRISA-N 0 0 514.691 3.699 50 0 KHAARN COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000008448516 553055986 /nfs/dbraw/zinc/05/59/86/553055986.db2.gz LBMMBLHHCXPUHB-DYEBDLIZSA-N 0 0 523.639 3.754 50 0 KHAARN COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1 ZINC000008448517 553056007 /nfs/dbraw/zinc/05/60/07/553056007.db2.gz LBMMBLHHCXPUHB-CSMMYAOASA-N 0 0 523.639 3.754 50 0 KHAARN COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@H]1c1cccc(OC)c1 ZINC000008448519 553056014 /nfs/dbraw/zinc/05/60/14/553056014.db2.gz XJFCTNQHTVBXTC-GBQPJDALSA-N 0 0 583.691 3.771 50 0 KHAARN COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1cccc(OC)c1 ZINC000008448520 553055947 /nfs/dbraw/zinc/05/59/47/553055947.db2.gz XJFCTNQHTVBXTC-HKPSVDRMSA-N 0 0 583.691 3.771 50 0 KHAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000008448562 553056266 /nfs/dbraw/zinc/05/62/66/553056266.db2.gz ZFXZKIZPNWHVCC-NIXSXDNJSA-N 0 0 652.766 3.532 50 0 KHAARN CCOC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000008448564 553056271 /nfs/dbraw/zinc/05/62/71/553056271.db2.gz ZFXZKIZPNWHVCC-HNVNJYSWSA-N 0 0 652.766 3.532 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000008448710 553056508 /nfs/dbraw/zinc/05/65/08/553056508.db2.gz NHCWQCRPPVUVER-JYBZDAIYSA-N 0 0 612.754 3.677 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000008448711 553056549 /nfs/dbraw/zinc/05/65/49/553056549.db2.gz NHCWQCRPPVUVER-WOEAYIBMSA-N 0 0 612.754 3.677 50 0 KHAARN COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)c2)cc(OC)c1OC ZINC000008448849 553056796 /nfs/dbraw/zinc/05/67/96/553056796.db2.gz QXDOJVPCXYSKSD-QHCPKHFHSA-N 0 0 509.584 3.835 50 0 KHAARN COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)c2)cc(OC)c1OC ZINC000008448851 553056734 /nfs/dbraw/zinc/05/67/34/553056734.db2.gz QXDOJVPCXYSKSD-HSZRJFAPSA-N 0 0 509.584 3.835 50 0 KHAARN O=C(Nc1cccc(OC(=O)c2ccc(Br)o2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008449406 553056958 /nfs/dbraw/zinc/05/69/58/553056958.db2.gz VUDHDELMHGSVDF-UHFFFAOYSA-N 0 0 535.372 3.535 50 0 KHAARN Cc1ccc(C(=O)COC(=O)[C@@H](CCCCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449902 553057788 /nfs/dbraw/zinc/05/77/88/553057788.db2.gz SIGCCNLIDDQUSM-XRBVWHPOSA-N 0 0 588.701 3.630 50 0 KHAARN Cc1ccc(C(=O)COC(=O)[C@H](CCCCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449903 553057810 /nfs/dbraw/zinc/05/78/10/553057810.db2.gz SIGCCNLIDDQUSM-MFJRFUGFSA-N 0 0 588.701 3.630 50 0 KHAARN Cc1ccc(C(=O)COC(=O)[C@@H](CCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449904 553057796 /nfs/dbraw/zinc/05/77/96/553057796.db2.gz SIGCCNLIDDQUSM-AICFDCERSA-N 0 0 588.701 3.630 50 0 KHAARN Cc1ccc(C(=O)COC(=O)[C@H](CCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C ZINC000008449905 553057824 /nfs/dbraw/zinc/05/78/24/553057824.db2.gz SIGCCNLIDDQUSM-WNBHSMEXSA-N 0 0 588.701 3.630 50 0 KHAARN CC1CCN(S(=O)(=O)c2cccc(C(=O)c3cccc(S(=O)(=O)N4CCC(C)CC4)c3)c2)CC1 ZINC000008450167 553057903 /nfs/dbraw/zinc/05/79/03/553057903.db2.gz QRCNDHVKRBYGSE-UHFFFAOYSA-N 0 0 504.674 3.759 50 0 KHAARN Cc1nn(C)c(C)c1CN(C(=S)Nc1ccc(N(C)C)cc1)[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O ZINC000008450796 553059056 /nfs/dbraw/zinc/05/90/56/553059056.db2.gz AGNCTQYSKRYEFE-XMMPIXPASA-N 0 0 504.660 3.942 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008451522 553061567 /nfs/dbraw/zinc/06/15/67/553061567.db2.gz XCDMOFBFQNTJSR-LMTOTAIGSA-N 0 0 511.603 3.729 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008451526 553061545 /nfs/dbraw/zinc/06/15/45/553061545.db2.gz XCDMOFBFQNTJSR-FGSNJIQSSA-N 0 0 511.603 3.729 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000008451529 553061499 /nfs/dbraw/zinc/06/14/99/553061499.db2.gz UVIFFDICVLPHPJ-ABBNRAPFSA-N 0 0 571.655 3.995 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000008451530 553061477 /nfs/dbraw/zinc/06/14/77/553061477.db2.gz UVIFFDICVLPHPJ-CSJROMOCSA-N 0 0 571.655 3.995 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000008451538 553061504 /nfs/dbraw/zinc/06/15/04/553061504.db2.gz KNTVTFKUVWXTAH-XLHJEKARSA-N 0 0 628.703 3.895 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000008451540 553061495 /nfs/dbraw/zinc/06/14/95/553061495.db2.gz KNTVTFKUVWXTAH-BMZLMQSUSA-N 0 0 628.703 3.895 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000008451658 553061966 /nfs/dbraw/zinc/06/19/66/553061966.db2.gz RRWICSAOEFNTFJ-PDRCNJOPSA-N 0 0 585.682 3.764 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000008451660 553061988 /nfs/dbraw/zinc/06/19/88/553061988.db2.gz RRWICSAOEFNTFJ-NZIPGPCDSA-N 0 0 585.682 3.764 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008451777 553062054 /nfs/dbraw/zinc/06/20/54/553062054.db2.gz ORICOPRAVTZIOG-HTCWZNLXSA-N 0 0 664.534 3.856 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008451778 553062028 /nfs/dbraw/zinc/06/20/28/553062028.db2.gz ORICOPRAVTZIOG-WWFXOLRUSA-N 0 0 664.534 3.856 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(OC)cc(OC)cc4OC)c(=O)n32)c1 ZINC000008451815 553062242 /nfs/dbraw/zinc/06/22/42/553062242.db2.gz CCCFFWCVFPKPKO-RGFRMHDHSA-N 0 0 571.655 3.908 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(OC)cc(OC)cc4OC)c(=O)n32)c1 ZINC000008451817 553062227 /nfs/dbraw/zinc/06/22/27/553062227.db2.gz CCCFFWCVFPKPKO-XQNWCSQWSA-N 0 0 571.655 3.908 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1OC ZINC000008451818 553062238 /nfs/dbraw/zinc/06/22/38/553062238.db2.gz XPMGPRPGRNURSR-QFVBLGFASA-N 0 0 547.658 3.961 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1OC ZINC000008451819 553062253 /nfs/dbraw/zinc/06/22/53/553062253.db2.gz XPMGPRPGRNURSR-JDCXBEBJSA-N 0 0 547.658 3.961 50 0 KHAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)c1 ZINC000008451826 553062235 /nfs/dbraw/zinc/06/22/35/553062235.db2.gz NNJKCTJKXINAAP-OEAKJJBVSA-N 0 0 502.502 3.683 50 0 KHAARN CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC ZINC000008451830 553062250 /nfs/dbraw/zinc/06/22/50/553062250.db2.gz SSPBDPDQWDPKDD-LICLKQGHSA-N 0 0 535.338 3.538 50 0 KHAARN Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1Br ZINC000008451980 553062627 /nfs/dbraw/zinc/06/26/27/553062627.db2.gz ILZSASLJLHSLCO-UHFFFAOYSA-N 0 0 542.261 3.577 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000008452213 553063113 /nfs/dbraw/zinc/06/31/13/553063113.db2.gz RNFSNHPNIGPEFW-AQIZGWBQSA-N 0 0 506.624 3.903 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)cc3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000008452214 553063117 /nfs/dbraw/zinc/06/31/17/553063117.db2.gz RNFSNHPNIGPEFW-ZDGAQAAHSA-N 0 0 506.624 3.903 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000008452218 553063152 /nfs/dbraw/zinc/06/31/52/553063152.db2.gz FYKZBYNLLINCRG-LYRGBEMXSA-N 0 0 617.518 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000008452219 553063142 /nfs/dbraw/zinc/06/31/42/553063142.db2.gz FYKZBYNLLINCRG-JGTYQCAFSA-N 0 0 617.518 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000008452253 553063361 /nfs/dbraw/zinc/06/33/61/553063361.db2.gz XVXMBYUEBCKNPG-YOKWNPFVSA-N 0 0 557.466 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000008452254 553063335 /nfs/dbraw/zinc/06/33/35/553063335.db2.gz XVXMBYUEBCKNPG-NWKGEQBZSA-N 0 0 557.466 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000008452273 553063319 /nfs/dbraw/zinc/06/33/19/553063319.db2.gz OYTQPLBIKILYHN-SEXPAEGTSA-N 0 0 543.041 3.786 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Cl)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000008452274 553063367 /nfs/dbraw/zinc/06/33/67/553063367.db2.gz OYTQPLBIKILYHN-XOBACGFXSA-N 0 0 543.041 3.786 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000008452405 553063743 /nfs/dbraw/zinc/06/37/43/553063743.db2.gz YDSWSBIBVKRXNF-WLGHQHAYSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000008452406 553063760 /nfs/dbraw/zinc/06/37/60/553063760.db2.gz YDSWSBIBVKRXNF-NLZIUFDSSA-N 0 0 522.623 3.523 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OCC)c3)c(=O)n21 ZINC000008452450 553063788 /nfs/dbraw/zinc/06/37/88/553063788.db2.gz WXUMATBWDJWUBY-XOYGFPHKSA-N 0 0 573.067 3.963 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OCC)c3)c(=O)n21 ZINC000008452451 553063763 /nfs/dbraw/zinc/06/37/63/553063763.db2.gz WXUMATBWDJWUBY-YJADQXIJSA-N 0 0 573.067 3.963 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000008452452 553063726 /nfs/dbraw/zinc/06/37/26/553063726.db2.gz SMVLILKCXNRRME-XOYGFPHKSA-N 0 0 634.492 3.906 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000008452453 553063738 /nfs/dbraw/zinc/06/37/38/553063738.db2.gz SMVLILKCXNRRME-YJADQXIJSA-N 0 0 634.492 3.906 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n21 ZINC000008452467 553063772 /nfs/dbraw/zinc/06/37/72/553063772.db2.gz HGNWDHGIMRCNPW-OWXSRONMSA-N 0 0 522.623 3.691 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n21 ZINC000008452468 553064114 /nfs/dbraw/zinc/06/41/14/553064114.db2.gz HGNWDHGIMRCNPW-ZMIGGIFCSA-N 0 0 522.623 3.691 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n21 ZINC000008452475 553064086 /nfs/dbraw/zinc/06/40/86/553064086.db2.gz VWQLLUDYSWLLCK-WVWKGNOCSA-N 0 0 573.465 3.674 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cc(Br)ccc3O)c(=O)n21 ZINC000008452476 553064064 /nfs/dbraw/zinc/06/40/64/553064064.db2.gz VWQLLUDYSWLLCK-IMEWXKHHSA-N 0 0 573.465 3.674 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n21 ZINC000008452493 553064105 /nfs/dbraw/zinc/06/41/05/553064105.db2.gz MQNZMTISKMRFHX-OWXSRONMSA-N 0 0 506.624 3.904 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n21 ZINC000008452494 553064080 /nfs/dbraw/zinc/06/40/80/553064080.db2.gz MQNZMTISKMRFHX-ZMIGGIFCSA-N 0 0 506.624 3.904 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n21 ZINC000008452510 553064059 /nfs/dbraw/zinc/06/40/59/553064059.db2.gz UJEQFEJDBPXJDP-GOOXQAOHSA-N 0 0 522.623 3.604 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n21 ZINC000008452511 553064235 /nfs/dbraw/zinc/06/42/35/553064235.db2.gz UJEQFEJDBPXJDP-KZVLXBEFSA-N 0 0 522.623 3.604 50 0 KHAARN O=S(=O)(NCCCCCCNS(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000008453324 553065816 /nfs/dbraw/zinc/06/58/16/553065816.db2.gz ZNDBGGVCEVANIT-UHFFFAOYSA-N 0 0 648.326 3.713 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000008453625 553066536 /nfs/dbraw/zinc/06/65/36/553066536.db2.gz VFVLHWZIYKWRLS-ASJPZSSXSA-N 0 0 574.728 3.825 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000008453626 553066551 /nfs/dbraw/zinc/06/65/51/553066551.db2.gz VFVLHWZIYKWRLS-XPKLGVGYSA-N 0 0 574.728 3.825 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC(=O)N4CCCC[C@@H]4C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000008453627 553066541 /nfs/dbraw/zinc/06/65/41/553066541.db2.gz VFVLHWZIYKWRLS-YCMVLJCUSA-N 0 0 574.728 3.825 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCN(CCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008453762 553066920 /nfs/dbraw/zinc/06/69/20/553066920.db2.gz QIWSTPSOLZVXIB-UHFFFAOYSA-N 0 0 762.998 3.559 50 0 KHAARN COC(=O)COc1cc2c(cc1OCC(=O)OC)C1(CC2(C)C)CC(C)(C)c2cc(OCC(=O)OC)c(OCC(=O)OC)cc21 ZINC000008453830 553067164 /nfs/dbraw/zinc/06/71/64/553067164.db2.gz SPXMDUVAGSUAHR-UHFFFAOYSA-N 0 0 628.671 3.543 50 0 KHAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008454218 553068107 /nfs/dbraw/zinc/06/81/07/553068107.db2.gz JTICGKFHMXUUSZ-YTTGMZPUSA-N 0 0 644.819 3.684 50 0 KHAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008454219 553068099 /nfs/dbraw/zinc/06/80/99/553068099.db2.gz JTICGKFHMXUUSZ-JGCGQSQUSA-N 0 0 644.819 3.684 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(Cl)ccc2OC)cc1OC ZINC000008454220 553068090 /nfs/dbraw/zinc/06/80/90/553068090.db2.gz ICCIZLSWLKKSLD-UHFFFAOYSA-N 0 0 552.074 3.865 50 0 KHAARN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CCN1C(=O)[C@]1(C)CC1(Br)Br ZINC000008454322 553068085 /nfs/dbraw/zinc/06/80/85/553068085.db2.gz ALRWZORIBKEKMU-ICCXJUOJSA-N 0 0 579.953 3.838 50 0 KHAARN C[C@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CCN1C(=O)[C@]1(C)CC1(Br)Br ZINC000008454323 553068044 /nfs/dbraw/zinc/06/80/44/553068044.db2.gz ALRWZORIBKEKMU-XDTLVQLUSA-N 0 0 579.953 3.838 50 0 KHAARN C[C@@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CCN1C(=O)[C@@]1(C)CC1(Br)Br ZINC000008454324 553068348 /nfs/dbraw/zinc/06/83/48/553068348.db2.gz ALRWZORIBKEKMU-JIMOISOXSA-N 0 0 579.953 3.838 50 0 KHAARN C[C@H]1CN(C(=O)[C@]2(C)CC2(Br)Br)CCN1C(=O)[C@@]1(C)CC1(Br)Br ZINC000008454325 553068346 /nfs/dbraw/zinc/06/83/46/553068346.db2.gz ALRWZORIBKEKMU-TVYUQYBPSA-N 0 0 579.953 3.838 50 0 KHAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cc1 ZINC000008454530 553069210 /nfs/dbraw/zinc/06/92/10/553069210.db2.gz IDHZDMPJDRPXFF-UHFFFAOYSA-N 0 0 527.553 3.916 50 0 KHAARN COC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n12 ZINC000008455076 553070840 /nfs/dbraw/zinc/07/08/40/553070840.db2.gz JWEQRJSCTFBRSI-YSTDUDOQSA-N 0 0 556.640 3.755 50 0 KHAARN COC(=O)[C@H]1[C@@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n12 ZINC000008455077 553070827 /nfs/dbraw/zinc/07/08/27/553070827.db2.gz JWEQRJSCTFBRSI-BYGIITMSSA-N 0 0 556.640 3.755 50 0 KHAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n12 ZINC000008455090 553071167 /nfs/dbraw/zinc/07/11/67/553071167.db2.gz UVSQUCUAKAUHNI-FADNWJBFSA-N 0 0 578.593 3.725 50 0 KHAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n12 ZINC000008455091 553071151 /nfs/dbraw/zinc/07/11/51/553071151.db2.gz UVSQUCUAKAUHNI-OOUWYUOGSA-N 0 0 578.593 3.725 50 0 KHAARN Cc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cnn1C ZINC000008455136 553071348 /nfs/dbraw/zinc/07/13/48/553071348.db2.gz ZZGLTCOYAKOCOL-LYRGBEMXSA-N 0 0 518.042 3.878 50 0 KHAARN Cc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cnn1C ZINC000008455137 553071292 /nfs/dbraw/zinc/07/12/92/553071292.db2.gz ZZGLTCOYAKOCOL-JGTYQCAFSA-N 0 0 518.042 3.878 50 0 KHAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n12 ZINC000008455232 553071740 /nfs/dbraw/zinc/07/17/40/553071740.db2.gz IIKIHSZGLBORHX-MPCABKEDSA-N 0 0 506.967 3.772 50 0 KHAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n12 ZINC000008455233 553071743 /nfs/dbraw/zinc/07/17/43/553071743.db2.gz IIKIHSZGLBORHX-BKNYOABWSA-N 0 0 506.967 3.772 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008455236 553071810 /nfs/dbraw/zinc/07/18/10/553071810.db2.gz IBPLJAHIHZQWFU-JGTYQCAFSA-N 0 0 522.529 3.858 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008455237 553071726 /nfs/dbraw/zinc/07/17/26/553071726.db2.gz IBPLJAHIHZQWFU-LYRGBEMXSA-N 0 0 522.529 3.858 50 0 KHAARN COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n12 ZINC000008455288 553072003 /nfs/dbraw/zinc/07/20/03/553072003.db2.gz XGFRRPFMXUUNQU-MPCABKEDSA-N 0 0 551.418 3.882 50 0 KHAARN COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n12 ZINC000008455289 553071981 /nfs/dbraw/zinc/07/19/81/553071981.db2.gz XGFRRPFMXUUNQU-BKNYOABWSA-N 0 0 551.418 3.882 50 0 KHAARN Cc1nn(C)c(C(=O)Nc2ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1Br ZINC000008456249 553074485 /nfs/dbraw/zinc/07/44/85/553074485.db2.gz SVHQROLGRUFHQQ-UHFFFAOYSA-N 0 0 507.454 3.990 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccccc2N(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000008456471 553074703 /nfs/dbraw/zinc/07/47/03/553074703.db2.gz ZVXZEIGZRUUMDJ-UHFFFAOYSA-N 0 0 736.802 3.900 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OS(=O)(=O)c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008492343 553075868 /nfs/dbraw/zinc/07/58/68/553075868.db2.gz CJVFUBDWGXPUHQ-FHMSYZJOSA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OS(=O)(=O)c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008492351 553075892 /nfs/dbraw/zinc/07/58/92/553075892.db2.gz CJVFUBDWGXPUHQ-OXWVMCNISA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008492424 553075880 /nfs/dbraw/zinc/07/58/80/553075880.db2.gz IUIKYRQBZMGGGO-USDTVRPUSA-N 0 0 634.732 3.892 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008492429 553075861 /nfs/dbraw/zinc/07/58/61/553075861.db2.gz IUIKYRQBZMGGGO-PKYOQBLNSA-N 0 0 634.732 3.892 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000008496447 553077324 /nfs/dbraw/zinc/07/73/24/553077324.db2.gz UTARTCIZXYBSOB-ZYSRDMNZSA-N 0 0 616.692 3.979 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000008496454 553077304 /nfs/dbraw/zinc/07/73/04/553077304.db2.gz UTARTCIZXYBSOB-QPWQWLJXSA-N 0 0 616.692 3.979 50 0 KHAARN CCOC(=O)c1cccc(F)c1/C=c1\sc2n(c1=O)C(N)=C(C(=O)OCC)[C@@H](c1c(F)cccc1Cl)C=2Cl ZINC000008497801 553077553 /nfs/dbraw/zinc/07/75/53/553077553.db2.gz VTMQJOXBYFEVBE-DPWKNNTCSA-N 0 0 581.424 3.682 50 0 KHAARN CCOC(=O)c1cccc(F)c1/C=c1\sc2n(c1=O)C(N)=C(C(=O)OCC)[C@H](c1c(F)cccc1Cl)C=2Cl ZINC000008497807 553077571 /nfs/dbraw/zinc/07/75/71/553077571.db2.gz VTMQJOXBYFEVBE-XGHXRCDJSA-N 0 0 581.424 3.682 50 0 KHAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1)CN(C(C)C)CC2 ZINC000008583084 553078598 /nfs/dbraw/zinc/07/85/98/553078598.db2.gz JIGOEYFGJJKRQP-QGZVFWFLSA-N 0 0 519.689 3.974 50 0 KHAARN CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc32)cc1OCC ZINC000008583425 553079582 /nfs/dbraw/zinc/07/95/82/553079582.db2.gz TXSVSPJNESANKU-IBGZPJMESA-N 0 0 541.670 3.861 50 0 KHAARN CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)cc1OCC ZINC000008583426 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CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21 ZINC000008594959 553088274 /nfs/dbraw/zinc/08/82/74/553088274.db2.gz AEKUIMSEOPFUFJ-QFIPXVFZSA-N 0 0 585.642 3.851 50 0 KHAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)Nc1ccccc1F ZINC000008595001 553088585 /nfs/dbraw/zinc/08/85/85/553088585.db2.gz JDJHTTGALJFDQB-OAQYLSRUSA-N 0 0 559.579 3.591 50 0 KHAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)Nc1ccccc1F ZINC000008595005 553088550 /nfs/dbraw/zinc/08/85/50/553088550.db2.gz JDJHTTGALJFDQB-NRFANRHFSA-N 0 0 559.579 3.591 50 0 KHAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2Cl)N3)cc1 ZINC000008595122 553088539 /nfs/dbraw/zinc/08/85/39/553088539.db2.gz PBSZBXVQOAXUBD-QHCPKHFHSA-N 0 0 514.003 3.626 50 0 KHAARN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2Cl)N3)cc1 ZINC000008595126 553088588 /nfs/dbraw/zinc/08/85/88/553088588.db2.gz PBSZBXVQOAXUBD-HSZRJFAPSA-N 0 0 514.003 3.626 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595485 553088952 /nfs/dbraw/zinc/08/89/52/553088952.db2.gz DQLXEKODEBPJAU-UHFFFAOYSA-N 0 0 523.593 3.857 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000008595493 553088972 /nfs/dbraw/zinc/08/89/72/553088972.db2.gz HBKKNSJZUXTEPG-UHFFFAOYSA-N 0 0 503.024 3.797 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 ZINC000008595498 553088988 /nfs/dbraw/zinc/08/89/88/553088988.db2.gz OLZRNHUHWBJJKI-UHFFFAOYSA-N 0 0 503.024 3.797 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000008595521 553088964 /nfs/dbraw/zinc/08/89/64/553088964.db2.gz POOSBUGDUIZEJV-UHFFFAOYSA-N 0 0 511.557 3.988 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000008595887 553089479 /nfs/dbraw/zinc/08/94/79/553089479.db2.gz UKZUVBOBQKBNPL-UHFFFAOYSA-N 0 0 592.608 3.849 50 0 aggregator KHAARN 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CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCc3ccc(C)cc3)ccc21 ZINC000008595993 553089515 /nfs/dbraw/zinc/08/95/15/553089515.db2.gz UDCXNBVRWMJDCB-RUZDIDTESA-N 0 0 505.640 3.500 50 0 KHAARN COc1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCCC4)ccc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000008596178 553089726 /nfs/dbraw/zinc/08/97/26/553089726.db2.gz QLZCRYPMZIRGPM-UHFFFAOYSA-N 0 0 584.629 3.650 50 0 KHAARN Cc1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCCC3)ccc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000008596187 553089771 /nfs/dbraw/zinc/08/97/71/553089771.db2.gz LYBXVHKUQJDTJZ-UHFFFAOYSA-N 0 0 568.630 3.950 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCCC4)ccc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000008596203 553089757 /nfs/dbraw/zinc/08/97/57/553089757.db2.gz ZZZFZQLEVTYMAO-UHFFFAOYSA-N 0 0 568.630 3.950 50 0 KHAARN Cc1ccc(C)c(NC(=O)Cn2c3cc(C(=O)NC4CCCC4)ccc3c(=O)n(Cc3ccco3)c2=O)c1 ZINC000008596247 553090004 /nfs/dbraw/zinc/09/00/04/553090004.db2.gz XCRBPLZWLRLQGT-UHFFFAOYSA-N 0 0 514.582 3.732 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCC4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000008596250 553090023 /nfs/dbraw/zinc/09/00/23/553090023.db2.gz JFXXYLXDBGINIA-UHFFFAOYSA-N 0 0 530.581 3.514 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NC3CCCC3)cc21 ZINC000008596255 553089979 /nfs/dbraw/zinc/08/99/79/553089979.db2.gz YDAZHESAGXYWOL-UHFFFAOYSA-N 0 0 550.999 3.778 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NC4CCCC4)ccc3c(=O)n(Cc3ccco3)c2=O)c(C)c1 ZINC000008596263 553090017 /nfs/dbraw/zinc/09/00/17/553090017.db2.gz WWOFASHEXINCFM-UHFFFAOYSA-N 0 0 514.582 3.732 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000008596289 553089974 /nfs/dbraw/zinc/08/99/74/553089974.db2.gz MLUKBEQUJQRLMF-UHFFFAOYSA-N 0 0 522.989 3.955 50 0 KHAARN CCOc1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000008596295 553089941 /nfs/dbraw/zinc/08/99/41/553089941.db2.gz IADPIHKYDGDIII-UHFFFAOYSA-N 0 0 530.581 3.514 50 0 KHAARN Cc1cccc(C)c1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000008596299 553089999 /nfs/dbraw/zinc/08/99/99/553089999.db2.gz MKENBCZECVUOMO-UHFFFAOYSA-N 0 0 514.582 3.732 50 0 KHAARN O=C(Nc1ccccc1Br)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000008596307 553089956 /nfs/dbraw/zinc/08/99/56/553089956.db2.gz JAPWNRKPPMHBED-SFHVURJKSA-N 0 0 517.430 3.982 50 0 aggregator KHAARN O=C(Nc1ccccc1Br)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000008596309 553090025 /nfs/dbraw/zinc/09/00/25/553090025.db2.gz JAPWNRKPPMHBED-GOSISDBHSA-N 0 0 517.430 3.982 50 0 aggregator KHAARN COc1cc(OC)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000008596345 553090382 /nfs/dbraw/zinc/09/03/82/553090382.db2.gz DEMNCGPSUMYTCY-GOSISDBHSA-N 0 0 533.031 3.890 50 0 KHAARN COc1cc(OC)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000008596347 553090398 /nfs/dbraw/zinc/09/03/98/553090398.db2.gz DEMNCGPSUMYTCY-SFHVURJKSA-N 0 0 533.031 3.890 50 0 KHAARN COc1cccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccc(C)cc3)c2=O)c1 ZINC000008596501 553090590 /nfs/dbraw/zinc/09/05/90/553090590.db2.gz WLPLDZQUDRKGOY-UHFFFAOYSA-N 0 0 538.560 3.631 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCCC4)cc3c2=O)CC1 ZINC000008596566 553090604 /nfs/dbraw/zinc/09/06/04/553090604.db2.gz JCKDZDMFZANSBG-UHFFFAOYSA-N 0 0 543.089 3.637 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(C)cc1 ZINC000008596571 553090580 /nfs/dbraw/zinc/09/05/80/553090580.db2.gz FLHZBDVUZZWCKY-UHFFFAOYSA-N 0 0 516.067 3.543 50 0 KHAARN CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000008596596 553090582 /nfs/dbraw/zinc/09/05/82/553090582.db2.gz JSOHEMDAPSLEDO-UHFFFAOYSA-N 0 0 541.670 3.576 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)c1ccc(C)cc1 ZINC000008596599 553090960 /nfs/dbraw/zinc/09/09/60/553090960.db2.gz KIWZUFZJUXUDNN-UHFFFAOYSA-N 0 0 509.676 3.506 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2cc(C)ccc2C)CC1)c1ccc(C)cc1 ZINC000008596604 553090954 /nfs/dbraw/zinc/09/09/54/553090954.db2.gz YHDZJDFRDZZPPF-UHFFFAOYSA-N 0 0 509.676 3.506 50 0 KHAARN CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596650 553090938 /nfs/dbraw/zinc/09/09/38/553090938.db2.gz LHTRFABYDJWDOB-UHFFFAOYSA-N 0 0 536.698 3.937 50 0 KHAARN CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596713 553090974 /nfs/dbraw/zinc/09/09/74/553090974.db2.gz FVBKZRJAOOLSDQ-UHFFFAOYSA-N 0 0 555.697 3.964 50 0 KHAARN CCOc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCCCC4)cc3c2=O)cc1OCC ZINC000008596739 553091206 /nfs/dbraw/zinc/09/12/06/553091206.db2.gz KCDYSHYIHSVOAZ-UHFFFAOYSA-N 0 0 555.697 3.873 50 0 KHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccc(F)cc3)CC1)cn2C ZINC000008596807 553091194 /nfs/dbraw/zinc/09/11/94/553091194.db2.gz WATDVWQLRPGCKD-UHFFFAOYSA-N 0 0 540.661 3.593 50 0 KHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccc3F)CC1)cn2C ZINC000008596817 553091178 /nfs/dbraw/zinc/09/11/78/553091178.db2.gz LSUABIIJFMAJOB-UHFFFAOYSA-N 0 0 540.661 3.593 50 0 KHAARN CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000008596932 553091378 /nfs/dbraw/zinc/09/13/78/553091378.db2.gz AVAXNGKYHPXORK-UHFFFAOYSA-N 0 0 501.608 3.698 50 0 KHAARN COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)CC2)cc1 ZINC000008596950 553091353 /nfs/dbraw/zinc/09/13/53/553091353.db2.gz LUJMLUOLLQHEIM-MDZDMXLPSA-N 0 0 501.630 3.941 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCN(c4cccc(Cl)c4)CC2)cn3C)CC1 ZINC000008596985 553091664 /nfs/dbraw/zinc/09/16/64/553091664.db2.gz ICSHCGRPQYKXBO-UHFFFAOYSA-N 0 0 543.089 3.575 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1 ZINC000008596989 553091610 /nfs/dbraw/zinc/09/16/10/553091610.db2.gz FWNVHPJQCIUWCB-UHFFFAOYSA-N 0 0 557.116 3.883 50 0 KHAARN Cc1ccc(N2CCN(C(=O)c3cn(C)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4c3=O)C[C@@H]2C)cc1 ZINC000008596996 553091669 /nfs/dbraw/zinc/09/16/69/553091669.db2.gz QHFPJSKVHRSRSP-QFIPXVFZSA-N 0 0 536.698 3.618 50 0 KHAARN Cc1ccc(N2CCN(C(=O)c3cn(C)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4c3=O)C[C@H]2C)cc1 ZINC000008596999 553091686 /nfs/dbraw/zinc/09/16/86/553091686.db2.gz QHFPJSKVHRSRSP-JOCHJYFZSA-N 0 0 536.698 3.618 50 0 KHAARN CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000008597002 553091672 /nfs/dbraw/zinc/09/16/72/553091672.db2.gz YBMZVMWIDCDOLB-UHFFFAOYSA-N 0 0 575.687 3.758 50 0 KHAARN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2cccs2)CC1 ZINC000008597011 553091677 /nfs/dbraw/zinc/09/16/77/553091677.db2.gz LGKWCXNNYCOJPY-MDZDMXLPSA-N 0 0 501.630 3.941 50 0 aggregator KHAARN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3cccs3)CC2)c1 ZINC000008597014 553091594 /nfs/dbraw/zinc/09/15/94/553091594.db2.gz BAZPXEQGAXOMIT-CMDGGOBGSA-N 0 0 501.630 3.941 50 0 KHAARN CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000008597068 553091885 /nfs/dbraw/zinc/09/18/85/553091885.db2.gz XDJCRGPJADNLGE-UHFFFAOYSA-N 0 0 515.635 3.741 50 0 KHAARN CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000008597115 553091916 /nfs/dbraw/zinc/09/19/16/553091916.db2.gz WTCXLPTWGHRSTC-UHFFFAOYSA-N 0 0 543.089 3.730 50 0 KHAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008597120 553091878 /nfs/dbraw/zinc/09/18/78/553091878.db2.gz QCNOBNTVXALUQJ-FQEVSTJZSA-N 0 0 508.438 3.573 50 0 KHAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000008597126 553091908 /nfs/dbraw/zinc/09/19/08/553091908.db2.gz QCNOBNTVXALUQJ-HXUWFJFHSA-N 0 0 508.438 3.573 50 0 KHAARN CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000008597153 553092188 /nfs/dbraw/zinc/09/21/88/553092188.db2.gz VABWOFBRKSREKS-UHFFFAOYSA-N 0 0 543.089 3.812 50 0 KHAARN CCn1cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000008597157 553092159 /nfs/dbraw/zinc/09/21/59/553092159.db2.gz XAIUINMTASLTGC-UHFFFAOYSA-N 0 0 536.698 3.775 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2-c2cccc(F)c2)CC1 ZINC000008597175 553092180 /nfs/dbraw/zinc/09/21/80/553092180.db2.gz QBTJEZIHQPKAJQ-UHFFFAOYSA-N 0 0 535.624 3.878 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000008597267 553092536 /nfs/dbraw/zinc/09/25/36/553092536.db2.gz XTFHTFKOWYSQGT-UHFFFAOYSA-N 0 0 535.624 3.878 50 0 KHAARN CN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000008597491 553093278 /nfs/dbraw/zinc/09/32/78/553093278.db2.gz LQOBYYHOIVEXQT-UHFFFAOYSA-N 0 0 510.015 3.721 50 0 KHAARN COc1ccc(-n2ncc(C(=O)N3CCN(c4ncccn4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597661 553093635 /nfs/dbraw/zinc/09/36/35/553093635.db2.gz TZQPWLCCYCEMGG-UHFFFAOYSA-N 0 0 547.660 3.748 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000008597669 553093820 /nfs/dbraw/zinc/09/38/20/553093820.db2.gz LULVNNLGVZIUFK-UHFFFAOYSA-N 0 0 551.596 3.733 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1Cl ZINC000008597711 553093822 /nfs/dbraw/zinc/09/38/22/553093822.db2.gz MZPCJZZDYPQARY-XMMPIXPASA-N 0 0 500.935 3.649 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)cc1Cl ZINC000008597714 553093826 /nfs/dbraw/zinc/09/38/26/553093826.db2.gz MZPCJZZDYPQARY-DEOSSOPVSA-N 0 0 500.935 3.649 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2c(F)cccc2Cl)C3=O)cc1 ZINC000008597732 553093789 /nfs/dbraw/zinc/09/37/89/553093789.db2.gz VOKFQDAZKRGQKV-XMMPIXPASA-N 0 0 500.935 3.649 50 0 KHAARN CCN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000008597733 553093796 /nfs/dbraw/zinc/09/37/96/553093796.db2.gz OUQSOPKGCCRDGG-UHFFFAOYSA-N 0 0 507.587 3.597 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2c(F)cccc2Cl)C3=O)cc1 ZINC000008597735 553093834 /nfs/dbraw/zinc/09/38/34/553093834.db2.gz VOKFQDAZKRGQKV-DEOSSOPVSA-N 0 0 500.935 3.649 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2-c2ccccc2)CC1 ZINC000008597780 553094096 /nfs/dbraw/zinc/09/40/96/553094096.db2.gz LEPBZRGKWDJXBE-UHFFFAOYSA-N 0 0 517.634 3.739 50 0 KHAARN CCN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000008597944 553094350 /nfs/dbraw/zinc/09/43/50/553094350.db2.gz BSGCLGKLOVPUGV-UHFFFAOYSA-N 0 0 507.587 3.597 50 0 KHAARN Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(C)CC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008597977 553094716 /nfs/dbraw/zinc/09/47/16/553094716.db2.gz NEEGEFCXURMKLZ-UHFFFAOYSA-N 0 0 503.624 3.684 50 0 KHAARN COc1ccc(CCNC(=O)Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)cc1OC ZINC000008598840 553095149 /nfs/dbraw/zinc/09/51/49/553095149.db2.gz LRLDULUCGHXVLI-UHFFFAOYSA-N 0 0 519.985 3.965 50 0 KHAARN 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KHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cccc(C)c2)c1 ZINC000008684010 553113159 /nfs/dbraw/zinc/11/31/59/553113159.db2.gz HAWSJSTYOMTWTR-UHFFFAOYSA-N 0 0 578.720 3.795 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000008684015 553113156 /nfs/dbraw/zinc/11/31/56/553113156.db2.gz WDWAPPGVAQBMET-UHFFFAOYSA-N 0 0 582.683 3.626 50 0 KHAARN Cc1cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2c2ccccc12 ZINC000008684424 553113443 /nfs/dbraw/zinc/11/34/43/553113443.db2.gz KGDNXWDUUPVAOD-UHFFFAOYSA-N 0 0 532.047 3.596 50 0 KHAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccc(C)cc4s3)o2)cc(OC)c1OC ZINC000008684476 553113483 /nfs/dbraw/zinc/11/34/83/553113483.db2.gz LGOHZHJHPBHSLM-UHFFFAOYSA-N 0 0 529.600 3.674 50 0 KHAARN COc1ccc2cc(-c3cc(C(=O)OCC(=O)N[C@@H]4CCS(=O)(=O)C4)c4ccccc4n3)ccc2c1 ZINC000008684876 553113742 /nfs/dbraw/zinc/11/37/42/553113742.db2.gz FCZNWTSWQWTZQI-HXUWFJFHSA-N 0 0 504.564 3.524 50 0 KHAARN COc1ccc2cc(-c3cc(C(=O)OCC(=O)N[C@H]4CCS(=O)(=O)C4)c4ccccc4n3)ccc2c1 ZINC000008684878 553113645 /nfs/dbraw/zinc/11/36/45/553113645.db2.gz FCZNWTSWQWTZQI-FQEVSTJZSA-N 0 0 504.564 3.524 50 0 KHAARN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCC)cc2)cc1 ZINC000008684901 553113719 /nfs/dbraw/zinc/11/37/19/553113719.db2.gz YYCHPGKSQKIZSV-PMACEKPBSA-N 0 0 504.649 3.887 50 0 KHAARN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCC)cc2)cc1 ZINC000008684902 553113685 /nfs/dbraw/zinc/11/36/85/553113685.db2.gz YYCHPGKSQKIZSV-WOJBJXKFSA-N 0 0 504.649 3.887 50 0 KHAARN CCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008685056 553113988 /nfs/dbraw/zinc/11/39/88/553113988.db2.gz SJWZJZHTNAQHPP-HSZRJFAPSA-N 0 0 546.649 3.897 50 0 KHAARN CCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008685057 553113963 /nfs/dbraw/zinc/11/39/63/553113963.db2.gz SJWZJZHTNAQHPP-QHCPKHFHSA-N 0 0 546.649 3.897 50 0 KHAARN Cc1nn(-c2ccc(C)cc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c12 ZINC000008685108 553113978 /nfs/dbraw/zinc/11/39/78/553113978.db2.gz OHEDCFNZVFZNSX-QFIPXVFZSA-N 0 0 532.622 3.507 50 0 KHAARN CCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008685472 553114254 /nfs/dbraw/zinc/11/42/54/553114254.db2.gz DXBIDAVDWAYEAX-JOCHJYFZSA-N 0 0 532.622 3.588 50 0 KHAARN CCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008685473 553114178 /nfs/dbraw/zinc/11/41/78/553114178.db2.gz DXBIDAVDWAYEAX-QFIPXVFZSA-N 0 0 532.622 3.588 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008685555 553114636 /nfs/dbraw/zinc/11/46/36/553114636.db2.gz NTBDELHVMRJAKO-UHFFFAOYSA-N 0 0 589.070 3.930 50 0 aggregator KHAARN CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1CC ZINC000008685762 553114802 /nfs/dbraw/zinc/11/48/02/553114802.db2.gz OHLZRKAWQZXTNZ-UHFFFAOYSA-N 0 0 525.627 3.566 50 0 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0 0 581.560 3.767 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000008686273 553115174 /nfs/dbraw/zinc/11/51/74/553115174.db2.gz MPIVYELYHIUTIW-ZDUSSCGKSA-N 0 0 544.973 3.503 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000008686275 553115154 /nfs/dbraw/zinc/11/51/54/553115154.db2.gz MPIVYELYHIUTIW-CYBMUJFWSA-N 0 0 544.973 3.503 50 0 KHAARN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 ZINC000008687373 561707614 /nfs/dbraw/zinc/70/76/14/561707614.db2.gz PLNRXNZWMSENFG-VWLOTQADSA-N 0 0 518.566 3.665 50 0 KHAARN O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 ZINC000008687374 553116637 /nfs/dbraw/zinc/11/66/37/553116637.db2.gz PLNRXNZWMSENFG-RUZDIDTESA-N 0 0 518.566 3.665 50 0 biogenic KHAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)n1 ZINC000008687796 553116827 /nfs/dbraw/zinc/11/68/27/553116827.db2.gz DOEIBGYQOHCKSX-UHFFFAOYSA-N 0 0 504.572 3.688 50 0 aggregator KHAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000008691509 553117644 /nfs/dbraw/zinc/11/76/44/553117644.db2.gz DUVHCCAMKSCATK-MOHJPFBDSA-N 0 0 517.582 3.929 50 0 KHAARN CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2ccc(OC)cc2)CC1 ZINC000008691510 553117619 /nfs/dbraw/zinc/11/76/19/553117619.db2.gz DGMIJDLSAQUHAL-PGMHBOJBSA-N 0 0 516.392 3.529 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000008691565 553117632 /nfs/dbraw/zinc/11/76/32/553117632.db2.gz DGDACMHOPGMUMR-FQEVSTJZSA-N 0 0 528.352 3.908 50 0 KHAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N2NC(=O)c2ccncc2)cc1 ZINC000008691566 553117663 /nfs/dbraw/zinc/11/76/63/553117663.db2.gz DGDACMHOPGMUMR-HXUWFJFHSA-N 0 0 528.352 3.908 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)cc1OC ZINC000008691694 553117715 /nfs/dbraw/zinc/11/77/15/553117715.db2.gz XDQKYJCGUJYQAH-XPWALMASSA-N 0 0 520.582 3.998 50 0 KHAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008692378 553118196 /nfs/dbraw/zinc/11/81/96/553118196.db2.gz QDQPCHOOCBJMEL-UHFFFAOYSA-N 0 0 562.950 3.713 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000008692709 553118249 /nfs/dbraw/zinc/11/82/49/553118249.db2.gz CUBXYBQRYVCXBM-UHFFFAOYSA-N 0 0 564.689 3.505 50 0 aggregator KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008692719 553118144 /nfs/dbraw/zinc/11/81/44/553118144.db2.gz DSPMBUUOYNEQSW-UHFFFAOYSA-N 0 0 571.080 3.791 50 0 aggregator KHAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1C ZINC000008692788 553118570 /nfs/dbraw/zinc/11/85/70/553118570.db2.gz CCJFXCZALRJYHZ-INIZCTEOSA-N 0 0 510.012 3.846 50 0 KHAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1C ZINC000008692790 553118598 /nfs/dbraw/zinc/11/85/98/553118598.db2.gz CCJFXCZALRJYHZ-MRXNPFEDSA-N 0 0 510.012 3.846 50 0 KHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000008693888 553118883 /nfs/dbraw/zinc/11/88/83/553118883.db2.gz DPMWJOOETMPQLX-UHFFFAOYSA-N 0 0 506.559 3.952 50 0 KHAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000008693902 553118819 /nfs/dbraw/zinc/11/88/19/553118819.db2.gz LRBNZMYAKDJZEM-UHFFFAOYSA-N 0 0 504.568 3.585 50 0 aggregator KHAARN CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000008694072 553119170 /nfs/dbraw/zinc/11/91/70/553119170.db2.gz CMCKRLWPTRHLNP-UHFFFAOYSA-N 0 0 528.052 3.947 50 0 KHAARN CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000008694401 553119499 /nfs/dbraw/zinc/11/94/99/553119499.db2.gz AXXZUIHJNRUQCF-UHFFFAOYSA-N 0 0 530.604 3.853 50 0 KHAARN CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 ZINC000008694404 553119534 /nfs/dbraw/zinc/11/95/34/553119534.db2.gz NSEFRWUZVJSUDD-SANMLTNESA-N 0 0 530.604 3.853 50 0 KHAARN 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O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)NCc1ccccc1Cl ZINC000008756909 553136247 /nfs/dbraw/zinc/13/62/47/553136247.db2.gz KLMQJDIZQBJHBS-UHFFFAOYSA-N 0 0 517.925 3.656 50 0 KHAARN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc2O)cc1 ZINC000008757018 553136488 /nfs/dbraw/zinc/13/64/88/553136488.db2.gz BLKOZFTVJHTBLN-UHFFFAOYSA-N 0 0 501.586 3.772 50 0 KHAARN COc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(O)n2)cc1 ZINC000008757026 553136471 /nfs/dbraw/zinc/13/64/71/553136471.db2.gz JDIHYHIJTZVIRY-UHFFFAOYSA-N 0 0 501.630 3.730 50 0 KHAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 ZINC000008758891 553137260 /nfs/dbraw/zinc/13/72/60/553137260.db2.gz MRRSKLMBOANABM-SFHVURJKSA-N 0 0 504.587 3.750 50 0 KHAARN COc1ccccc1N1CCN(c2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 ZINC000008758893 553137254 /nfs/dbraw/zinc/13/72/54/553137254.db2.gz MRRSKLMBOANABM-GOSISDBHSA-N 0 0 504.587 3.750 50 0 KHAARN 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/nfs/dbraw/zinc/13/99/79/553139979.db2.gz LSUPJLBIORQNKY-QFIPXVFZSA-N 0 0 502.571 3.941 50 0 KHAARN Cc1c(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)OC34CCCCC4)cc2)c(=O)n(-c2ccccc2)n1C ZINC000008768223 553140228 /nfs/dbraw/zinc/14/02/28/553140228.db2.gz LSUPJLBIORQNKY-JOCHJYFZSA-N 0 0 502.571 3.941 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)n2c(=O)cc(CC)nc2-n2nc(C)cc2C)c(C(=O)OCC)c1C ZINC000008768955 553140184 /nfs/dbraw/zinc/14/01/84/553140184.db2.gz RYHLDBGRKSPLPH-INIZCTEOSA-N 0 0 529.619 3.531 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)n2c(=O)cc(CC)nc2-n2nc(C)cc2C)c(C(=O)OCC)c1C ZINC000008768956 553140191 /nfs/dbraw/zinc/14/01/91/553140191.db2.gz RYHLDBGRKSPLPH-MRXNPFEDSA-N 0 0 529.619 3.531 50 0 KHAARN CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)NCc2ccccc2)CO1 ZINC000008769903 553140716 /nfs/dbraw/zinc/14/07/16/553140716.db2.gz HTXDTCCGKHXCEL-UHFFFAOYSA-N 0 0 503.624 3.635 50 0 KHAARN COc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(CCc3ccccc3)c2=O)CC(C)(C)OC4)cc1 ZINC000008769913 553140668 /nfs/dbraw/zinc/14/06/68/553140668.db2.gz XOONBKDHALDLTI-UHFFFAOYSA-N 0 0 519.623 3.966 50 0 KHAARN Cc1c(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000008770554 553141039 /nfs/dbraw/zinc/14/10/39/553141039.db2.gz ULFSLQZEVOKOQX-VYIQYICTSA-N 0 0 525.997 3.983 50 0 KHAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1 ZINC000008770645 553141009 /nfs/dbraw/zinc/14/10/09/553141009.db2.gz JVJFXZHPAUEVCW-IYOYZZHUSA-N 0 0 596.648 3.787 50 0 KHAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1 ZINC000008770654 553141042 /nfs/dbraw/zinc/14/10/42/553141042.db2.gz FVIGKMQLHNIMHA-OVXWJCGASA-N 0 0 578.658 3.648 50 0 KHAARN Cc1c(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCC2)nnn1-c1ccc(F)cc1 ZINC000008770667 553140990 /nfs/dbraw/zinc/14/09/90/553140990.db2.gz JLPFWUKZQHMNEF-ROMGYVFFSA-N 0 0 511.970 3.593 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3-c3ccccc3)s2)cc1 ZINC000008770689 553141059 /nfs/dbraw/zinc/14/10/59/553141059.db2.gz HZYUSSIEKUBUPL-PNOGMODKSA-N 0 0 585.621 3.543 50 0 KHAARN COc1cc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCC2)cc(OC)c1OC ZINC000008770696 553140974 /nfs/dbraw/zinc/14/09/74/553140974.db2.gz QDLZJUDXFFNGHN-LVWGJNHUSA-N 0 0 502.980 3.590 50 0 KHAARN Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3nnsc3N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2n1 ZINC000008771161 553141261 /nfs/dbraw/zinc/14/12/61/553141261.db2.gz ANPIUQXFTIWTPF-UXHICEINSA-N 0 0 539.665 3.873 50 0 KHAARN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008773068 553141493 /nfs/dbraw/zinc/14/14/93/553141493.db2.gz QXZGWJIGCIDHMD-UHFFFAOYSA-N 0 0 534.862 3.931 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 ZINC000008773069 553141521 /nfs/dbraw/zinc/14/15/21/553141521.db2.gz ZRJPEILRABLPLT-UHFFFAOYSA-N 0 0 514.444 3.586 50 0 KHAARN CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008773149 553141545 /nfs/dbraw/zinc/14/15/45/553141545.db2.gz BUEDIVPRPROXBV-UHFFFAOYSA-N 0 0 577.711 3.941 50 0 KHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000008774324 553142092 /nfs/dbraw/zinc/14/20/92/553142092.db2.gz QSTWPIDPTPYCKG-UHFFFAOYSA-N 0 0 500.598 3.865 50 0 KHAARN CC(C)CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c(Cl)cc1Cl ZINC000008774332 553142111 /nfs/dbraw/zinc/14/21/11/553142111.db2.gz ZHYXENXQQXHTBF-UHFFFAOYSA-N 0 0 502.372 3.739 50 0 aggregator KHAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1C ZINC000008774540 553142067 /nfs/dbraw/zinc/14/20/67/553142067.db2.gz XQZFTXRVMRVUSY-QFIPXVFZSA-N 0 0 530.002 3.749 50 0 aggregator KHAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1C ZINC000008774544 553142053 /nfs/dbraw/zinc/14/20/53/553142053.db2.gz XQZFTXRVMRVUSY-JOCHJYFZSA-N 0 0 530.002 3.749 50 0 aggregator KHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008774661 553142106 /nfs/dbraw/zinc/14/21/06/553142106.db2.gz IZKQCBDBZHVWFU-DHZHZOJOSA-N 0 0 541.022 3.591 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000008774675 553142086 /nfs/dbraw/zinc/14/20/86/553142086.db2.gz UXVDVXVXQNZDAZ-UHFFFAOYSA-N 0 0 589.070 3.930 50 0 aggregator KHAARN Cn1c2nc(N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000008775082 553142393 /nfs/dbraw/zinc/14/23/93/553142393.db2.gz ZSBJCQKYEGRGTL-UHFFFAOYSA-N 0 0 535.648 3.635 50 0 KHAARN Cc1ccc(Cn2c3c(nc2N2CCC(C(O)(c4ccccc4)c4ccccc4)CC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008775086 553142326 /nfs/dbraw/zinc/14/23/26/553142326.db2.gz JVKFAJIJMWGQGM-UHFFFAOYSA-N 0 0 549.675 3.943 50 0 KHAARN O=C(NCCNC(=O)C(Cl)(Cl)Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008781902 553144709 /nfs/dbraw/zinc/14/47/09/553144709.db2.gz XOBMOUJVSOFRSL-UHFFFAOYSA-N 0 0 505.626 3.785 50 0 KHAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000008788776 553144994 /nfs/dbraw/zinc/14/49/94/553144994.db2.gz PIBCKNBUVZCYDU-UGKGYDQZSA-N 0 0 502.656 3.616 50 0 biogenic KHAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008788892 553145252 /nfs/dbraw/zinc/14/52/52/553145252.db2.gz YMMBKLZKVWWXQO-LGGPFLRQSA-N 0 0 505.615 3.769 50 0 biogenic KHAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCO)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000008788893 553145214 /nfs/dbraw/zinc/14/52/14/553145214.db2.gz YMMBKLZKVWWXQO-PBBNMVCDSA-N 0 0 505.615 3.769 50 0 biogenic KHAARN CCOC(=O)C1CCN(c2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000008789549 553145717 /nfs/dbraw/zinc/14/57/17/553145717.db2.gz XYVYPYCGAREKRP-QFIPXVFZSA-N 0 0 524.614 3.643 50 0 biogenic KHAARN CC(C)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)cc1 ZINC000008789656 553145686 /nfs/dbraw/zinc/14/56/86/553145686.db2.gz JMJYMKTVEZJARK-FCHUYYIVSA-N 0 0 518.630 3.543 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008789753 553145903 /nfs/dbraw/zinc/14/59/03/553145903.db2.gz DXSUJUXEXCFXSJ-PBBNMVCDSA-N 0 0 505.615 3.769 50 0 biogenic KHAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2cccc(Cl)c2)s1 ZINC000008792060 553147520 /nfs/dbraw/zinc/14/75/20/553147520.db2.gz LXBMEKWVFHXKRK-UHFFFAOYSA-N 0 0 500.009 3.741 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008801793 553148042 /nfs/dbraw/zinc/14/80/42/553148042.db2.gz GNXXIBYQSDPZKJ-UHFFFAOYSA-N 0 0 589.070 3.930 50 0 aggregator KHAARN CCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21)c1cccc(C)c1 ZINC000008811269 553149076 /nfs/dbraw/zinc/14/90/76/553149076.db2.gz SGEZZWJKCKXKTI-NRFANRHFSA-N 0 0 524.687 3.904 50 0 KHAARN CCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000008811301 553149066 /nfs/dbraw/zinc/14/90/66/553149066.db2.gz VUCJPUZSIDBFMU-UHFFFAOYSA-N 0 0 510.660 3.658 50 0 KHAARN CCCCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008811405 553149123 /nfs/dbraw/zinc/14/91/23/553149123.db2.gz LOYKAPWUYRAOSO-UHFFFAOYSA-N 0 0 510.660 3.739 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCc2ccc(Cl)cc2)C(=O)CS3)CC1 ZINC000008811531 553149344 /nfs/dbraw/zinc/14/93/44/553149344.db2.gz QJCNKFXVHSLRRO-UHFFFAOYSA-N 0 0 522.092 3.558 50 0 KHAARN CCOc1ccccc1CNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000008811786 553149271 /nfs/dbraw/zinc/14/92/71/553149271.db2.gz NXKOHJSPONWGCA-UHFFFAOYSA-N 0 0 525.627 3.661 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)CC2)cc1 ZINC000008811996 553149590 /nfs/dbraw/zinc/14/95/90/553149590.db2.gz PEPAZUPBEKTGHG-UHFFFAOYSA-N 0 0 503.709 3.863 50 0 KHAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCCc1ccc(Cl)cc1 ZINC000008812348 553149878 /nfs/dbraw/zinc/14/98/78/553149878.db2.gz NTQCBGQAYYQLIB-UHFFFAOYSA-N 0 0 522.092 3.702 50 0 KHAARN Cc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)cc1 ZINC000008812507 553149816 /nfs/dbraw/zinc/14/98/16/553149816.db2.gz RNFYGPJXPDUWND-UHFFFAOYSA-N 0 0 501.674 3.703 50 0 KHAARN CN(Cc1ccccc1)C(=O)CN1c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2SCC1=O ZINC000008812630 553150069 /nfs/dbraw/zinc/15/00/69/553150069.db2.gz ZRSZSARFCVBTPU-UHFFFAOYSA-N 0 0 501.674 3.737 50 0 KHAARN CCc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)cc1 ZINC000008812816 553150384 /nfs/dbraw/zinc/15/03/84/553150384.db2.gz QDOLZKDSOJBBSO-UHFFFAOYSA-N 0 0 515.701 3.957 50 0 KHAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)CS2 ZINC000008812967 553150613 /nfs/dbraw/zinc/15/06/13/553150613.db2.gz JOHPVMKQYVDGHX-UHFFFAOYSA-N 0 0 505.637 3.534 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)CC2)cc1 ZINC000008813590 553151196 /nfs/dbraw/zinc/15/11/96/553151196.db2.gz GXBYYLMSBBHPFK-KHRZNOOSSA-N 0 0 526.703 3.775 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)CC2)cc1 ZINC000008813593 553151101 /nfs/dbraw/zinc/15/11/01/553151101.db2.gz GXBYYLMSBBHPFK-DNFKCEGXSA-N 0 0 526.703 3.775 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)cc1 ZINC000008813612 553151148 /nfs/dbraw/zinc/15/11/48/553151148.db2.gz GCXZMIOZBGUPEI-UHFFFAOYSA-N 0 0 526.703 3.695 50 0 KHAARN CC1CCN(c2ccc(C(=O)N3CCOCC3)cc2NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000008813740 553151142 /nfs/dbraw/zinc/15/11/42/553151142.db2.gz SFKGECPMWWJUJY-UHFFFAOYSA-N 0 0 522.465 3.959 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCCC3)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000008813753 553151069 /nfs/dbraw/zinc/15/10/69/553151069.db2.gz POTDTLZSPHVNCS-UHFFFAOYSA-N 0 0 514.648 3.700 50 0 KHAARN CCCCN(CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O)c1ccccc1 ZINC000008813798 553151105 /nfs/dbraw/zinc/15/11/05/553151105.db2.gz SMGPODPHQNJHAN-UHFFFAOYSA-N 0 0 512.676 3.985 50 0 KHAARN CCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000008813820 553151131 /nfs/dbraw/zinc/15/11/31/553151131.db2.gz IRFIAQKWTCSHFK-UHFFFAOYSA-N 0 0 510.660 3.739 50 0 KHAARN C[C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccn3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)[C@@H]1C ZINC000008813879 553151092 /nfs/dbraw/zinc/15/10/92/553151092.db2.gz ALGPGXKXPBCLLM-PWHSHALESA-N 0 0 508.644 3.872 50 0 KHAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccn3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)[C@@H]1C ZINC000008813883 553151180 /nfs/dbraw/zinc/15/11/80/553151180.db2.gz ALGPGXKXPBCLLM-DNVFCKCGSA-N 0 0 508.644 3.872 50 0 KHAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000008814197 553151361 /nfs/dbraw/zinc/15/13/61/553151361.db2.gz ULZNWEXAKBRIJI-UHFFFAOYSA-N 0 0 524.662 3.555 50 0 KHAARN COc1ccc(OCc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2-c2ccccc2)cc1 ZINC000008815926 553151828 /nfs/dbraw/zinc/15/18/28/553151828.db2.gz CUZVOVYSOIWUQU-UHFFFAOYSA-N 0 0 501.568 3.932 50 0 KHAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)c1 ZINC000008816371 553151789 /nfs/dbraw/zinc/15/17/89/553151789.db2.gz NNJKCTJKXINAAP-UCQKPKSFSA-N 0 0 502.502 3.683 50 0 KHAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)cc(S(=O)(=O)N2CCCCC2)c1OC ZINC000008816896 553152388 /nfs/dbraw/zinc/15/23/88/553152388.db2.gz JTAKDHGWHPROPT-UHFFFAOYSA-N 0 0 508.596 3.870 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008816953 553152390 /nfs/dbraw/zinc/15/23/90/553152390.db2.gz KAKKGXRJYUQTRF-XSZPGNIMSA-N 0 0 504.608 3.847 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000008816954 553152273 /nfs/dbraw/zinc/15/22/73/553152273.db2.gz KAKKGXRJYUQTRF-XXMKCSCWSA-N 0 0 504.608 3.847 50 0 KHAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)NCc2ccco2)cc1OC ZINC000008817720 553152908 /nfs/dbraw/zinc/15/29/08/553152908.db2.gz BKWSRTRWPMGNCD-UHFFFAOYSA-N 0 0 520.563 3.767 50 0 KHAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc4c(c3)OCO4)sc2=N1 ZINC000008817846 553153111 /nfs/dbraw/zinc/15/31/11/553153111.db2.gz WFFRYVYJLVFLHK-ZDGAQAAHSA-N 0 0 513.550 3.742 50 0 KHAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C\c3ccc4c(c3)OCO4)sc2=N1 ZINC000008817847 553153136 /nfs/dbraw/zinc/15/31/36/553153136.db2.gz WFFRYVYJLVFLHK-AQIZGWBQSA-N 0 0 513.550 3.742 50 0 KHAARN CCOC(=O)c1sc(NC(=O)CCSCCC(=O)Nc2nc(C)c(C(=O)OCC)s2)nc1C ZINC000008826594 553156139 /nfs/dbraw/zinc/15/61/39/553156139.db2.gz DOIAVNZHMUULKB-UHFFFAOYSA-N 0 0 514.651 3.660 50 0 KHAARN CCCCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)s1 ZINC000008828845 553157450 /nfs/dbraw/zinc/15/74/50/553157450.db2.gz DKMVGJQZEYWODS-UHFFFAOYSA-N 0 0 505.691 3.529 50 0 aggregator KHAARN Cc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)cc1S(=O)(=O)N1CCOCC1 ZINC000008829607 553157717 /nfs/dbraw/zinc/15/77/17/553157717.db2.gz VTRZETWGRGAWKC-UHFFFAOYSA-N 0 0 503.580 3.757 50 0 KHAARN CC(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008829612 553157701 /nfs/dbraw/zinc/15/77/01/553157701.db2.gz FWJBQHUHXWCBCA-UHFFFAOYSA-N 0 0 564.133 3.684 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)Nc1ccccc1C(F)(F)F ZINC000008830339 553157946 /nfs/dbraw/zinc/15/79/46/553157946.db2.gz CQACQYJXNLNZBR-UHFFFAOYSA-N 0 0 587.627 3.561 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000008830489 553158224 /nfs/dbraw/zinc/15/82/24/553158224.db2.gz PMPDPKXFAMVWFG-UHFFFAOYSA-N 0 0 593.702 3.940 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1 ZINC000008830491 553158212 /nfs/dbraw/zinc/15/82/12/553158212.db2.gz MEBHXPYWIVEWIK-UHFFFAOYSA-N 0 0 503.602 3.589 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008830526 553158204 /nfs/dbraw/zinc/15/82/04/553158204.db2.gz SLXVLZIMHNVOJC-UHFFFAOYSA-N 0 0 541.601 3.531 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)CC1 ZINC000008830846 553158233 /nfs/dbraw/zinc/15/82/33/553158233.db2.gz IHTUQIPWEUKWSK-UHFFFAOYSA-N 0 0 504.583 3.926 50 0 KHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c1 ZINC000008830863 553158131 /nfs/dbraw/zinc/15/81/31/553158131.db2.gz UKJZUKLGAZTBRA-UHFFFAOYSA-N 0 0 562.648 3.777 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c1=O ZINC000008830867 553158154 /nfs/dbraw/zinc/15/81/54/553158154.db2.gz AWFUUPVGLVYYNJ-UHFFFAOYSA-N 0 0 634.645 3.686 50 0 aggregator KHAARN CC1CCN(S(=O)(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)c3cccc4c3c2SC4=O)CC1 ZINC000008833762 553160379 /nfs/dbraw/zinc/16/03/79/553160379.db2.gz ZVYHHMDBYBYDQC-UHFFFAOYSA-N 0 0 508.687 3.927 50 0 KHAARN COc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000008834633 553161071 /nfs/dbraw/zinc/16/10/71/553161071.db2.gz FKQFJONPRLDKRA-UHFFFAOYSA-N 0 0 501.538 3.916 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)cc1 ZINC000008837203 553163711 /nfs/dbraw/zinc/16/37/11/553163711.db2.gz JQRZXLPPXGVVRD-UHFFFAOYSA-N 0 0 510.616 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008837223 553163696 /nfs/dbraw/zinc/16/36/96/553163696.db2.gz MPVNZYCZEUIMSE-AQIZGWBQSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008837224 553163708 /nfs/dbraw/zinc/16/37/08/553163708.db2.gz MPVNZYCZEUIMSE-ZDGAQAAHSA-N 0 0 506.624 3.939 50 0 KHAARN Cc1cccc(C(=O)Oc2ccc([C@@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)c1 ZINC000008837483 553164028 /nfs/dbraw/zinc/16/40/28/553164028.db2.gz SYDLZDUBIDAHPS-GOTSBHOMSA-N 0 0 505.530 3.690 50 0 KHAARN Cc1cccc(C(=O)Oc2ccc([C@H]3c4c(n(C)c(=O)n(C)c4=O)N=C4c5ccccc5C(=O)[C@H]43)cc2)c1 ZINC000008837484 553164010 /nfs/dbraw/zinc/16/40/10/553164010.db2.gz SYDLZDUBIDAHPS-PKTZIBPZSA-N 0 0 505.530 3.690 50 0 KHAARN COc1cc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(Br)c1O ZINC000008845159 553165270 /nfs/dbraw/zinc/16/52/70/553165270.db2.gz OSQUADMRHUYFJF-HXUWFJFHSA-N 0 0 502.365 3.803 50 0 KHAARN COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(Br)c1O ZINC000008845160 553165628 /nfs/dbraw/zinc/16/56/28/553165628.db2.gz OSQUADMRHUYFJF-FQEVSTJZSA-N 0 0 502.365 3.803 50 0 KHAARN COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc(Br)c1O ZINC000008845171 553165636 /nfs/dbraw/zinc/16/56/36/553165636.db2.gz JDVQDEOKXABQIF-LJQANCHMSA-N 0 0 508.756 3.758 50 0 KHAARN COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)cc(Br)c1O ZINC000008845172 553165585 /nfs/dbraw/zinc/16/55/85/553165585.db2.gz JDVQDEOKXABQIF-IBGZPJMESA-N 0 0 508.756 3.758 50 0 KHAARN CCCCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000008846559 553166298 /nfs/dbraw/zinc/16/62/98/553166298.db2.gz FSICQLGUJKZESA-UHFFFAOYSA-N 0 0 525.606 3.531 50 0 KHAARN CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)s1 ZINC000008846771 553166599 /nfs/dbraw/zinc/16/65/99/553166599.db2.gz XLHRQIMKNMOLPR-UHFFFAOYSA-N 0 0 519.612 3.716 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000008854691 553166789 /nfs/dbraw/zinc/16/67/89/553166789.db2.gz HURFFFRCSHQNDT-XSZPGNIMSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000008854692 553166812 /nfs/dbraw/zinc/16/68/12/553166812.db2.gz HURFFFRCSHQNDT-XXMKCSCWSA-N 0 0 500.576 3.666 50 0 KHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)cc1 ZINC000008855230 553167013 /nfs/dbraw/zinc/16/70/13/553167013.db2.gz DKGJXQYIYPZYNH-UHFFFAOYSA-N 0 0 513.623 3.946 50 0 KHAARN CCOC(=O)[C@](NC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)(OCC(F)(F)F)C(F)(F)F ZINC000008856738 553167546 /nfs/dbraw/zinc/16/75/46/553167546.db2.gz DUJQTYVYAVDNSX-KRWDZBQOSA-N 0 0 506.421 3.936 50 0 KHAARN COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000008857000 553167829 /nfs/dbraw/zinc/16/78/29/553167829.db2.gz KDZNBNNSMQHVIF-DELVEFKNSA-N 0 0 504.970 3.953 50 0 KHAARN COc1ccc([C@@H]2C[C@H](CN(N(C)c3ncc(C(F)(F)F)cc3Cl)S(C)(=O)=O)ON2C)cc1 ZINC000008857035 553168080 /nfs/dbraw/zinc/16/80/80/553168080.db2.gz ODOCRHWNAJGZMM-AEFFLSMTSA-N 0 0 508.950 3.752 50 0 KHAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NC2CCCCC2)c1 ZINC000008860351 553170126 /nfs/dbraw/zinc/17/01/26/553170126.db2.gz XAEWHHSGURRKFD-UHFFFAOYSA-N 0 0 524.643 3.984 50 0 KHAARN COC(=O)c1c2c(sc1NC(=O)c1nc(S(=O)(=O)Cc3ccc(F)cc3)ncc1Cl)CCC2 ZINC000008867543 553170832 /nfs/dbraw/zinc/17/08/32/553170832.db2.gz FNSPBOPOABHPBS-UHFFFAOYSA-N 0 0 509.968 3.832 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCc3ccccc3-4)cc2)CC1 ZINC000008872453 553173325 /nfs/dbraw/zinc/17/33/25/553173325.db2.gz CWJOUNDYJLVGQO-UHFFFAOYSA-N 0 0 526.640 3.624 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)cc2)CC1 ZINC000008872454 553173321 /nfs/dbraw/zinc/17/33/21/553173321.db2.gz JJEGQWQBQHHGQB-UHFFFAOYSA-N 0 0 514.629 3.834 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)cc2)CC1 ZINC000008872455 553173543 /nfs/dbraw/zinc/17/35/43/553173543.db2.gz HRRZJFMLDLSYGT-UHFFFAOYSA-N 0 0 542.639 3.728 50 0 KHAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)nc1-c1ccccc1 ZINC000008872456 553173488 /nfs/dbraw/zinc/17/34/88/553173488.db2.gz FJOCNVOZQIOCIQ-UHFFFAOYSA-N 0 0 572.665 3.702 50 0 KHAARN COc1ccc(CCNC(=O)[C@@H](NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)C(C)C)cc1OC ZINC000008876201 553175106 /nfs/dbraw/zinc/17/51/06/553175106.db2.gz RPWSMDLNHWKKQC-QHWMMSMNSA-N 0 0 525.671 3.552 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008876235 553175111 /nfs/dbraw/zinc/17/51/11/553175111.db2.gz AVASWAWPHQXNIE-WSNOQYBDSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008876237 553175109 /nfs/dbraw/zinc/17/51/09/553175109.db2.gz AVASWAWPHQXNIE-IATMXGELSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000008876269 553175112 /nfs/dbraw/zinc/17/51/12/553175112.db2.gz VVZPZNFNYYKYFX-GNKBHMEESA-N 0 0 516.667 3.935 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008876354 553175358 /nfs/dbraw/zinc/17/53/58/553175358.db2.gz YYAHDCGHROJYNX-JPQHPUQJSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008876357 553175391 /nfs/dbraw/zinc/17/53/91/553175391.db2.gz YYAHDCGHROJYNX-HLOKDREVSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008876376 553175331 /nfs/dbraw/zinc/17/53/31/553175331.db2.gz UXHFXBHPLBSSST-UNCTUWKVSA-N 0 0 506.606 3.892 50 0 biogenic KHAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008876377 553175401 /nfs/dbraw/zinc/17/54/01/553175401.db2.gz UXHFXBHPLBSSST-NSVAZKTRSA-N 0 0 506.606 3.892 50 0 biogenic KHAARN Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008878274 553175504 /nfs/dbraw/zinc/17/55/04/553175504.db2.gz VTQSQODRLZIUIF-FPOVZHCZSA-N 0 0 528.646 3.718 50 0 biogenic KHAARN Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]3CCCO3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008878279 553175546 /nfs/dbraw/zinc/17/55/46/553175546.db2.gz VTQSQODRLZIUIF-CTNGQTDRSA-N 0 0 528.646 3.718 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCc1c[nH]c2ccccc12 ZINC000008878403 553175925 /nfs/dbraw/zinc/17/59/25/553175925.db2.gz BTLYFLDWDSTVRK-QLXKLKPCSA-N 0 0 516.598 3.735 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1)C(=O)OC ZINC000008879188 553175908 /nfs/dbraw/zinc/17/59/08/553175908.db2.gz XSKNTWZNGHYQNJ-MNCIPDHPSA-N 0 0 500.592 3.966 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1)C(=O)OC ZINC000008879191 553175970 /nfs/dbraw/zinc/17/59/70/553175970.db2.gz XSKNTWZNGHYQNJ-VFRFXQOFSA-N 0 0 500.592 3.966 50 0 biogenic KHAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)N(C(=O)NC(C)C)C(C)C)OC(C)(C)CC3 ZINC000008879265 553175858 /nfs/dbraw/zinc/17/58/58/553175858.db2.gz BSLKMRGZHQBGFA-UHFFFAOYSA-N 0 0 513.635 3.999 50 0 biogenic KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCN(C)C2 ZINC000008880798 553175964 /nfs/dbraw/zinc/17/59/64/553175964.db2.gz SYFPWBKJRVWVBC-MRXNPFEDSA-N 0 0 505.662 3.728 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CCN(C)C2 ZINC000008880811 553175990 /nfs/dbraw/zinc/17/59/90/553175990.db2.gz FWEXGWOGEUZDQC-MRXNPFEDSA-N 0 0 505.662 3.586 50 0 KHAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)OC)C1 ZINC000008880878 553175848 /nfs/dbraw/zinc/17/58/48/553175848.db2.gz ZWKFABUNQKQCMQ-UHFFFAOYSA-N 0 0 513.641 3.990 50 0 KHAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000008880907 553175919 /nfs/dbraw/zinc/17/59/19/553175919.db2.gz ZXRNUIAGMMBKFI-CALCHBBNSA-N 0 0 519.689 3.832 50 0 KHAARN CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000008881247 553175913 /nfs/dbraw/zinc/17/59/13/553175913.db2.gz UXWBQXKIOMCNSQ-UHFFFAOYSA-N 0 0 512.657 3.693 50 0 KHAARN CCN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000008892109 553176190 /nfs/dbraw/zinc/17/61/90/553176190.db2.gz GVTGSVYSLOYASZ-OYRHEFFESA-N 0 0 512.676 3.668 50 0 KHAARN CCN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000008892110 553176181 /nfs/dbraw/zinc/17/61/81/553176181.db2.gz GVTGSVYSLOYASZ-SFTDATJTSA-N 0 0 512.676 3.668 50 0 KHAARN CCN1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000008892111 553176105 /nfs/dbraw/zinc/17/61/05/553176105.db2.gz GVTGSVYSLOYASZ-NHCUHLMSSA-N 0 0 512.676 3.668 50 0 KHAARN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000008897391 553179728 /nfs/dbraw/zinc/17/97/28/553179728.db2.gz NXZIODCQDCFRER-UHFFFAOYSA-N 0 0 505.438 3.561 50 0 KHAARN COc1ccc(Br)cc1CNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000008911618 553184058 /nfs/dbraw/zinc/18/40/58/553184058.db2.gz KICWFXFCYAXFLJ-UHFFFAOYSA-N 0 0 507.406 3.961 50 0 KHAARN CCOc1cc2sc(N3CCC(C(=O)NCCCN4CCCC4=O)CC3)nc2cc1Br ZINC000008911680 553184089 /nfs/dbraw/zinc/18/40/89/553184089.db2.gz DXNFKGBXTRQAHM-UHFFFAOYSA-N 0 0 509.470 3.803 50 0 KHAARN CCOC(=O)c1c(C)c([C@@](C)(O)OCC)sc1NC(=O)c1nc(SC)ncc1Br ZINC000008915228 553186100 /nfs/dbraw/zinc/18/61/00/553186100.db2.gz KYBDJCLCZGGQFC-SFHVURJKSA-N 0 0 504.428 3.961 50 0 KHAARN CCOC(=O)c1c(C)c([C@](C)(O)OCC)sc1NC(=O)c1nc(SC)ncc1Br ZINC000008915229 553186326 /nfs/dbraw/zinc/18/63/26/553186326.db2.gz KYBDJCLCZGGQFC-GOSISDBHSA-N 0 0 504.428 3.961 50 0 KHAARN CCSc1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000008917472 553187196 /nfs/dbraw/zinc/18/71/96/553187196.db2.gz SXULTOGYXWZLJL-CQSZACIVSA-N 0 0 504.859 3.834 50 0 KHAARN CCSc1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000008917473 553187152 /nfs/dbraw/zinc/18/71/52/553187152.db2.gz SXULTOGYXWZLJL-AWEZNQCLSA-N 0 0 504.859 3.834 50 0 KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000008917782 553187185 /nfs/dbraw/zinc/18/71/85/553187185.db2.gz NAPQXLKGNVTDGM-XZIPOYHQSA-N 0 0 519.642 3.745 50 0 biogenic KHAARN Cc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000008917826 553187262 /nfs/dbraw/zinc/18/72/62/553187262.db2.gz ITSOWDXXSUTXJC-GOTSBHOMSA-N 0 0 514.667 3.712 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000008918032 553187304 /nfs/dbraw/zinc/18/73/04/553187304.db2.gz YWDYFPHFOPBXIW-JTAQYXEDSA-N 0 0 516.683 3.547 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008918033 553187370 /nfs/dbraw/zinc/18/73/70/553187370.db2.gz YWDYFPHFOPBXIW-QTEQDKRBSA-N 0 0 516.683 3.547 50 0 biogenic KHAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCCOC(C)C)C(=O)[C@]31C ZINC000008918050 553187608 /nfs/dbraw/zinc/18/76/08/553187608.db2.gz DAPVYJCXQPZKFC-NDEPHWFRSA-N 0 0 504.587 3.962 50 0 biogenic KHAARN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000008918074 553187581 /nfs/dbraw/zinc/18/75/81/553187581.db2.gz WFRDRZSNSPNXQQ-CVDCTZTESA-N 0 0 516.683 3.870 50 0 biogenic KHAARN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000008918269 553187846 /nfs/dbraw/zinc/18/78/46/553187846.db2.gz RDQSXVUPUCUPCM-AVRDEDQJSA-N 0 0 534.723 3.577 50 0 biogenic KHAARN Cc1c2ccc(OCC(=O)NCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000008918331 553187983 /nfs/dbraw/zinc/18/79/83/553187983.db2.gz ZAJTZQFGVBCTKF-FWUCURJTSA-N 0 0 532.637 3.731 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000008918407 553188305 /nfs/dbraw/zinc/18/83/05/553188305.db2.gz WTUNSILPULPANV-UGKGYDQZSA-N 0 0 532.682 3.625 50 0 biogenic KHAARN CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000008918457 553188307 /nfs/dbraw/zinc/18/83/07/553188307.db2.gz AFBOUAQQIDOSKK-ZTOMLWHTSA-N 0 0 512.647 3.955 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCCn3ccnc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008918549 553188471 /nfs/dbraw/zinc/18/84/71/553188471.db2.gz NPFCNMQOMXJFNL-CHJDUVSTSA-N 0 0 527.625 3.894 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCn3ccnc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000008918550 553188437 /nfs/dbraw/zinc/18/84/37/553188437.db2.gz NPFCNMQOMXJFNL-RCRUUEGKSA-N 0 0 527.625 3.894 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008918887 553188746 /nfs/dbraw/zinc/18/87/46/553188746.db2.gz KUIWDHMQWYCLSM-SQWSFHKJSA-N 0 0 501.377 3.700 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008920640 553189278 /nfs/dbraw/zinc/18/92/78/553189278.db2.gz CBTNIRNWXOVPCF-AQIZGWBQSA-N 0 0 517.607 3.687 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008920645 553189258 /nfs/dbraw/zinc/18/92/58/553189258.db2.gz CBTNIRNWXOVPCF-ZDGAQAAHSA-N 0 0 517.607 3.687 50 0 KHAARN CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1 ZINC000008920701 553189522 /nfs/dbraw/zinc/18/95/22/553189522.db2.gz VFFSQBGZVVYBLT-UHFFFAOYSA-N 0 0 526.684 3.953 50 0 KHAARN CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008921865 553190044 /nfs/dbraw/zinc/19/00/44/553190044.db2.gz SFOMQZRBQJQARS-GOSISDBHSA-N 0 0 500.130 3.881 50 0 KHAARN CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(I)cc2)C1=O ZINC000008921870 553190074 /nfs/dbraw/zinc/19/00/74/553190074.db2.gz SFOMQZRBQJQARS-SFHVURJKSA-N 0 0 500.130 3.881 50 0 KHAARN COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008922316 553190067 /nfs/dbraw/zinc/19/00/67/553190067.db2.gz XHVRMXBVQIAADT-UHFFFAOYSA-N 0 0 511.552 3.916 50 0 KHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC000008924052 553190806 /nfs/dbraw/zinc/19/08/06/553190806.db2.gz VDNACACBUFLZAL-JOCHJYFZSA-N 0 0 507.564 3.537 50 0 KHAARN Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 ZINC000008924054 553190858 /nfs/dbraw/zinc/19/08/58/553190858.db2.gz VDNACACBUFLZAL-QFIPXVFZSA-N 0 0 507.564 3.537 50 0 KHAARN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2)c1 ZINC000008927271 553191732 /nfs/dbraw/zinc/19/17/32/553191732.db2.gz DBFSXDCDWVZSQW-HXUWFJFHSA-N 0 0 503.507 3.702 50 0 KHAARN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000008927295 553191753 /nfs/dbraw/zinc/19/17/53/553191753.db2.gz UACMFBOCMGARIK-OAQYLSRUSA-N 0 0 507.564 3.850 50 0 KHAARN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)CC2=O)cc1 ZINC000008927299 553191748 /nfs/dbraw/zinc/19/17/48/553191748.db2.gz UACMFBOCMGARIK-NRFANRHFSA-N 0 0 507.564 3.850 50 0 KHAARN COc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)CC2=O)c1 ZINC000008927310 553191791 /nfs/dbraw/zinc/19/17/91/553191791.db2.gz FGIDNXBPLVRLTH-HXUWFJFHSA-N 0 0 523.563 3.550 50 0 KHAARN COc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)CC2=O)c1 ZINC000008927313 553191724 /nfs/dbraw/zinc/19/17/24/553191724.db2.gz FGIDNXBPLVRLTH-FQEVSTJZSA-N 0 0 523.563 3.550 50 0 KHAARN CCCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCCCC)cc3)CC2)cc1 ZINC000008935193 553193186 /nfs/dbraw/zinc/19/31/86/553193186.db2.gz WDTDJXDHMAVRAJ-UHFFFAOYSA-N 0 0 510.678 3.740 50 0 KHAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)C(=O)[C@]31C ZINC000008952625 553194351 /nfs/dbraw/zinc/19/43/51/553194351.db2.gz NOMDMUOYAWANBP-SXBQZSJRSA-N 0 0 514.504 3.936 50 0 biogenic KHAARN COCCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000008958489 553194440 /nfs/dbraw/zinc/19/44/40/553194440.db2.gz WWDUTCGONHIMMK-OTKNUSCSSA-N 0 0 517.673 3.505 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N(C)CCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000008964463 553194532 /nfs/dbraw/zinc/19/45/32/553194532.db2.gz MTDVXTJVHBINEO-QHCPKHFHSA-N 0 0 503.599 3.937 50 0 biogenic KHAARN CCn1cc(C(=O)Nc2nc(C)cs2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000008974498 553195741 /nfs/dbraw/zinc/19/57/41/553195741.db2.gz DYKVBDKWNLDXGD-UHFFFAOYSA-N 0 0 509.563 3.733 50 0 KHAARN COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(Br)c(OC)c1OC ZINC000008974913 553196100 /nfs/dbraw/zinc/19/61/00/553196100.db2.gz LWNULLKRXOUCTI-UHFFFAOYSA-N 0 0 501.380 3.740 50 0 KHAARN COc1ccc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000008984298 553196237 /nfs/dbraw/zinc/19/62/37/553196237.db2.gz BHJIPZFRLHKIQY-UHFFFAOYSA-N 0 0 501.630 3.511 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000008985936 553196641 /nfs/dbraw/zinc/19/66/41/553196641.db2.gz FWTNXAQQKWIOJX-UHFFFAOYSA-N 0 0 509.628 3.638 50 0 KHAARN CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000009003947 553198127 /nfs/dbraw/zinc/19/81/27/553198127.db2.gz QGLUYQNPTJNMNL-SFHVURJKSA-N 0 0 505.687 3.500 50 0 KHAARN COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)NCCc2ccccc2)cc1OC ZINC000009008513 553199110 /nfs/dbraw/zinc/19/91/10/553199110.db2.gz QGWGFFAWLYTNGB-DEOSSOPVSA-N 0 0 517.651 3.998 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000009008660 553199071 /nfs/dbraw/zinc/19/90/71/553199071.db2.gz HJTLMULICZMMSV-XSZPGNIMSA-N 0 0 501.608 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OCC ZINC000009008661 553198976 /nfs/dbraw/zinc/19/89/76/553198976.db2.gz HJTLMULICZMMSV-XXMKCSCWSA-N 0 0 501.608 3.689 50 0 KHAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000009009120 553199326 /nfs/dbraw/zinc/19/93/26/553199326.db2.gz RZCUZMOJMFCUBW-UHFFFAOYSA-N 0 0 516.627 3.816 50 0 KHAARN Cc1ccc(CN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@@H]43)C2=O)cc1 ZINC000009014320 553200149 /nfs/dbraw/zinc/20/01/49/553200149.db2.gz KYTREBDKEQELLN-AYWVHJORSA-N 0 0 519.561 3.768 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1cccc(C)c1)c2=O ZINC000009016196 553200794 /nfs/dbraw/zinc/20/07/94/553200794.db2.gz DIPNMXKZVPUPAI-UHFFFAOYSA-N 0 0 502.962 3.997 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1ccc(C)cc1)c2=O ZINC000009016345 553200748 /nfs/dbraw/zinc/20/07/48/553200748.db2.gz RNVJMXYZZPLIJV-UHFFFAOYSA-N 0 0 502.962 3.997 50 0 KHAARN O=C(COc1ccc(Cl)cc1)NCCn1ncc2c1ncn(Cc1cccc(C(F)(F)F)c1)c2=O ZINC000009016440 553200797 /nfs/dbraw/zinc/20/07/97/553200797.db2.gz ZICFCTUJQOCEBZ-UHFFFAOYSA-N 0 0 505.884 3.509 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1cccc(F)c1)c2=O ZINC000009016731 553200780 /nfs/dbraw/zinc/20/07/80/553200780.db2.gz ORNZPTXRKAXHDG-UHFFFAOYSA-N 0 0 506.925 3.827 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000009030829 553201606 /nfs/dbraw/zinc/20/16/06/553201606.db2.gz GPMHIUWHJRNFJF-XSZPGNIMSA-N 0 0 504.608 3.847 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000009030830 553201570 /nfs/dbraw/zinc/20/15/70/553201570.db2.gz GPMHIUWHJRNFJF-XXMKCSCWSA-N 0 0 504.608 3.847 50 0 KHAARN O=C(CNC(=O)c1ccccc1)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000009033135 553201583 /nfs/dbraw/zinc/20/15/83/553201583.db2.gz MTKQPVGPUXWWHD-AREMUKBSSA-N 0 0 531.609 3.741 50 0 biogenic KHAARN CCCCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000009033961 553201696 /nfs/dbraw/zinc/20/16/96/553201696.db2.gz SQYIAIOWZXIXEK-QTEQDKRBSA-N 0 0 512.676 3.916 50 0 biogenic KHAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000009034037 553201901 /nfs/dbraw/zinc/20/19/01/553201901.db2.gz OUBWPPQDIFMJOE-QHCPKHFHSA-N 0 0 500.551 3.967 50 0 biogenic KHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000009034065 553201926 /nfs/dbraw/zinc/20/19/26/553201926.db2.gz IUPDOQRNKSRGOL-QFIPXVFZSA-N 0 0 506.942 3.922 50 0 biogenic KHAARN COC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1C(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000009034140 553201888 /nfs/dbraw/zinc/20/18/88/553201888.db2.gz VJSOMDCMVVNHIX-DEOSSOPVSA-N 0 0 500.551 3.967 50 0 biogenic KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009046614 553203986 /nfs/dbraw/zinc/20/39/86/553203986.db2.gz BESXKPFSVUZZSR-NLZIUFDSSA-N 0 0 504.608 3.631 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009046615 553203994 /nfs/dbraw/zinc/20/39/94/553203994.db2.gz BESXKPFSVUZZSR-WLGHQHAYSA-N 0 0 504.608 3.631 50 0 KHAARN COc1cc([C@@H]2OCCn3c(-c4ccc(Cl)cc4Cl)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000009048020 553204433 /nfs/dbraw/zinc/20/44/33/553204433.db2.gz VPNAYRKXHRQODD-QFIPXVFZSA-N 0 0 502.354 3.846 50 0 KHAARN COc1cc([C@H]2OCCn3c(-c4ccc(Cl)cc4Cl)c4c(c32)n(C)c(=O)n(C)c4=O)ccc1O ZINC000009048023 553204402 /nfs/dbraw/zinc/20/44/02/553204402.db2.gz VPNAYRKXHRQODD-JOCHJYFZSA-N 0 0 502.354 3.846 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1 ZINC000009057551 553204627 /nfs/dbraw/zinc/20/46/27/553204627.db2.gz RCGFACVABGNPDS-UHFFFAOYSA-N 0 0 512.628 3.965 50 0 KHAARN CCOc1ccc(CCn2c(-c3ccc(C)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OCC ZINC000009059810 553204900 /nfs/dbraw/zinc/20/49/00/553204900.db2.gz STKPYQLREADJPE-UHFFFAOYSA-N 0 0 501.587 3.702 50 0 KHAARN CCOc1ccc(CCn2c3nc4c(c(=O)n(C)c(=O)n4C)n3c(C)c2-c2ccccc2)cc1OCC ZINC000009060370 553204888 /nfs/dbraw/zinc/20/48/88/553204888.db2.gz XTVCPKMXBIPGRA-UHFFFAOYSA-N 0 0 501.587 3.702 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000009070176 553206809 /nfs/dbraw/zinc/20/68/09/553206809.db2.gz ICQRHWZTRCOZOC-WXQNSDNISA-N 0 0 513.619 3.590 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC(=O)OC)cc1 ZINC000009076829 553207979 /nfs/dbraw/zinc/20/79/79/553207979.db2.gz RDYILDFSMHPGIV-IZHYLOQSSA-N 0 0 503.646 3.736 50 0 KHAARN CCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000009082928 553208101 /nfs/dbraw/zinc/20/81/01/553208101.db2.gz RYLYJEYDJJDSPL-UHFFFAOYSA-N 0 0 503.534 3.672 50 0 KHAARN CCn1cc(C(=O)Nc2ccc(C)cn2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000009082930 553208159 /nfs/dbraw/zinc/20/81/59/553208159.db2.gz JGQXYHPXLRDPPJ-UHFFFAOYSA-N 0 0 503.534 3.672 50 0 KHAARN 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/nfs/dbraw/zinc/21/41/31/553214131.db2.gz FIZHKBBGYUFEAC-SFHVURJKSA-N 0 0 511.644 3.812 50 0 KHAARN CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 ZINC000009152217 553214157 /nfs/dbraw/zinc/21/41/57/553214157.db2.gz FIZHKBBGYUFEAC-GOSISDBHSA-N 0 0 511.644 3.812 50 0 KHAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)ccc2N1C(=O)C1CC1 ZINC000009152226 553214319 /nfs/dbraw/zinc/21/43/19/553214319.db2.gz QBTYLGGOJHBBQP-OAHLLOKOSA-N 0 0 503.571 3.692 50 0 KHAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)ccc2N1C(=O)C1CC1 ZINC000009152227 553214320 /nfs/dbraw/zinc/21/43/20/553214320.db2.gz QBTYLGGOJHBBQP-HNNXBMFYSA-N 0 0 503.571 3.692 50 0 KHAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)ccc2N1C(=O)C1CC1 ZINC000009152230 553214338 /nfs/dbraw/zinc/21/43/38/553214338.db2.gz NVMUVAPCQARWQS-GOSISDBHSA-N 0 0 530.090 3.787 50 0 KHAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)ccc2N1C(=O)C1CC1 ZINC000009152231 553214325 /nfs/dbraw/zinc/21/43/25/553214325.db2.gz NVMUVAPCQARWQS-SFHVURJKSA-N 0 0 530.090 3.787 50 0 KHAARN Cc1ccsc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)CC1 ZINC000009152236 553214332 /nfs/dbraw/zinc/21/43/32/553214332.db2.gz LAVBIJZDLFFRKG-SFHVURJKSA-N 0 0 515.701 3.504 50 0 KHAARN Cc1ccsc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)CC1 ZINC000009152237 553214312 /nfs/dbraw/zinc/21/43/12/553214312.db2.gz LAVBIJZDLFFRKG-GOSISDBHSA-N 0 0 515.701 3.504 50 0 KHAARN O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000009152301 553214335 /nfs/dbraw/zinc/21/43/35/553214335.db2.gz ZQYKILSLZCCMHQ-UHFFFAOYSA-N 0 0 509.813 3.639 50 0 KHAARN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000009152303 553214309 /nfs/dbraw/zinc/21/43/09/553214309.db2.gz WVQULJDBYGSVTE-UHFFFAOYSA-N 0 0 508.170 3.793 50 0 KHAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Br)C1 ZINC000009152380 553214456 /nfs/dbraw/zinc/21/44/56/553214456.db2.gz GBGGHUKDOVTPEX-SFHVURJKSA-N 0 0 510.454 3.557 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccccc4F)CC2)c2ccccc23)cc1 ZINC000009152433 553214506 /nfs/dbraw/zinc/21/45/06/553214506.db2.gz XINZAPHBXBIQNT-UHFFFAOYSA-N 0 0 502.575 3.884 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccc(F)cc4)CC2)c2ccccc23)cc1 ZINC000009152443 553214509 /nfs/dbraw/zinc/21/45/09/553214509.db2.gz AOQXMIIUULBWQM-UHFFFAOYSA-N 0 0 502.575 3.884 50 0 KHAARN COc1ccccc1N1CCN(c2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc32)CC1 ZINC000009152454 553214427 /nfs/dbraw/zinc/21/44/27/553214427.db2.gz GALDBWQBGHTVTG-UHFFFAOYSA-N 0 0 514.611 3.754 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)nc5ccccc54)CC3)cc2C[C@H]1C ZINC000009153337 553214635 /nfs/dbraw/zinc/21/46/35/553214635.db2.gz NVUTVLXOLNBHBG-GOSISDBHSA-N 0 0 506.628 3.880 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccc(C)c(C)c1 ZINC000009159210 1066537282 /nfs/dbraw/zinc/53/72/82/1066537282.db2.gz WKKDEWVSVFPAKC-OAQYLSRUSA-N 0 0 514.582 3.671 50 0 KHAARN COc1cccc2cc(-c3nnc(NC(=O)C4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)o3)oc21 ZINC000009167838 553215950 /nfs/dbraw/zinc/21/59/50/553215950.db2.gz LCRPZRGPTQQSNP-UHFFFAOYSA-N 0 0 500.508 3.670 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000009183467 553216879 /nfs/dbraw/zinc/21/68/79/553216879.db2.gz MRPOTHXTANKAHP-GZAQXOQPSA-N 0 0 527.646 3.980 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](/C=C/c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000009183468 553216824 /nfs/dbraw/zinc/21/68/24/553216824.db2.gz MRPOTHXTANKAHP-KQWXLAGMSA-N 0 0 527.646 3.980 50 0 KHAARN CC1(C)Cc2c(sc3nc(N4CCN(C(=O)c5ccco5)CC4)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000009184428 553216863 /nfs/dbraw/zinc/21/68/63/553216863.db2.gz LOVSPJGKONEUPN-UHFFFAOYSA-N 0 0 504.612 3.913 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCn2ccnc2)cc1 ZINC000009184791 553216830 /nfs/dbraw/zinc/21/68/30/553216830.db2.gz IZKHFJVPLPFNMB-UHFFFAOYSA-N 0 0 502.643 3.816 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1cccc(C)c1 ZINC000009185202 1066537430 /nfs/dbraw/zinc/53/74/30/1066537430.db2.gz YCBKIITYWAVIRY-UHFFFAOYSA-N 0 0 502.571 3.691 50 0 KHAARN Cc1ccc(Nc2nc(Oc3ccc(OCCOc4ccccc4)nn3)nc(N3CCOCC3)n2)cc1 ZINC000009185265 553217184 /nfs/dbraw/zinc/21/71/84/553217184.db2.gz HQJJIEQKJJGHAD-UHFFFAOYSA-N 0 0 501.547 3.800 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1cccc(Cl)c1 ZINC000009185271 1066537340 /nfs/dbraw/zinc/53/73/40/1066537340.db2.gz SMDQUVDKHQXGLX-LJQANCHMSA-N 0 0 520.973 3.708 50 0 KHAARN CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cc(OC)cc(OC)c1 ZINC000009185490 1066537358 /nfs/dbraw/zinc/53/73/58/1066537358.db2.gz RSXKXLNUTIFUPS-UHFFFAOYSA-N 0 0 518.570 3.693 50 0 KHAARN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000009185603 553217233 /nfs/dbraw/zinc/21/72/33/553217233.db2.gz IIPXIDATKIXOBE-RQXXJAGISA-N 0 0 504.743 3.673 50 0 KHAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Br)c(C)c4)n3N)n[nH]2)cc1 ZINC000009187146 553217852 /nfs/dbraw/zinc/21/78/52/553217852.db2.gz AIZQKWFEAJBVNR-UHFFFAOYSA-N 0 0 514.409 3.859 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)/C=C/c1ccccc1 ZINC000009191719 1066537426 /nfs/dbraw/zinc/53/74/26/1066537426.db2.gz LVNYHLIUCOYDDQ-NMXFEATKSA-N 0 0 514.582 3.782 50 0 KHAARN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccc(C)cc1 ZINC000009191725 1066537347 /nfs/dbraw/zinc/53/73/47/1066537347.db2.gz SMWHUEPJLQABDC-UHFFFAOYSA-N 0 0 502.571 3.610 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccccc1 ZINC000009191899 1066537746 /nfs/dbraw/zinc/53/77/46/1066537746.db2.gz YSDMFAUILWSZLL-UHFFFAOYSA-N 0 0 502.571 3.691 50 0 KHAARN CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000009191985 1066537853 /nfs/dbraw/zinc/53/78/53/1066537853.db2.gz ROTMYRVQKZHTOY-UHFFFAOYSA-N 0 0 503.515 3.502 50 0 KHAARN CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000009192074 1066537753 /nfs/dbraw/zinc/53/77/53/1066537753.db2.gz MEJUEKZPRBSAKP-UHFFFAOYSA-N 0 0 517.542 3.892 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1ccccc1Cl ZINC000009192378 1066537842 /nfs/dbraw/zinc/53/78/42/1066537842.db2.gz KNWLKQZSGXWSML-QGZVFWFLSA-N 0 0 520.973 3.708 50 0 KHAARN COC(=O)/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C1=C(N=2)/C(=C/c2ccc(OC)cc2)CCC1 ZINC000009192400 553218754 /nfs/dbraw/zinc/21/87/54/553218754.db2.gz BRAGDTPDFONICZ-XCJSEXNGSA-N 0 0 502.592 3.625 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000009193431 553219202 /nfs/dbraw/zinc/21/92/02/553219202.db2.gz KSGQPXYAPQVMHE-VWLOTQADSA-N 0 0 516.602 3.935 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000009193434 553219166 /nfs/dbraw/zinc/21/91/66/553219166.db2.gz KSGQPXYAPQVMHE-RUZDIDTESA-N 0 0 516.602 3.935 50 0 KHAARN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1 ZINC000009193439 553219132 /nfs/dbraw/zinc/21/91/32/553219132.db2.gz FAKVLWMVZBEPOZ-DEOSSOPVSA-N 0 0 502.575 3.632 50 0 KHAARN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1 ZINC000009193443 553219188 /nfs/dbraw/zinc/21/91/88/553219188.db2.gz FAKVLWMVZBEPOZ-XMMPIXPASA-N 0 0 502.575 3.632 50 0 KHAARN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1 ZINC000009193459 553219174 /nfs/dbraw/zinc/21/91/74/553219174.db2.gz LNBVQAGGTZRXRR-VWLOTQADSA-N 0 0 514.586 3.749 50 0 KHAARN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)cc1 ZINC000009193464 553219162 /nfs/dbraw/zinc/21/91/62/553219162.db2.gz LNBVQAGGTZRXRR-RUZDIDTESA-N 0 0 514.586 3.749 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1 ZINC000009193560 553219213 /nfs/dbraw/zinc/21/92/13/553219213.db2.gz JGCIJPXQZPRVCQ-HOFKKMOUSA-N 0 0 517.561 3.649 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1 ZINC000009193570 553219172 /nfs/dbraw/zinc/21/91/72/553219172.db2.gz JGCIJPXQZPRVCQ-WNCULLNHSA-N 0 0 517.561 3.649 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1 ZINC000009193580 553219183 /nfs/dbraw/zinc/21/91/83/553219183.db2.gz JGCIJPXQZPRVCQ-KCWPFWIISA-N 0 0 517.561 3.649 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1 ZINC000009193588 553219193 /nfs/dbraw/zinc/21/91/93/553219193.db2.gz WACPMRJGFHMRHO-YWEHKCAJSA-N 0 0 529.597 3.518 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000009193678 553219265 /nfs/dbraw/zinc/21/92/65/553219265.db2.gz DAUHZEHAZNXDMN-CUNXSJBXSA-N 0 0 517.655 3.909 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1 ZINC000009193684 553219251 /nfs/dbraw/zinc/21/92/51/553219251.db2.gz DAUHZEHAZNXDMN-WXVAWEFUSA-N 0 0 517.655 3.909 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000009193693 553219285 /nfs/dbraw/zinc/21/92/85/553219285.db2.gz DAUHZEHAZNXDMN-AMGIVPHBSA-N 0 0 517.655 3.909 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1 ZINC000009193699 553219270 /nfs/dbraw/zinc/21/92/70/553219270.db2.gz DAUHZEHAZNXDMN-AJTFRIOCSA-N 0 0 517.655 3.909 50 0 KHAARN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000009193705 553219281 /nfs/dbraw/zinc/21/92/81/553219281.db2.gz RQEQWFBTWHXFPJ-CUBQBAPOSA-N 0 0 515.589 3.944 50 0 KHAARN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000009193714 553219294 /nfs/dbraw/zinc/21/92/94/553219294.db2.gz RQEQWFBTWHXFPJ-RBJSKKJNSA-N 0 0 515.589 3.944 50 0 KHAARN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000009193718 553219290 /nfs/dbraw/zinc/21/92/90/553219290.db2.gz RQEQWFBTWHXFPJ-YWEHKCAJSA-N 0 0 515.589 3.944 50 0 KHAARN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000009193723 553219261 /nfs/dbraw/zinc/21/92/61/553219261.db2.gz RQEQWFBTWHXFPJ-UFHPHHKVSA-N 0 0 515.589 3.944 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193728 553219271 /nfs/dbraw/zinc/21/92/71/553219271.db2.gz PXQIDSRTHJQORV-SVEHJYQDSA-N 0 0 527.625 3.548 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193732 553219247 /nfs/dbraw/zinc/21/92/47/553219247.db2.gz PXQIDSRTHJQORV-ABYGYWHVSA-N 0 0 527.625 3.548 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193737 553219291 /nfs/dbraw/zinc/21/92/91/553219291.db2.gz PXQIDSRTHJQORV-IRPSRAIASA-N 0 0 527.625 3.548 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193741 553219242 /nfs/dbraw/zinc/21/92/42/553219242.db2.gz PXQIDSRTHJQORV-VAVYLYDRSA-N 0 0 527.625 3.548 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000009193745 553219255 /nfs/dbraw/zinc/21/92/55/553219255.db2.gz ZWHNMPYSIWIFIW-HOFKKMOUSA-N 0 0 517.561 3.649 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000009193748 553219283 /nfs/dbraw/zinc/21/92/83/553219283.db2.gz ZWHNMPYSIWIFIW-WNCULLNHSA-N 0 0 517.561 3.649 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000009193753 553219259 /nfs/dbraw/zinc/21/92/59/553219259.db2.gz ZWHNMPYSIWIFIW-KCWPFWIISA-N 0 0 517.561 3.649 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc1 ZINC000009193757 553219249 /nfs/dbraw/zinc/21/92/49/553219249.db2.gz ZWHNMPYSIWIFIW-YIXXDRMTSA-N 0 0 517.561 3.649 50 0 KHAARN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193761 553219262 /nfs/dbraw/zinc/21/92/62/553219262.db2.gz ZBQOYXHYMLRYTO-SVEHJYQDSA-N 0 0 511.626 3.848 50 0 KHAARN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193766 553219257 /nfs/dbraw/zinc/21/92/57/553219257.db2.gz ZBQOYXHYMLRYTO-ABYGYWHVSA-N 0 0 511.626 3.848 50 0 KHAARN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193770 553219279 /nfs/dbraw/zinc/21/92/79/553219279.db2.gz ZBQOYXHYMLRYTO-IRPSRAIASA-N 0 0 511.626 3.848 50 0 KHAARN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193775 553219244 /nfs/dbraw/zinc/21/92/44/553219244.db2.gz ZBQOYXHYMLRYTO-VAVYLYDRSA-N 0 0 511.626 3.848 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000009193801 553219287 /nfs/dbraw/zinc/21/92/87/553219287.db2.gz MBARMTRSKRMBDN-SVEHJYQDSA-N 0 0 529.616 3.987 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000009193803 553219568 /nfs/dbraw/zinc/21/95/68/553219568.db2.gz MBARMTRSKRMBDN-ABYGYWHVSA-N 0 0 529.616 3.987 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000009193807 553219553 /nfs/dbraw/zinc/21/95/53/553219553.db2.gz MBARMTRSKRMBDN-IRPSRAIASA-N 0 0 529.616 3.987 50 0 KHAARN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1 ZINC000009193812 553219574 /nfs/dbraw/zinc/21/95/74/553219574.db2.gz MBARMTRSKRMBDN-VAVYLYDRSA-N 0 0 529.616 3.987 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000009193829 553219571 /nfs/dbraw/zinc/21/95/71/553219571.db2.gz UBRPSXKJXKOMSU-CPJSRVTESA-N 0 0 507.591 3.697 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000009193832 553219585 /nfs/dbraw/zinc/21/95/85/553219585.db2.gz UBRPSXKJXKOMSU-NBGIEHNGSA-N 0 0 507.591 3.697 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000009193837 553219550 /nfs/dbraw/zinc/21/95/50/553219550.db2.gz UBRPSXKJXKOMSU-NLFFAJNJSA-N 0 0 507.591 3.697 50 0 KHAARN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000009193841 553219521 /nfs/dbraw/zinc/21/95/21/553219521.db2.gz UBRPSXKJXKOMSU-CJFMBICVSA-N 0 0 507.591 3.697 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193845 553219528 /nfs/dbraw/zinc/21/95/28/553219528.db2.gz XLCQCFRDJTULGG-SVEHJYQDSA-N 0 0 527.625 3.814 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193851 553219562 /nfs/dbraw/zinc/21/95/62/553219562.db2.gz XLCQCFRDJTULGG-ABYGYWHVSA-N 0 0 527.625 3.814 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193856 553219601 /nfs/dbraw/zinc/21/96/01/553219601.db2.gz XLCQCFRDJTULGG-IRPSRAIASA-N 0 0 527.625 3.814 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(C)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000009193861 553219543 /nfs/dbraw/zinc/21/95/43/553219543.db2.gz XLCQCFRDJTULGG-VAVYLYDRSA-N 0 0 527.625 3.814 50 0 KHAARN COc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4Cl)CC2)[nH]c3=O)cc1OC ZINC000009195396 553219594 /nfs/dbraw/zinc/21/95/94/553219594.db2.gz YWIOWKOYZQNLBG-UHFFFAOYSA-N 0 0 508.966 3.666 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000009195452 553219669 /nfs/dbraw/zinc/21/96/69/553219669.db2.gz OYAMGYLEPYSMCT-UHFFFAOYSA-N 0 0 500.584 3.697 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000009195599 553219618 /nfs/dbraw/zinc/21/96/18/553219618.db2.gz HJBZUDGLVPTBGM-UHFFFAOYSA-N 0 0 518.574 3.836 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000009195605 553219685 /nfs/dbraw/zinc/21/96/85/553219685.db2.gz OITSRFUUBRJTQH-UHFFFAOYSA-N 0 0 518.574 3.836 50 0 KHAARN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000009195611 553219649 /nfs/dbraw/zinc/21/96/49/553219649.db2.gz NRIZZCODMRJCLS-NRFANRHFSA-N 0 0 500.584 3.697 50 0 KHAARN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc2ccccc2c1 ZINC000009195619 553219722 /nfs/dbraw/zinc/21/97/22/553219722.db2.gz NRIZZCODMRJCLS-OAQYLSRUSA-N 0 0 500.584 3.697 50 0 KHAARN CCCCC12CN(S(=O)(=O)c3ccc(C)cc3)CC(C)(CN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O ZINC000009201130 553219918 /nfs/dbraw/zinc/21/99/18/553219918.db2.gz QMARSUYWWQIWLP-UHFFFAOYSA-N 0 0 518.701 3.764 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(O)CC3)s2)cc1 ZINC000009203387 553220047 /nfs/dbraw/zinc/22/00/47/553220047.db2.gz LFBPKWOPHQBAQF-UHFFFAOYSA-N 0 0 513.062 3.732 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)s2)cc1 ZINC000009203398 553220050 /nfs/dbraw/zinc/22/00/50/553220050.db2.gz WEHBDQFMLSQWEI-UHFFFAOYSA-N 0 0 512.078 3.522 50 0 KHAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000009203471 553220258 /nfs/dbraw/zinc/22/02/58/553220258.db2.gz IAVXQLGUVUMKDG-FQEVSTJZSA-N 0 0 525.048 3.781 50 0 KHAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000009203479 553220249 /nfs/dbraw/zinc/22/02/49/553220249.db2.gz IAVXQLGUVUMKDG-HXUWFJFHSA-N 0 0 525.048 3.781 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(F)cc1 ZINC000009209524 1066537838 /nfs/dbraw/zinc/53/78/38/1066537838.db2.gz JFXBCTGYKDNGKT-UHFFFAOYSA-N 0 0 520.561 3.830 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=NC(=O)c1ccc(C)c(C)c1 ZINC000009209537 1066537817 /nfs/dbraw/zinc/53/78/17/1066537817.db2.gz DOZJPAPEYXAEGY-UHFFFAOYSA-N 0 0 502.571 3.529 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1cccc(F)c1 ZINC000009209758 1066537873 /nfs/dbraw/zinc/53/78/73/1066537873.db2.gz AZHHVDPXFMUFTB-UHFFFAOYSA-N 0 0 520.561 3.830 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(Cl)cc1 ZINC000009209773 1066537861 /nfs/dbraw/zinc/53/78/61/1066537861.db2.gz RSBRTRFHHOCHJV-IBGZPJMESA-N 0 0 520.973 3.708 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccccc1F ZINC000009210193 1066537930 /nfs/dbraw/zinc/53/79/30/1066537930.db2.gz KZNXYDIWQAPEHW-UHFFFAOYSA-N 0 0 520.561 3.830 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(C)cc1 ZINC000009210210 1066537914 /nfs/dbraw/zinc/53/79/14/1066537914.db2.gz KONIHWGRUPSVAE-UHFFFAOYSA-N 0 0 502.571 3.691 50 0 KHAARN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cccc(C)c1 ZINC000009210260 1066537893 /nfs/dbraw/zinc/53/78/93/1066537893.db2.gz QOWYATVTCKXZRB-UHFFFAOYSA-N 0 0 502.571 3.610 50 0 KHAARN Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000009210318 553220608 /nfs/dbraw/zinc/22/06/08/553220608.db2.gz BRWDXTRRPQOMEC-UHFFFAOYSA-N 0 0 511.611 3.917 50 0 KHAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2Cl)c1=O)CCCN3c1ccc(Br)cc1 ZINC000009210859 553220926 /nfs/dbraw/zinc/22/09/26/553220926.db2.gz DUXFTXDBWDWRII-UHFFFAOYSA-N 0 0 500.784 3.903 50 0 KHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1Cl ZINC000009211668 553221294 /nfs/dbraw/zinc/22/12/94/553221294.db2.gz NOMFSYDLJXXCMB-OAHLLOKOSA-N 0 0 506.024 3.686 50 0 KHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc1Cl ZINC000009211669 553221289 /nfs/dbraw/zinc/22/12/89/553221289.db2.gz NOMFSYDLJXXCMB-HNNXBMFYSA-N 0 0 506.024 3.686 50 0 KHAARN COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C2)c1 ZINC000009211688 553221292 /nfs/dbraw/zinc/22/12/92/553221292.db2.gz LOHSRZJLDBGVLT-OAQYLSRUSA-N 0 0 501.562 3.979 50 0 KHAARN COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3cnn(-c4ccc(F)cc4)c3-n3cccc3)C2)c1 ZINC000009211689 553221326 /nfs/dbraw/zinc/22/13/26/553221326.db2.gz LOHSRZJLDBGVLT-NRFANRHFSA-N 0 0 501.562 3.979 50 0 KHAARN CCOC(=O)C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)=C(C)O ZINC000009215585 553221330 /nfs/dbraw/zinc/22/13/30/553221330.db2.gz VTTIAUANOSASCO-SFHVURJKSA-N 0 0 516.645 3.540 50 0 KHAARN COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)NCCc2ccccc2)cc1OC ZINC000009215908 553221520 /nfs/dbraw/zinc/22/15/20/553221520.db2.gz QGWGFFAWLYTNGB-XMMPIXPASA-N 0 0 517.651 3.998 50 0 KHAARN COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(C=O)CC2)c1 ZINC000009225233 553221909 /nfs/dbraw/zinc/22/19/09/553221909.db2.gz CXSYBXDDFZSUTE-LJAQVGFWSA-N 0 0 508.578 3.689 50 0 KHAARN COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(C=O)CC2)c1 ZINC000009225234 553221930 /nfs/dbraw/zinc/22/19/30/553221930.db2.gz CXSYBXDDFZSUTE-GDLZYMKVSA-N 0 0 508.578 3.689 50 0 KHAARN O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000009226861 553222259 /nfs/dbraw/zinc/22/22/59/553222259.db2.gz SMZIURCDQMKVMB-UHFFFAOYSA-N 0 0 500.993 3.661 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000009226867 553222257 /nfs/dbraw/zinc/22/22/57/553222257.db2.gz UGKGRMLKDPEGDH-UHFFFAOYSA-N 0 0 515.657 3.790 50 0 KHAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000009226903 553222236 /nfs/dbraw/zinc/22/22/36/553222236.db2.gz WWRNCHIISTXWHA-UHFFFAOYSA-N 0 0 527.668 3.934 50 0 KHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000009226907 553222252 /nfs/dbraw/zinc/22/22/52/553222252.db2.gz GDDDCBNANGHVSD-IBGZPJMESA-N 0 0 507.678 3.923 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 ZINC000009226916 553222231 /nfs/dbraw/zinc/22/22/31/553222231.db2.gz RDDYRZXGKDVWAH-CYBMUJFWSA-N 0 0 518.020 3.923 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 ZINC000009226918 553222221 /nfs/dbraw/zinc/22/22/21/553222221.db2.gz RDDYRZXGKDVWAH-ZDUSSCGKSA-N 0 0 518.020 3.923 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cnn2C(C)(C)C)CC1 ZINC000009227796 553222385 /nfs/dbraw/zinc/22/23/85/553222385.db2.gz ZFESEAWTBKWMBN-UHFFFAOYSA-N 0 0 513.639 3.944 50 0 KHAARN O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000009231932 553223222 /nfs/dbraw/zinc/22/32/22/553223222.db2.gz OPPSSBVZEBQTIS-GOSISDBHSA-N 0 0 521.957 3.756 50 0 KHAARN O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1)Nc1cccc(Cl)c1 ZINC000009231933 553223255 /nfs/dbraw/zinc/22/32/55/553223255.db2.gz OPPSSBVZEBQTIS-SFHVURJKSA-N 0 0 521.957 3.756 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000009233206 553224196 /nfs/dbraw/zinc/22/41/96/553224196.db2.gz OEVIHLWWKDDWTJ-PXLXIMEGSA-N 0 0 509.584 3.762 50 0 KHAARN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)C1=O ZINC000009233212 553224235 /nfs/dbraw/zinc/22/42/35/553224235.db2.gz QDEWOPWWYXXCOI-LSFURLLWSA-N 0 0 521.551 3.997 50 0 KHAARN COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009233608 553224554 /nfs/dbraw/zinc/22/45/54/553224554.db2.gz WYTMSLGWTKPGMU-RDQAEZFGSA-N 0 0 514.003 3.545 50 0 KHAARN COC(=O)c1cc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1Cl ZINC000009235113 553225218 /nfs/dbraw/zinc/22/52/18/553225218.db2.gz FMWRUHXUQWUPBT-UHFFFAOYSA-N 0 0 514.995 3.623 50 0 KHAARN CCn1c(=O)n(CC)c2cc(NC(=O)CSc3n[nH]c(-c4cc(Br)ccc4O)n3)ccc21 ZINC000009235768 553225341 /nfs/dbraw/zinc/22/53/41/553225341.db2.gz DHBQULRYKBPRSX-UHFFFAOYSA-N 0 0 517.409 3.827 50 0 KHAARN O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1nnc(-c2ccccc2)s1 ZINC000009235894 553225683 /nfs/dbraw/zinc/22/56/83/553225683.db2.gz QJUWYPRTGUQRNZ-UHFFFAOYSA-N 0 0 506.617 3.701 50 0 KHAARN COc1cc(CCC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ccccc3OC)CC2)on1 ZINC000009251246 553227827 /nfs/dbraw/zinc/22/78/27/553227827.db2.gz LRNUUJUURAIZHJ-UHFFFAOYSA-N 0 0 504.543 3.972 50 0 KHAARN COc1cc(CCC(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3cccc(OC)c3)CC2)on1 ZINC000009251266 553227824 /nfs/dbraw/zinc/22/78/24/553227824.db2.gz VFFGBOSBVUTZEI-UHFFFAOYSA-N 0 0 504.543 3.972 50 0 KHAARN CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 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CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1O[C@@H](C)CC ZINC000009295486 553235434 /nfs/dbraw/zinc/23/54/34/553235434.db2.gz UWFSNAUTVYUILG-SUGMNDHBSA-N 0 0 506.624 3.984 50 0 KHAARN CCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000009299063 553235975 /nfs/dbraw/zinc/23/59/75/553235975.db2.gz UMMVURRIDJCRAN-CGZGMLGNSA-N 0 0 503.646 3.660 50 0 KHAARN CCSC1=NC2(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)N=C1c1ccc(OC)cc1 ZINC000009300179 553236025 /nfs/dbraw/zinc/23/60/25/553236025.db2.gz PYVMNCAIGZRQGW-UHFFFAOYSA-N 0 0 503.646 3.848 50 0 KHAARN CCSC1=NC2(CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)N=C1c1ccc(OC)cc1 ZINC000009300189 553235984 /nfs/dbraw/zinc/23/59/84/553235984.db2.gz MDPZAQYWUAQLSI-UHFFFAOYSA-N 0 0 503.646 3.848 50 0 KHAARN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1c(F)cccc1F ZINC000009304249 1066497390 /nfs/dbraw/zinc/49/73/90/1066497390.db2.gz QFCBMMRGWZCVAN-UHFFFAOYSA-N 0 0 524.524 3.580 50 0 KHAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009309293 553238244 /nfs/dbraw/zinc/23/82/44/553238244.db2.gz CUGHCZLRUCEQHG-UHFFFAOYSA-N 0 0 503.584 3.993 50 0 KHAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccccc2)cc1 ZINC000009309532 553238323 /nfs/dbraw/zinc/23/83/23/553238323.db2.gz QJWSYVFXTLBKOI-UHFFFAOYSA-N 0 0 509.613 3.711 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCCCN2CCCC2=O)c2cc(Cl)ccc23)cc1C ZINC000009319238 553241359 /nfs/dbraw/zinc/24/13/59/553241359.db2.gz APBGGONBJJRNTO-UHFFFAOYSA-N 0 0 513.023 3.805 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC4(CC2)OCCO4)c2cc(Cl)ccc23)cc1C ZINC000009319282 553241393 /nfs/dbraw/zinc/24/13/93/553241393.db2.gz OTQLIVUSEYEKBO-UHFFFAOYSA-N 0 0 514.007 3.724 50 0 KHAARN CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCCN2CCCC2=O)c2cc(Cl)ccc23)cc1 ZINC000009319323 553241386 /nfs/dbraw/zinc/24/13/86/553241386.db2.gz SBUXBCAZUNKNCS-UHFFFAOYSA-N 0 0 513.023 3.751 50 0 KHAARN COC(=O)c1ccc(OC)c(CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1 ZINC000009319408 553241596 /nfs/dbraw/zinc/24/15/96/553241596.db2.gz PGRPWGXFVMLYSZ-UHFFFAOYSA-N 0 0 512.540 3.835 50 0 KHAARN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)Nc3ccc(N(C)C)cc3)ccc1OCC)[nH]c2=O ZINC000009327481 553241725 /nfs/dbraw/zinc/24/17/25/553241725.db2.gz YDMZLVVDSLRXHI-UHFFFAOYSA-N 0 0 510.620 3.542 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN32)cc1 ZINC000009330996 553242692 /nfs/dbraw/zinc/24/26/92/553242692.db2.gz DCFWAMGZLJAOTM-XDZXDJIYSA-N 0 0 523.545 3.775 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000009331002 553242717 /nfs/dbraw/zinc/24/27/17/553242717.db2.gz DCFWAMGZLJAOTM-CWTOASCOSA-N 0 0 523.545 3.775 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009334938 553243310 /nfs/dbraw/zinc/24/33/10/553243310.db2.gz UTVNFCOMKFSHRF-XPCGLTFESA-N 0 0 506.624 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CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1cccc(OC)c1 ZINC000009345180 1066537790 /nfs/dbraw/zinc/53/77/90/1066537790.db2.gz VCLVLMFKELJAPC-UHFFFAOYSA-N 0 0 512.522 3.525 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=NC(=O)c1ccc(OC)cc1 ZINC000009345297 1066537830 /nfs/dbraw/zinc/53/78/30/1066537830.db2.gz OEKOBTNBJHVWQF-UHFFFAOYSA-N 0 0 512.522 3.525 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000009345407 1066538184 /nfs/dbraw/zinc/53/81/84/1066538184.db2.gz MALWJNLHQCLSAX-KCCDNHCJSA-N 0 0 520.973 3.575 50 0 KHAARN CCCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cc(OC)cc(OC)c1 ZINC000009345679 1066538194 /nfs/dbraw/zinc/53/81/94/1066538194.db2.gz FPBZGMVYMIHYGQ-UHFFFAOYSA-N 0 0 518.570 3.774 50 0 KHAARN CCCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000009345687 1066538206 /nfs/dbraw/zinc/53/82/06/1066538206.db2.gz CXFLVPQFLUUIJJ-UHFFFAOYSA-N 0 0 517.542 3.974 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=N)n(Cc3ccco3)c2=O)CC(C)(C)OC4)cc1 ZINC000009346161 553244241 /nfs/dbraw/zinc/24/42/41/553244241.db2.gz FONUAWUFTQBJKH-UHFFFAOYSA-N 0 0 508.600 3.874 50 0 KHAARN COc1ccc(Br)cc1-c1nc2c([nH]c(=O)n2-c2ccc(Cl)c(Cl)c2)c(C(N)=O)n1 ZINC000009346563 553244381 /nfs/dbraw/zinc/24/43/81/553244381.db2.gz OFZBAKKXVZXDKQ-UHFFFAOYSA-N 0 0 509.147 3.953 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2C(N)=O)C1 ZINC000009347523 553244355 /nfs/dbraw/zinc/24/43/55/553244355.db2.gz DAAIKKZBIVZKPV-UHFFFAOYSA-N 0 0 505.593 3.810 50 0 KHAARN COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000009348189 553244622 /nfs/dbraw/zinc/24/46/22/553244622.db2.gz QWTBSIKDZWICLR-UHFFFAOYSA-N 0 0 507.568 3.899 50 0 KHAARN CCOC(=O)[C@](NC(=O)N(C1=NC[C@H](C)S1)c1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F ZINC000009353348 553245358 /nfs/dbraw/zinc/24/53/58/553245358.db2.gz BYCCAQUCHNPCLX-GTNSWQLSSA-N 0 0 502.437 3.798 50 0 KHAARN CCOC(=O)[C@@](NC(=O)N(C1=NC[C@@H](C)S1)c1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F ZINC000009353349 553245340 /nfs/dbraw/zinc/24/53/40/553245340.db2.gz BYCCAQUCHNPCLX-PIGZYNQJSA-N 0 0 502.437 3.798 50 0 KHAARN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009354531 553246007 /nfs/dbraw/zinc/24/60/07/553246007.db2.gz URNBGCMBFISMAU-UHFFFAOYSA-N 0 0 508.419 3.846 50 0 KHAARN O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc(Br)c1 ZINC000009354626 553246020 /nfs/dbraw/zinc/24/60/20/553246020.db2.gz DDNXDTFXVRGDEO-UHFFFAOYSA-N 0 0 509.356 3.892 50 0 KHAARN COC(=O)C1=C(NC(=O)NC(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CCS1 ZINC000009354667 553246246 /nfs/dbraw/zinc/24/62/46/553246246.db2.gz YONYWBSZSWTSQW-UHFFFAOYSA-N 0 0 509.993 3.784 50 0 KHAARN CCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)n2)cc1 ZINC000009354683 553246199 /nfs/dbraw/zinc/24/61/99/553246199.db2.gz HIROWPPVQIMQRM-UHFFFAOYSA-N 0 0 503.646 3.908 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000009354685 553246209 /nfs/dbraw/zinc/24/62/09/553246209.db2.gz BJURWKHAFMYESH-UHFFFAOYSA-N 0 0 503.646 3.963 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000009354692 553246234 /nfs/dbraw/zinc/24/62/34/553246234.db2.gz GNFLSBCFTKSBGE-UHFFFAOYSA-N 0 0 517.629 3.549 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000009354700 553246219 /nfs/dbraw/zinc/24/62/19/553246219.db2.gz OCXSAVGKIIQUST-UHFFFAOYSA-N 0 0 510.037 3.999 50 0 KHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1 ZINC000009358479 553247515 /nfs/dbraw/zinc/24/75/15/553247515.db2.gz SMMVOZGNFUSAMP-UHFFFAOYSA-N 0 0 533.720 3.961 50 0 KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000009361111 553248633 /nfs/dbraw/zinc/24/86/33/553248633.db2.gz QQHXORBSITXSRH-NDBXHCKUSA-N 0 0 513.937 3.873 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009363937 553248878 /nfs/dbraw/zinc/24/88/78/553248878.db2.gz KUEKRUJFWYNAOV-UHFFFAOYSA-N 0 0 500.598 3.865 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1ccccc1 ZINC000009364092 553248913 /nfs/dbraw/zinc/24/89/13/553248913.db2.gz CIQADXCZJWYOAY-UHFFFAOYSA-N 0 0 517.658 3.696 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC)c(OC)c3)s2)cc1 ZINC000009364535 553249056 /nfs/dbraw/zinc/24/90/56/553249056.db2.gz VBINSVQRNDDQGG-UHFFFAOYSA-N 0 0 502.574 3.715 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC)cc3OC)s2)cc1 ZINC000009364541 553249050 /nfs/dbraw/zinc/24/90/50/553249050.db2.gz NMNHMGHTFQVVRI-UHFFFAOYSA-N 0 0 502.574 3.715 50 0 KHAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1 ZINC000009364946 553249030 /nfs/dbraw/zinc/24/90/30/553249030.db2.gz HVSROVZHPUCWAU-UHFFFAOYSA-N 0 0 517.658 3.614 50 0 KHAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1 ZINC000009364950 553249079 /nfs/dbraw/zinc/24/90/79/553249079.db2.gz VLXOIUJKYSRCEB-UHFFFAOYSA-N 0 0 517.658 3.614 50 0 KHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C1 ZINC000009367587 553249420 /nfs/dbraw/zinc/24/94/20/553249420.db2.gz FTYISXKCCRKKHE-GJZGRUSLSA-N 0 0 507.659 3.619 50 0 KHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C1 ZINC000009367588 553249432 /nfs/dbraw/zinc/24/94/32/553249432.db2.gz FTYISXKCCRKKHE-HUUCEWRRSA-N 0 0 507.659 3.619 50 0 KHAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1cccc(Cl)c1 ZINC000009369056 553249942 /nfs/dbraw/zinc/24/99/42/553249942.db2.gz WGJNWVQBTZQBCR-UHFFFAOYSA-N 0 0 515.020 3.803 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000009369057 553249941 /nfs/dbraw/zinc/24/99/41/553249941.db2.gz QKYRYSODCDDVTO-UHFFFAOYSA-N 0 0 521.574 3.841 50 0 KHAARN O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2ccccc2F)n1-c1ccc(F)cc1 ZINC000009369058 553249926 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COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009380912 553252310 /nfs/dbraw/zinc/25/23/10/553252310.db2.gz RATMDBJUCCZKGG-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN COc1ccc(S(=O)(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2ccccc2F)cc1 ZINC000009380935 553252305 /nfs/dbraw/zinc/25/23/05/553252305.db2.gz BAROWTMZXFJAOI-QHCPKHFHSA-N 0 0 503.577 3.746 50 0 KHAARN COc1ccc(S(=O)(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccccc2F)cc1 ZINC000009380936 553252294 /nfs/dbraw/zinc/25/22/94/553252294.db2.gz BAROWTMZXFJAOI-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009381316 553252664 /nfs/dbraw/zinc/25/26/64/553252664.db2.gz ITZHTNLVRDDOMY-UHFFFAOYSA-N 0 0 509.540 3.902 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000009381524 553252817 /nfs/dbraw/zinc/25/28/17/553252817.db2.gz KAKBMJIKRSGIHB-UHFFFAOYSA-N 0 0 511.531 3.961 50 0 KHAARN CCOC(=O)CCC(=O)Nc1scc2c1c(=O)n(-c1ccc(C(F)(F)F)cc1)nc2C(=O)OCC ZINC000009381625 553252848 /nfs/dbraw/zinc/25/28/48/553252848.db2.gz IVYRXYBMHYMFIO-UHFFFAOYSA-N 0 0 511.478 3.925 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)cc1OC ZINC000009381670 553252936 /nfs/dbraw/zinc/25/29/36/553252936.db2.gz NCENFWYAUGWAMO-UHFFFAOYSA-N 0 0 509.540 3.902 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1ccc(OC)c(OC)c1 ZINC000009381671 553252964 /nfs/dbraw/zinc/25/29/64/553252964.db2.gz LVBUKMIHIHIKES-UHFFFAOYSA-N 0 0 509.540 3.902 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cccc(OC)c1OC ZINC000009381672 553252999 /nfs/dbraw/zinc/25/29/99/553252999.db2.gz XTERNBTZRVECPZ-UHFFFAOYSA-N 0 0 509.540 3.902 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2NC(=O)c1cc(OC)cc(OC)c1 ZINC000009381673 553252927 /nfs/dbraw/zinc/25/29/27/553252927.db2.gz VVSVRLQTGOPMAB-UHFFFAOYSA-N 0 0 509.540 3.902 50 0 KHAARN 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CC[C@@H](Sc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn21)C(=O)NCc1cccnc1 ZINC000009472057 553270144 /nfs/dbraw/zinc/27/01/44/553270144.db2.gz QQXGAFRBORLYKP-JOCHJYFZSA-N 0 0 500.632 3.916 50 0 KHAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NC[C@@H]3CCCO3)n2n1 ZINC000009472114 553270117 /nfs/dbraw/zinc/27/01/17/553270117.db2.gz MKRVMTSONVRKRF-SFHVURJKSA-N 0 0 501.616 3.566 50 0 KHAARN Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NC[C@H]3CCCO3)n2n1 ZINC000009472121 553270175 /nfs/dbraw/zinc/27/01/75/553270175.db2.gz MKRVMTSONVRKRF-GOSISDBHSA-N 0 0 501.616 3.566 50 0 KHAARN Cc1cncn1CCc1nc2c3ccccc3nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n2n1 ZINC000009472212 553270149 /nfs/dbraw/zinc/27/01/49/553270149.db2.gz SSUFGKCTYLUAGJ-UHFFFAOYSA-N 0 0 502.991 3.979 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)CC1 ZINC000009472657 553270146 /nfs/dbraw/zinc/27/01/46/553270146.db2.gz TYUSCIFGWOITOR-UHFFFAOYSA-N 0 0 506.653 3.956 50 0 KHAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2cccc(Cl)c2)n[nH]1 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CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1 ZINC000009473060 553270509 /nfs/dbraw/zinc/27/05/09/553270509.db2.gz KUQYWPOCKHZEOV-UHFFFAOYSA-N 0 0 520.611 3.707 50 0 KHAARN CCOC(=O)N1CCC(n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000009473110 553270493 /nfs/dbraw/zinc/27/04/93/553270493.db2.gz XREVUONRHPTLDD-UHFFFAOYSA-N 0 0 526.615 3.938 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NC[C@@H]1CCCO1 ZINC000009473141 553270449 /nfs/dbraw/zinc/27/04/49/553270449.db2.gz YUOMEPLPOZWYAH-NRFANRHFSA-N 0 0 512.676 3.571 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCC1=CCCCC1)NC[C@H]1CCCO1 ZINC000009473144 553270455 /nfs/dbraw/zinc/27/04/55/553270455.db2.gz YUOMEPLPOZWYAH-OAQYLSRUSA-N 0 0 512.676 3.571 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1 ZINC000009473165 553270767 /nfs/dbraw/zinc/27/07/67/553270767.db2.gz UEXZQDSVYDFHRD-UHFFFAOYSA-N 0 0 522.627 3.707 50 0 KHAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)c1ccccc1 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553270811 /nfs/dbraw/zinc/27/08/11/553270811.db2.gz QGVYKGQJFUSMDB-NHCUHLMSSA-N 0 0 525.602 3.598 50 0 KHAARN CC[C@H](Sc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccco1)C(=O)NCc1ccco1 ZINC000009473357 553270832 /nfs/dbraw/zinc/27/08/32/553270832.db2.gz TYZOPOKZWFDCSK-QFIPXVFZSA-N 0 0 508.600 3.866 50 0 KHAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccco1)C(=O)NCc1ccco1 ZINC000009473359 553270851 /nfs/dbraw/zinc/27/08/51/553270851.db2.gz TYZOPOKZWFDCSK-JOCHJYFZSA-N 0 0 508.600 3.866 50 0 KHAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1 ZINC000009473367 553270839 /nfs/dbraw/zinc/27/08/39/553270839.db2.gz USMBMCAMGXKNSO-UHFFFAOYSA-N 0 0 504.612 3.803 50 0 KHAARN CC[C@H](Sc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccco1)C(=O)NCc1cccnc1 ZINC000009473386 553270845 /nfs/dbraw/zinc/27/08/45/553270845.db2.gz PJGSYZQSVFQYDO-QHCPKHFHSA-N 0 0 519.627 3.668 50 0 KHAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccco1)C(=O)NCc1cccnc1 ZINC000009473389 553270875 /nfs/dbraw/zinc/27/08/75/553270875.db2.gz 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CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCC(=O)Nc1ccc(OC)cc1OC ZINC000009473738 553271166 /nfs/dbraw/zinc/27/11/66/553271166.db2.gz AOTGUTIYEQJJTO-UHFFFAOYSA-N 0 0 512.632 3.781 50 0 KHAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCC(=O)Nc1cc(OC)ccc1OC ZINC000009473744 553271183 /nfs/dbraw/zinc/27/11/83/553271183.db2.gz RZZIJEMJBANCQF-UHFFFAOYSA-N 0 0 512.632 3.781 50 0 KHAARN CC[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)C(=O)NCCOC ZINC000009473817 553271176 /nfs/dbraw/zinc/27/11/76/553271176.db2.gz PIQNAXWIYBJFFF-DEOSSOPVSA-N 0 0 522.671 3.751 50 0 KHAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC2CCCC2)cc1)C(=O)NCCOC ZINC000009473820 553271216 /nfs/dbraw/zinc/27/12/16/553271216.db2.gz PIQNAXWIYBJFFF-XMMPIXPASA-N 0 0 522.671 3.751 50 0 KHAARN CCOC(=O)CC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1CCc1ccccc1 ZINC000009473900 553271371 /nfs/dbraw/zinc/27/13/71/553271371.db2.gz CJZIAHSEKQGTMJ-UHFFFAOYSA-N 0 0 502.614 3.800 50 0 KHAARN CCOC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1CCc1ccc(OC)c(OC)c1 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CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000009519587 553276552 /nfs/dbraw/zinc/27/65/52/553276552.db2.gz QVZMZLSZJXVQMG-UHFFFAOYSA-N 0 0 511.522 3.821 50 0 KHAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000009519643 553276575 /nfs/dbraw/zinc/27/65/75/553276575.db2.gz WEDAOVMYARZLAI-UHFFFAOYSA-N 0 0 509.506 3.575 50 0 KHAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(Br)cc1 ZINC000009519689 553276556 /nfs/dbraw/zinc/27/65/56/553276556.db2.gz WZUZWIVYLLETIP-UHFFFAOYSA-N 0 0 518.433 3.829 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000009519692 553276533 /nfs/dbraw/zinc/27/65/33/553276533.db2.gz BNVYIUOVMQOKCD-UHFFFAOYSA-N 0 0 504.008 3.728 50 0 KHAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(OC(F)(F)F)cc1 ZINC000009519704 553276546 /nfs/dbraw/zinc/27/65/46/553276546.db2.gz JTPSALJEXFGGGG-UHFFFAOYSA-N 0 0 523.533 3.965 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519818 553276695 /nfs/dbraw/zinc/27/66/95/553276695.db2.gz SECYSBUVZDKJHJ-UHFFFAOYSA-N 0 0 525.627 3.633 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 ZINC000009519819 553276734 /nfs/dbraw/zinc/27/67/34/553276734.db2.gz TUWMNJDTWJWPBX-UHFFFAOYSA-N 0 0 525.627 3.633 50 0 KHAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NCc1ccccc1Cl ZINC000009519830 553276725 /nfs/dbraw/zinc/27/67/25/553276725.db2.gz ALVPAXXRMIFFMB-UHFFFAOYSA-N 0 0 502.036 3.787 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 ZINC000009519869 553276748 /nfs/dbraw/zinc/27/67/48/553276748.db2.gz LILUDRRCVWBWJQ-UHFFFAOYSA-N 0 0 518.035 3.974 50 0 KHAARN CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)NCc3ccccc3Cl)c3ccccc32)CC1 ZINC000009519890 553276927 /nfs/dbraw/zinc/27/69/27/553276927.db2.gz COJGZGVWOKWPAO-UHFFFAOYSA-N 0 0 502.036 3.643 50 0 KHAARN COc1ccc(OC)c(NC(=O)CS(=O)(=O)c2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)c1 ZINC000009519921 553276906 /nfs/dbraw/zinc/27/69/06/553276906.db2.gz RQJMAYMGOCABAY-UHFFFAOYSA-N 0 0 515.632 3.716 50 0 KHAARN COc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)cc1OC ZINC000009519922 553276885 /nfs/dbraw/zinc/27/68/85/553276885.db2.gz VRRICKCPWGAGNA-UHFFFAOYSA-N 0 0 515.632 3.716 50 0 KHAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(=O)c2cc1OCC ZINC000009529836 553277328 /nfs/dbraw/zinc/27/73/28/553277328.db2.gz QYJIYOOWCKWWIK-UHFFFAOYSA-N 0 0 534.657 3.642 50 0 KHAARN CCN(CCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529944 553277280 /nfs/dbraw/zinc/27/72/80/553277280.db2.gz CRQWXIBZKSRTPM-RTWAWAEBSA-N 0 0 507.081 3.667 50 0 KHAARN CCN(CCCNC(=O)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1)c1ccccc1 ZINC000009529945 553277308 /nfs/dbraw/zinc/27/73/08/553277308.db2.gz CRQWXIBZKSRTPM-SFTDATJTSA-N 0 0 507.081 3.667 50 0 KHAARN Cc1cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)ccc1Br ZINC000009542029 553277987 /nfs/dbraw/zinc/27/79/87/553277987.db2.gz WKSUFUVWZOXEKZ-UHFFFAOYSA-N 0 0 502.373 3.990 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000009553719 553278475 /nfs/dbraw/zinc/27/84/75/553278475.db2.gz XCDMOFBFQNTJSR-CVMWMZFYSA-N 0 0 511.603 3.729 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000009553720 553278536 /nfs/dbraw/zinc/27/85/36/553278536.db2.gz XCDMOFBFQNTJSR-QAHUDSGCSA-N 0 0 511.603 3.729 50 0 KHAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000009554132 553278925 /nfs/dbraw/zinc/27/89/25/553278925.db2.gz KOQHNYYSHPXGFF-UHFFFAOYSA-N 0 0 521.620 3.905 50 0 KHAARN COc1ccc(C2(CNC(=O)C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)CCOCC2)cc1 ZINC000009556265 553278903 /nfs/dbraw/zinc/27/89/03/553278903.db2.gz FQUXISNYXQYMGZ-UHFFFAOYSA-N 0 0 510.631 3.505 50 0 KHAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1OC ZINC000009559177 553279395 /nfs/dbraw/zinc/27/93/95/553279395.db2.gz CAEQJDLGIFYVHF-VSGBNLITSA-N 0 0 516.594 3.917 50 0 KHAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)cc1OC ZINC000009559178 553279409 /nfs/dbraw/zinc/27/94/09/553279409.db2.gz CAEQJDLGIFYVHF-WUFINQPMSA-N 0 0 516.594 3.917 50 0 KHAARN COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1OC ZINC000009559179 553279391 /nfs/dbraw/zinc/27/93/91/553279391.db2.gz CAEQJDLGIFYVHF-IZLXSDGUSA-N 0 0 516.594 3.917 50 0 KHAARN COc1ccc(CCNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)cc1OC ZINC000009559180 553279394 /nfs/dbraw/zinc/27/93/94/553279394.db2.gz CAEQJDLGIFYVHF-NSOVKSMOSA-N 0 0 516.594 3.917 50 0 KHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c1 ZINC000009559274 553279604 /nfs/dbraw/zinc/27/96/04/553279604.db2.gz LMKDWXSETCESOH-KAYWLYCHSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(OC)c(CNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c1 ZINC000009559275 553279572 /nfs/dbraw/zinc/27/95/72/553279572.db2.gz LMKDWXSETCESOH-RRPNLBNLSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(OC)c(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)c1 ZINC000009559276 553279502 /nfs/dbraw/zinc/27/95/02/553279502.db2.gz LMKDWXSETCESOH-SXOMAYOGSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(OC)c(CNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)c1 ZINC000009559277 553279499 /nfs/dbraw/zinc/27/94/99/553279499.db2.gz LMKDWXSETCESOH-SVBPBHIXSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c(OC)c1 ZINC000009559288 553279505 /nfs/dbraw/zinc/27/95/05/553279505.db2.gz OEMGBLQWZQQWLE-KAYWLYCHSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]23)c(OC)c1 ZINC000009559289 553279599 /nfs/dbraw/zinc/27/95/99/553279599.db2.gz OEMGBLQWZQQWLE-RRPNLBNLSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)c(OC)c1 ZINC000009559290 553279542 /nfs/dbraw/zinc/27/95/42/553279542.db2.gz OEMGBLQWZQQWLE-SXOMAYOGSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]23)c(OC)c1 ZINC000009559291 553279569 /nfs/dbraw/zinc/27/95/69/553279569.db2.gz OEMGBLQWZQQWLE-SVBPBHIXSA-N 0 0 502.567 3.874 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCC(C)CC2)c2ccccc2c1=O ZINC000009559311 553279582 /nfs/dbraw/zinc/27/95/82/553279582.db2.gz YSQRNFNFWCETIG-UHFFFAOYSA-N 0 0 504.008 3.723 50 0 KHAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c3ccccc32)CC1 ZINC000009559323 553279506 /nfs/dbraw/zinc/27/95/06/553279506.db2.gz KVPMOPQMZVFQSC-UHFFFAOYSA-N 0 0 521.683 3.903 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559390 553279523 /nfs/dbraw/zinc/27/95/23/553279523.db2.gz MMTYGGSGOSAKOO-IBGZPJMESA-N 0 0 509.403 3.575 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000009559391 553279593 /nfs/dbraw/zinc/27/95/93/553279593.db2.gz MMTYGGSGOSAKOO-LJQANCHMSA-N 0 0 509.403 3.575 50 0 KHAARN COc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000009559543 553279780 /nfs/dbraw/zinc/27/97/80/553279780.db2.gz VYYQYJNLBYVZRS-UHFFFAOYSA-N 0 0 501.468 3.920 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559545 553279743 /nfs/dbraw/zinc/27/97/43/553279743.db2.gz INJHZDGEOIHAEP-UHFFFAOYSA-N 0 0 515.451 3.640 50 0 KHAARN COc1ccccc1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000009559553 553280090 /nfs/dbraw/zinc/28/00/90/553280090.db2.gz YEQFNXCURKULRD-UHFFFAOYSA-N 0 0 501.468 3.920 50 0 KHAARN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000009560330 553280392 /nfs/dbraw/zinc/28/03/92/553280392.db2.gz MURPRFMEAANPBG-CYBMUJFWSA-N 0 0 513.841 3.880 50 0 KHAARN CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000009560331 553280394 /nfs/dbraw/zinc/28/03/94/553280394.db2.gz MURPRFMEAANPBG-ZDUSSCGKSA-N 0 0 513.841 3.880 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000009560487 553280519 /nfs/dbraw/zinc/28/05/19/553280519.db2.gz VBOFGMHEGAOHEJ-UIOOFZCWSA-N 0 0 506.599 3.686 50 0 biogenic KHAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccc(OCC)c(OCC)c2)n(C)c(=O)n3C)CC1 ZINC000009561416 553281281 /nfs/dbraw/zinc/28/12/81/553281281.db2.gz MGPKYPFQMYYDBI-UHFFFAOYSA-N 0 0 524.618 3.706 50 0 KHAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)c2ccccc2Br)n(C)c(=O)n3C)CC1 ZINC000009561443 553281343 /nfs/dbraw/zinc/28/13/43/553281343.db2.gz OAUWZJSPRLRBFR-UHFFFAOYSA-N 0 0 515.408 3.671 50 0 KHAARN COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4Cl)CC3)cs2)cc1OC ZINC000009573719 553281452 /nfs/dbraw/zinc/28/14/52/553281452.db2.gz PIQHTINVCIQZAB-UHFFFAOYSA-N 0 0 501.008 3.957 50 0 KHAARN COc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)cc1OC ZINC000009573720 553281496 /nfs/dbraw/zinc/28/14/96/553281496.db2.gz GYEPZLKSTZQIRX-UHFFFAOYSA-N 0 0 501.008 3.957 50 0 KHAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccc(Br)cc1 ZINC000009578320 553281696 /nfs/dbraw/zinc/28/16/96/553281696.db2.gz OBGJSIKVSUNICX-UHFFFAOYSA-N 0 0 511.405 3.590 50 0 KHAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccccc1C(F)(F)F ZINC000009578342 553281706 /nfs/dbraw/zinc/28/17/06/553281706.db2.gz VBRJNXOBGMRFII-UHFFFAOYSA-N 0 0 500.506 3.846 50 0 KHAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1cccc(C(F)(F)F)c1 ZINC000009578344 553281686 /nfs/dbraw/zinc/28/16/86/553281686.db2.gz OIEYWWHTOKIMAV-UHFFFAOYSA-N 0 0 500.506 3.846 50 0 KHAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000009578346 553281694 /nfs/dbraw/zinc/28/16/94/553281694.db2.gz JFFUIRIDPDJRTM-UHFFFAOYSA-N 0 0 500.506 3.846 50 0 KHAARN O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000009578348 553281681 /nfs/dbraw/zinc/28/16/81/553281681.db2.gz UQSBNTJTYRJMQC-UHFFFAOYSA-N 0 0 516.505 3.726 50 0 KHAARN Cc1ccc2nc(NC(=O)CSc3ccc4nnc(CCNC(=O)c5ccccc5)n4n3)sc2c1 ZINC000009578391 553281692 /nfs/dbraw/zinc/28/16/92/553281692.db2.gz BTSPRFLVQVBICH-UHFFFAOYSA-N 0 0 503.613 3.746 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 ZINC000009578449 553281697 /nfs/dbraw/zinc/28/16/97/553281697.db2.gz JHGFKOKJSYEZIH-UHFFFAOYSA-N 0 0 511.007 3.798 50 0 KHAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1 ZINC000009578510 553281802 /nfs/dbraw/zinc/28/18/02/553281802.db2.gz JTWDAMXBWOOAEN-UHFFFAOYSA-N 0 0 503.613 3.746 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4c(C)cc(C)cc4C)nn32)cc1 ZINC000009578581 553281828 /nfs/dbraw/zinc/28/18/28/553281828.db2.gz NULIRGNUPIZAGQ-UHFFFAOYSA-N 0 0 504.616 3.761 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)c(Cl)c4)nn32)cc1 ZINC000009578597 553281832 /nfs/dbraw/zinc/28/18/32/553281832.db2.gz NJHPILZCVUJOCQ-UHFFFAOYSA-N 0 0 511.007 3.798 50 0 KHAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 ZINC000009580199 553282039 /nfs/dbraw/zinc/28/20/39/553282039.db2.gz HQFYEJCDINBEEF-UHFFFAOYSA-N 0 0 500.005 3.966 50 0 KHAARN COc1ccc([C@@H]2OC(c3cncc(Br)c3)=NN2C(C)=O)cc1I ZINC000009586163 553282607 /nfs/dbraw/zinc/28/26/07/553282607.db2.gz PNVIHDKJKVAEHQ-INIZCTEOSA-N 0 0 502.106 3.696 50 0 KHAARN COc1ccc([C@H]2OC(c3cncc(Br)c3)=NN2C(C)=O)cc1I ZINC000009586167 553282655 /nfs/dbraw/zinc/28/26/55/553282655.db2.gz PNVIHDKJKVAEHQ-MRXNPFEDSA-N 0 0 502.106 3.696 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O)NCc1ccccc1Cl ZINC000009589820 553282813 /nfs/dbraw/zinc/28/28/13/553282813.db2.gz JHPCVMQVSQLUIT-UHFFFAOYSA-N 0 0 525.049 3.752 50 0 KHAARN COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)cc2)c1 ZINC000009590858 553282978 /nfs/dbraw/zinc/28/29/78/553282978.db2.gz DBFSXDCDWVZSQW-FQEVSTJZSA-N 0 0 503.507 3.702 50 0 KHAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(Br)cc1 ZINC000009591194 553283172 /nfs/dbraw/zinc/28/31/72/553283172.db2.gz OWWSDCMQMMBOLX-GFCCVEGCSA-N 0 0 514.159 3.675 50 0 KHAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1ccc(Br)cc1 ZINC000009591200 553283211 /nfs/dbraw/zinc/28/32/11/553283211.db2.gz OWWSDCMQMMBOLX-LBPRGKRZSA-N 0 0 514.159 3.675 50 0 KHAARN O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)cc1 ZINC000009591433 553283209 /nfs/dbraw/zinc/28/32/09/553283209.db2.gz SFYJZSXZZCQYJQ-CYBMUJFWSA-N 0 0 514.159 3.675 50 0 KHAARN O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)cc1 ZINC000009591439 553283226 /nfs/dbraw/zinc/28/32/26/553283226.db2.gz SFYJZSXZZCQYJQ-ZDUSSCGKSA-N 0 0 514.159 3.675 50 0 KHAARN CC(C)(C)c1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009591553 553283337 /nfs/dbraw/zinc/28/33/37/553283337.db2.gz IQKZMEMNBQKDCD-QGZVFWFLSA-N 0 0 501.377 3.666 50 0 KHAARN CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 ZINC000009591557 553283305 /nfs/dbraw/zinc/28/33/05/553283305.db2.gz IQKZMEMNBQKDCD-KRWDZBQOSA-N 0 0 501.377 3.666 50 0 KHAARN O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000009591785 553283325 /nfs/dbraw/zinc/28/33/25/553283325.db2.gz UWWJSPVLMATXKH-QKPHTXKDSA-N 0 0 502.308 3.680 50 0 KHAARN COc1cc(NC(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc(OC)c1OC ZINC000009597547 553283959 /nfs/dbraw/zinc/28/39/59/553283959.db2.gz WKLGDGNJCLKKIR-UHFFFAOYSA-N 0 0 508.575 3.763 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1OC ZINC000009597784 553283972 /nfs/dbraw/zinc/28/39/72/553283972.db2.gz SFQJNSVXEBQERM-UHFFFAOYSA-N 0 0 502.614 3.540 50 0 KHAARN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)cc12 ZINC000009598042 553284120 /nfs/dbraw/zinc/28/41/20/553284120.db2.gz QMDTURGEALNLTP-UHFFFAOYSA-N 0 0 501.635 3.637 50 0 KHAARN CCc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCCC(=O)Nc3ccc(OC)cc3)c2=O)cc1 ZINC000009598677 553284683 /nfs/dbraw/zinc/28/46/83/553284683.db2.gz LNUMPHDGQCJVDB-UHFFFAOYSA-N 0 0 520.611 3.853 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000009598720 553284680 /nfs/dbraw/zinc/28/46/80/553284680.db2.gz SWJMXPQZFQPPIU-UHFFFAOYSA-N 0 0 522.671 3.636 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 ZINC000009598736 553284685 /nfs/dbraw/zinc/28/46/85/553284685.db2.gz FGPGZXBBHAFJTI-UHFFFAOYSA-N 0 0 504.612 3.577 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 ZINC000009598737 553284875 /nfs/dbraw/zinc/28/48/75/553284875.db2.gz PEXKRSVKPKLQOU-UHFFFAOYSA-N 0 0 518.639 3.885 50 0 KHAARN O=C(CCCn1c(=O)c2sccc2n(Cc2ccccc2Cl)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009598742 553284871 /nfs/dbraw/zinc/28/48/71/553284871.db2.gz RCIHILAYUKQPHL-UHFFFAOYSA-N 0 0 511.987 3.752 50 0 KHAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3c(C)cc(C)cc3C)c2=O)cc1OC ZINC000009598800 553284964 /nfs/dbraw/zinc/28/49/64/553284964.db2.gz CIMURKAUIIOUNY-UHFFFAOYSA-N 0 0 521.639 3.574 50 0 KHAARN O=C(Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)c3ccc(F)cc3)c2=O)cc1)NCc1ccco1 ZINC000009598883 553284953 /nfs/dbraw/zinc/28/49/53/553284953.db2.gz POEUEUOHLKNIPU-UHFFFAOYSA-N 0 0 517.538 3.688 50 0 KHAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O)NCc1ccccc1 ZINC000009598919 553285202 /nfs/dbraw/zinc/28/52/02/553285202.db2.gz CMPFRSUDMNOACO-UHFFFAOYSA-N 0 0 522.602 3.879 50 0 KHAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccccc1 ZINC000009598920 553285196 /nfs/dbraw/zinc/28/51/96/553285196.db2.gz DEULVUXFPXVWLT-UHFFFAOYSA-N 0 0 504.612 3.740 50 0 KHAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2)c1=O)NCc1ccccc1 ZINC000009598921 553285197 /nfs/dbraw/zinc/28/51/97/553285197.db2.gz FOZSRDHFKPCSER-UHFFFAOYSA-N 0 0 522.602 3.879 50 0 KHAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccc(F)cc1 ZINC000009598931 553285207 /nfs/dbraw/zinc/28/52/07/553285207.db2.gz KMNOECRXBAITQC-UHFFFAOYSA-N 0 0 522.602 3.879 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3cc(OC)ccc3OC)c2=O)cc1 ZINC000009599006 553285334 /nfs/dbraw/zinc/28/53/34/553285334.db2.gz RCFPHZMNVAPQLD-UHFFFAOYSA-N 0 0 509.584 3.885 50 0 KHAARN COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)N3CCCc4ccccc43)c2=O)c(OC)c1 ZINC000009599015 553285272 /nfs/dbraw/zinc/28/52/72/553285272.db2.gz YFVBMGRIIDRNSN-UHFFFAOYSA-N 0 0 505.596 3.827 50 0 KHAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCc4ccccc4C3)cc1)CCCC2 ZINC000009599726 553285688 /nfs/dbraw/zinc/28/56/88/553285688.db2.gz BGNXSZINTKIMIK-UHFFFAOYSA-N 0 0 509.653 3.986 50 0 KHAARN CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000009599989 553285906 /nfs/dbraw/zinc/28/59/06/553285906.db2.gz MOVVWZIHLUINMM-UHFFFAOYSA-N 0 0 502.618 3.657 50 0 KHAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)NCc3ccco3)s2)cc(OCC)c1OCC ZINC000009600035 553285902 /nfs/dbraw/zinc/28/59/02/553285902.db2.gz PMFNWGDFFBQOEU-UHFFFAOYSA-N 0 0 506.606 3.988 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(C)cc2)cc1 ZINC000009600849 553286225 /nfs/dbraw/zinc/28/62/25/553286225.db2.gz HTIPZSGCVWYEQB-UHFFFAOYSA-N 0 0 520.611 3.635 50 0 KHAARN COc1ccccc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccc(C)cc1 ZINC000009600859 553286186 /nfs/dbraw/zinc/28/61/86/553286186.db2.gz SYHDNNLIHRMPAI-UHFFFAOYSA-N 0 0 520.611 3.635 50 0 KHAARN COc1ccccc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000009600864 553286182 /nfs/dbraw/zinc/28/61/82/553286182.db2.gz IRXDFTCXBBSIDU-UHFFFAOYSA-N 0 0 509.628 3.556 50 0 KHAARN Cc1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000009600867 553286205 /nfs/dbraw/zinc/28/62/05/553286205.db2.gz ZXBYIJXAHXMYKK-UHFFFAOYSA-N 0 0 504.612 3.935 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000009600871 553286239 /nfs/dbraw/zinc/28/62/39/553286239.db2.gz XCRVPLSSJJMOFB-UHFFFAOYSA-N 0 0 500.020 3.893 50 0 KHAARN O=C(C1CCN(Cc2ccc(Br)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000009601103 553286478 /nfs/dbraw/zinc/28/64/78/553286478.db2.gz AYCJUSSDAPKJMF-UHFFFAOYSA-N 0 0 500.437 3.734 50 0 KHAARN CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000009601168 553286436 /nfs/dbraw/zinc/28/64/36/553286436.db2.gz SGBYAELFNOOCSU-UHFFFAOYSA-N 0 0 511.604 3.784 50 0 KHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000009601225 553286592 /nfs/dbraw/zinc/28/65/92/553286592.db2.gz KRRUGBNMRPAWHS-UHFFFAOYSA-N 0 0 514.003 3.646 50 0 KHAARN CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1 ZINC000009601399 553286668 /nfs/dbraw/zinc/28/66/68/553286668.db2.gz SLWZMWHAYMCWHI-XMMPIXPASA-N 0 0 510.978 3.785 50 0 KHAARN CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1 ZINC000009601400 553286588 /nfs/dbraw/zinc/28/65/88/553286588.db2.gz SLWZMWHAYMCWHI-DEOSSOPVSA-N 0 0 510.978 3.785 50 0 KHAARN CCN(CC)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Br)c1 ZINC000009601621 553286780 /nfs/dbraw/zinc/28/67/80/553286780.db2.gz RYBDTGXTHIMLQL-UHFFFAOYSA-N 0 0 512.408 3.883 50 0 biogenic KHAARN COc1ccc(CCNC(=O)Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(C)cc3)c2=O)cc1OC ZINC000009603256 553287225 /nfs/dbraw/zinc/28/72/25/553287225.db2.gz LDGQPQZHEYSXOH-UHFFFAOYSA-N 0 0 513.550 3.583 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000009607908 553287506 /nfs/dbraw/zinc/28/75/06/553287506.db2.gz GRMCDQAAFCNNDZ-UHFFFAOYSA-N 0 0 502.618 3.591 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000009607993 553287502 /nfs/dbraw/zinc/28/75/02/553287502.db2.gz MWFDCGXPOOZPJE-UHFFFAOYSA-N 0 0 502.618 3.591 50 0 KHAARN CCN(CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)c1ccccc1 ZINC000009608268 553287498 /nfs/dbraw/zinc/28/74/98/553287498.db2.gz MHNKWJOHEADLDF-UHFFFAOYSA-N 0 0 515.705 3.809 50 0 KHAARN CSCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1Cc2ccccc2C1=O ZINC000009609020 553287779 /nfs/dbraw/zinc/28/77/79/553287779.db2.gz SAIVJDZYVRFNSN-QHCPKHFHSA-N 0 0 501.674 3.968 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)CC1 ZINC000009610074 553288127 /nfs/dbraw/zinc/28/81/27/553288127.db2.gz CDQBOACYELAINO-UHFFFAOYSA-N 0 0 509.607 3.700 50 0 KHAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(c5ccccn5)CC4)c(C)n3n2)c(OC)c1 ZINC000009610105 553288149 /nfs/dbraw/zinc/28/81/49/553288149.db2.gz NFETUKFBUUIOIJ-UHFFFAOYSA-N 0 0 500.603 3.707 50 0 KHAARN COc1ccc(OC)c(CCNC(=O)CCc2c(C)nc3nc(-c4cc(OC)cc(OC)c4)nn3c2C)c1 ZINC000009610186 553288268 /nfs/dbraw/zinc/28/82/68/553288268.db2.gz XXISOPVICWDQDF-UHFFFAOYSA-N 0 0 519.602 3.734 50 0 KHAARN COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)NCCc4ccc(OC)c(OC)c4)c(C)n3n2)c1 ZINC000009610188 553288270 /nfs/dbraw/zinc/28/82/70/553288270.db2.gz SROIDXIIKOWPBE-UHFFFAOYSA-N 0 0 519.602 3.734 50 0 KHAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2ccc(OC)c(OC)c2)c1C ZINC000009610329 553288493 /nfs/dbraw/zinc/28/84/93/553288493.db2.gz RVALUDGRNVZMAT-UHFFFAOYSA-N 0 0 518.614 3.809 50 0 KHAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2ccc(OC)cc2OC)c1C ZINC000009610332 553288486 /nfs/dbraw/zinc/28/84/86/553288486.db2.gz YMNBYSYFMSJYLU-UHFFFAOYSA-N 0 0 518.614 3.809 50 0 KHAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2cc(OC)ccc2OC)c1C ZINC000009610333 553288452 /nfs/dbraw/zinc/28/84/52/553288452.db2.gz BCIRBKFPGJZEHB-UHFFFAOYSA-N 0 0 518.614 3.809 50 0 KHAARN CCN(CCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610648 553288682 /nfs/dbraw/zinc/28/86/82/553288682.db2.gz ZJVNAOZGITVYID-HHHXNRCGSA-N 0 0 520.655 3.624 50 0 KHAARN CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)c1ccccc1 ZINC000009610649 553288752 /nfs/dbraw/zinc/28/87/52/553288752.db2.gz ZJVNAOZGITVYID-MHZLTWQESA-N 0 0 520.655 3.624 50 0 KHAARN COc1cccc(N2CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)CC2)c1 ZINC000009610844 553288903 /nfs/dbraw/zinc/28/89/03/553288903.db2.gz BPPOEPQCQJTSGT-QHCPKHFHSA-N 0 0 516.689 3.655 50 0 KHAARN COc1cccc(N2CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4nc(C)sc4c3)CC2)c1 ZINC000009610845 553288825 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CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(C(C)=O)cc3)ccc21 ZINC000009692241 553297790 /nfs/dbraw/zinc/29/77/90/553297790.db2.gz BWUZLVBWYWNNHH-RUZDIDTESA-N 0 0 519.623 3.717 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)ccc21 ZINC000009692242 553297755 /nfs/dbraw/zinc/29/77/55/553297755.db2.gz ZDLOWWIONQORKG-DEOSSOPVSA-N 0 0 507.612 3.523 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)ccc21 ZINC000009692243 553297801 /nfs/dbraw/zinc/29/78/01/553297801.db2.gz ZDLOWWIONQORKG-XMMPIXPASA-N 0 0 507.612 3.523 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3F)ccc21 ZINC000009692244 553297786 /nfs/dbraw/zinc/29/77/86/553297786.db2.gz OUDRCEBCGBZDQQ-QHCPKHFHSA-N 0 0 513.566 3.792 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(F)cc3F)ccc21 ZINC000009692245 553297797 /nfs/dbraw/zinc/29/77/97/553297797.db2.gz OUDRCEBCGBZDQQ-HSZRJFAPSA-N 0 0 513.566 3.792 50 0 KHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000009692258 553297793 /nfs/dbraw/zinc/29/77/93/553297793.db2.gz MSOQBBCRULVDFP-VWLOTQADSA-N 0 0 521.639 3.913 50 0 KHAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 ZINC000009692259 553297761 /nfs/dbraw/zinc/29/77/61/553297761.db2.gz MSOQBBCRULVDFP-RUZDIDTESA-N 0 0 521.639 3.913 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000009692264 553297780 /nfs/dbraw/zinc/29/77/80/553297780.db2.gz SNGVSYCYJBCXRG-CPJSRVTESA-N 0 0 505.640 3.753 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C)c3ccccc3)ccc21 ZINC000009692265 553297762 /nfs/dbraw/zinc/29/77/62/553297762.db2.gz SNGVSYCYJBCXRG-NBGIEHNGSA-N 0 0 505.640 3.753 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000009692266 553297803 /nfs/dbraw/zinc/29/78/03/553297803.db2.gz SNGVSYCYJBCXRG-NLFFAJNJSA-N 0 0 505.640 3.753 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](C)c3ccccc3)ccc21 ZINC000009692267 553297792 /nfs/dbraw/zinc/29/77/92/553297792.db2.gz SNGVSYCYJBCXRG-CJFMBICVSA-N 0 0 505.640 3.753 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3ccc(C)cc3)ccc21 ZINC000009692270 553297757 /nfs/dbraw/zinc/29/77/57/553297757.db2.gz ZTDREHLYWJJQTE-SANMLTNESA-N 0 0 519.667 3.543 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3ccc(C)cc3)ccc21 ZINC000009692271 553297957 /nfs/dbraw/zinc/29/79/57/553297957.db2.gz ZTDREHLYWJJQTE-AREMUKBSSA-N 0 0 519.667 3.543 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc(C(C)=O)c3)ccc21 ZINC000009692272 553297881 /nfs/dbraw/zinc/29/78/81/553297881.db2.gz JKBDOURXRWFVJZ-VWLOTQADSA-N 0 0 519.623 3.717 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3cccc(C(C)=O)c3)ccc21 ZINC000009692273 553297896 /nfs/dbraw/zinc/29/78/96/553297896.db2.gz JKBDOURXRWFVJZ-RUZDIDTESA-N 0 0 519.623 3.717 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(F)c3)ccc21 ZINC000009692281 553297878 /nfs/dbraw/zinc/29/78/78/553297878.db2.gz JAAMKDAYXDVLGE-DEOSSOPVSA-N 0 0 509.603 3.962 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(C)c(F)c3)ccc21 ZINC000009692282 553297954 /nfs/dbraw/zinc/29/79/54/553297954.db2.gz JAAMKDAYXDVLGE-XMMPIXPASA-N 0 0 509.603 3.962 50 0 KHAARN Cc1cccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc5nsnc54)cc3)CC2)c1C ZINC000009692456 553297882 /nfs/dbraw/zinc/29/78/82/553297882.db2.gz SUCINTIYEMWOSR-UHFFFAOYSA-N 0 0 521.668 3.749 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)CC2)c1 ZINC000009692457 553297919 /nfs/dbraw/zinc/29/79/19/553297919.db2.gz LFUAWMYNVVYJCH-XMMPIXPASA-N 0 0 521.668 3.677 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)CC2)c1 ZINC000009692458 553297903 /nfs/dbraw/zinc/29/79/03/553297903.db2.gz LFUAWMYNVVYJCH-DEOSSOPVSA-N 0 0 521.668 3.677 50 0 KHAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000009692556 553297892 /nfs/dbraw/zinc/29/78/92/553297892.db2.gz SQDXTRQJBNBMLG-SFHVURJKSA-N 0 0 503.005 3.882 50 0 KHAARN Cc1ccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)C[C@@H]2C)cc1 ZINC000009692583 553298181 /nfs/dbraw/zinc/29/81/81/553298181.db2.gz HZTSNJBPPVMJFV-YADARESESA-N 0 0 521.668 3.757 50 0 KHAARN Cc1ccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)C[C@H]2C)cc1 ZINC000009692584 553298125 /nfs/dbraw/zinc/29/81/25/553298125.db2.gz HZTSNJBPPVMJFV-NTKDMRAZSA-N 0 0 521.668 3.757 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009692693 553298145 /nfs/dbraw/zinc/29/81/45/553298145.db2.gz RSDMGWHPSWUORD-UHFFFAOYSA-N 0 0 508.534 3.623 50 0 KHAARN O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21)NCCC1=CCCCC1 ZINC000009692694 553298197 /nfs/dbraw/zinc/29/81/97/553298197.db2.gz OULBSISTHXZPEN-UHFFFAOYSA-N 0 0 526.593 3.682 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)c(C)c1 ZINC000009692697 553298170 /nfs/dbraw/zinc/29/81/70/553298170.db2.gz UBWBCCHPGHJYMQ-UHFFFAOYSA-N 0 0 522.561 3.931 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000009692703 553298186 /nfs/dbraw/zinc/29/81/86/553298186.db2.gz OTRJNLYGMHDKQV-UHFFFAOYSA-N 0 0 522.561 3.931 50 0 KHAARN CCCN(CCC)C(=O)Cn1c2cc(C(=O)NCc3ccco3)ccc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000009692705 553298135 /nfs/dbraw/zinc/29/81/35/553298135.db2.gz FHJHRZPJHYQFLO-UHFFFAOYSA-N 0 0 516.598 3.632 50 0 KHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)n(C[C@@H]2CCCO2)c3=O)cc1 ZINC000009692740 553298324 /nfs/dbraw/zinc/29/83/24/553298324.db2.gz XTQFHWHSVVHOCY-DEOSSOPVSA-N 0 0 501.558 3.768 50 0 KHAARN Cc1ccc(CNC(=O)c2ccc3c(c2)n(Cc2cccc(F)c2)c(=O)n(C[C@H]2CCCO2)c3=O)cc1 ZINC000009692741 553298300 /nfs/dbraw/zinc/29/83/00/553298300.db2.gz XTQFHWHSVVHOCY-XMMPIXPASA-N 0 0 501.558 3.768 50 0 KHAARN CC(C)(C)C(=O)Cn1c2cc(C(=O)NC3CCCCC3)ccc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O ZINC000009692742 553298250 /nfs/dbraw/zinc/29/82/50/553298250.db2.gz FLOKPPYEUXWNTM-UHFFFAOYSA-N 0 0 519.598 3.618 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000009693652 553298658 /nfs/dbraw/zinc/29/86/58/553298658.db2.gz ZACFNYFHJOPGKN-UHFFFAOYSA-N 0 0 508.962 3.519 50 0 KHAARN CCN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O)c1ccccc1 ZINC000009693829 553299035 /nfs/dbraw/zinc/29/90/35/553299035.db2.gz YGNOPPOJPMHNTI-UHFFFAOYSA-N 0 0 524.687 3.748 50 0 KHAARN CCn1cc(C(=O)NCCCN(C)c2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000009693842 553299009 /nfs/dbraw/zinc/29/90/09/553299009.db2.gz RQIRZEXNMUUMEL-UHFFFAOYSA-N 0 0 524.687 3.698 50 0 KHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)o2)cc1OC ZINC000009693987 553299279 /nfs/dbraw/zinc/29/92/79/553299279.db2.gz FUNAHIVZUSOMCE-PSXMRANNSA-N 0 0 511.644 3.882 50 0 KHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(C)o2)cc1OC ZINC000009693988 553299284 /nfs/dbraw/zinc/29/92/84/553299284.db2.gz FUNAHIVZUSOMCE-BHVANESWSA-N 0 0 511.644 3.882 50 0 KHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C)o2)cc1OC ZINC000009693989 553299290 /nfs/dbraw/zinc/29/92/90/553299290.db2.gz ABLAJXVCDZRECI-HYRWFULMSA-N 0 0 511.644 3.962 50 0 KHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C)o2)cc1OC ZINC000009693990 553299266 /nfs/dbraw/zinc/29/92/66/553299266.db2.gz ABLAJXVCDZRECI-LRFXEURWSA-N 0 0 511.644 3.962 50 0 KHAARN Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21 ZINC000009694063 553299514 /nfs/dbraw/zinc/29/95/14/553299514.db2.gz FPXLFXXOJGORQP-UHFFFAOYSA-N 0 0 503.043 3.752 50 0 KHAARN c1c(CN(Cc2cn(Cc3ccccc3)nn2)Cc2cn(Cc3ccccc3)nn2)nnn1Cc1ccccc1 ZINC000009703949 553300364 /nfs/dbraw/zinc/30/03/64/553300364.db2.gz WKGZJBVXZWCZQC-UHFFFAOYSA-N 0 0 530.640 3.808 50 0 in-vitro KHAARN CCOCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000009720364 553300489 /nfs/dbraw/zinc/30/04/89/553300489.db2.gz LDOQFTJNHOYCNO-AREMUKBSSA-N 0 0 505.571 3.745 50 0 KHAARN CCOCCCNC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccn1 ZINC000009720365 553300509 /nfs/dbraw/zinc/30/05/09/553300509.db2.gz LDOQFTJNHOYCNO-SANMLTNESA-N 0 0 505.571 3.745 50 0 KHAARN Cc1c(NC(=O)CC(C)(C)CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)n(-c2ccccc2)n1C ZINC000009721024 553300871 /nfs/dbraw/zinc/30/08/71/553300871.db2.gz CNOGGHARYJNWQH-UHFFFAOYSA-N 0 0 507.610 3.717 50 0 KHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009722569 553301131 /nfs/dbraw/zinc/30/11/31/553301131.db2.gz MEOBSRBZJOOERR-FNORWQNLSA-N 0 0 515.613 3.661 50 0 KHAARN COCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000009722971 553301355 /nfs/dbraw/zinc/30/13/55/553301355.db2.gz QPRXNYIUGSVCHL-OONGNWCQSA-N 0 0 505.637 3.896 50 0 KHAARN 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CCn1cc(C(=O)NCCCSC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000009725788 553301805 /nfs/dbraw/zinc/30/18/05/553301805.db2.gz RUYBXTNVEDPLCB-UHFFFAOYSA-N 0 0 505.706 3.992 50 0 KHAARN CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000009726298 553301938 /nfs/dbraw/zinc/30/19/38/553301938.db2.gz AYQPSPJOPZMVGD-UHFFFAOYSA-N 0 0 525.627 3.633 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000009726430 553301905 /nfs/dbraw/zinc/30/19/05/553301905.db2.gz XZSOPVAIXTUMCU-SDORMZKBSA-N 0 0 515.657 3.592 50 0 KHAARN CCc1ccc(-c2cc3c(=O)n(CC(=O)N4CCN(c5cc(Cl)ccc5C)CC4)nc(C)n3n2)cc1 ZINC000009727697 553302138 /nfs/dbraw/zinc/30/21/38/553302138.db2.gz XJZAHVXZWXIHDN-UHFFFAOYSA-N 0 0 505.022 3.739 50 0 KHAARN CCOc1ccc(CCNC(=O)Cn2nc(C)n3nc(-c4ccc(CC)cc4)cc3c2=O)cc1OCC ZINC000009727741 553302134 /nfs/dbraw/zinc/30/21/34/553302134.db2.gz ZIYJIKNJADZUDF-UHFFFAOYSA-N 0 0 503.603 3.585 50 0 KHAARN 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NEHYUUJPXWDJJG-UHFFFAOYSA-N 0 0 553.460 3.774 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cc(C)cc4C)s3)cc2)CC1 ZINC000011852944 553346255 /nfs/dbraw/zinc/34/62/55/553346255.db2.gz UTFOLBCVHJRFOF-UHFFFAOYSA-N 0 0 502.618 3.628 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OC)cc4)cs3)cc2)CC1 ZINC000011852946 553346269 /nfs/dbraw/zinc/34/62/69/553346269.db2.gz JLPUBEOYHCPZBR-UHFFFAOYSA-N 0 0 530.628 3.534 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)CC1 ZINC000011852949 553346242 /nfs/dbraw/zinc/34/62/42/553346242.db2.gz RVWHNBLVLGLIJK-UHFFFAOYSA-N 0 0 506.631 3.587 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OC)c(OC)c4)cs3)cc2)CC1 ZINC000011852955 553346228 /nfs/dbraw/zinc/34/62/28/553346228.db2.gz QEQFHLAOCZDELV-UHFFFAOYSA-N 0 0 560.654 3.542 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4OC)cs3)cc2)CC1 ZINC000011852959 553346208 /nfs/dbraw/zinc/34/62/08/553346208.db2.gz YYQDRDMSXHFNEU-UHFFFAOYSA-N 0 0 530.628 3.534 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OC)c(C)c4)cs3)cc2)CC1 ZINC000011852960 553346183 /nfs/dbraw/zinc/34/61/83/553346183.db2.gz JSYDLIKHQSKZCX-UHFFFAOYSA-N 0 0 544.655 3.842 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OCC)cc4)cs3)cc2)CC1 ZINC000011852962 553346231 /nfs/dbraw/zinc/34/62/31/553346231.db2.gz QPRNEOSWIFASIA-UHFFFAOYSA-N 0 0 544.655 3.924 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)CC1 ZINC000011852963 553346258 /nfs/dbraw/zinc/34/62/58/553346258.db2.gz MMVHOUYWYUXCLA-UHFFFAOYSA-N 0 0 568.633 3.632 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCCC2 ZINC000011852965 553346194 /nfs/dbraw/zinc/34/61/94/553346194.db2.gz PCPLEDSHHIXZPL-UHFFFAOYSA-N 0 0 549.671 3.519 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CC[C@H](C)C2 ZINC000011852967 553346199 /nfs/dbraw/zinc/34/61/99/553346199.db2.gz YFKJIDNSZOQGMN-KRWDZBQOSA-N 0 0 563.698 3.765 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CC[C@@H](C)C2 ZINC000011852968 553346238 /nfs/dbraw/zinc/34/62/38/553346238.db2.gz YFKJIDNSZOQGMN-QGZVFWFLSA-N 0 0 563.698 3.765 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)cc2)CC1 ZINC000011852972 553346196 /nfs/dbraw/zinc/34/61/96/553346196.db2.gz WAJMGSBCNKGRRE-UHFFFAOYSA-N 0 0 560.654 3.542 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)CC1 ZINC000011852973 553346190 /nfs/dbraw/zinc/34/61/90/553346190.db2.gz MIJPIMRCLOVZJA-UHFFFAOYSA-N 0 0 533.610 3.945 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(-c4ccccc4)sc3C(=O)OC)cc2)CC1 ZINC000011852979 553346381 /nfs/dbraw/zinc/34/63/81/553346381.db2.gz SSQPEXCVMRXKCQ-UHFFFAOYSA-N 0 0 557.650 3.917 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3Sc4c(ccc5ccccc45)N3C)cc2)CC1 ZINC000011852981 553346419 /nfs/dbraw/zinc/34/64/19/553346419.db2.gz QAZIHECXZZQOSP-VWLOTQADSA-N 0 0 540.667 3.558 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3Sc4c(ccc5ccccc45)N3C)cc2)CC1 ZINC000011852982 553346397 /nfs/dbraw/zinc/34/63/97/553346397.db2.gz QAZIHECXZZQOSP-RUZDIDTESA-N 0 0 540.667 3.558 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CCCCC2 ZINC000011852985 553346384 /nfs/dbraw/zinc/34/63/84/553346384.db2.gz LCIOJRYWTADKMA-UHFFFAOYSA-N 0 0 563.698 3.909 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C)cc3C(=O)c3ccccc3)cc2)CC1 ZINC000011853069 553346387 /nfs/dbraw/zinc/34/63/87/553346387.db2.gz YIOWNMZPYDCHEV-UHFFFAOYSA-N 0 0 535.622 3.941 50 0 KHAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000011865623 553346659 /nfs/dbraw/zinc/34/66/59/553346659.db2.gz KUFSSQVABFCCRY-NRFANRHFSA-N 0 0 501.626 3.904 50 0 KHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867012 553347186 /nfs/dbraw/zinc/34/71/86/553347186.db2.gz SKYOLEKBFFJAAM-MNNSJKJDSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867013 553347114 /nfs/dbraw/zinc/34/71/14/553347114.db2.gz SKYOLEKBFFJAAM-KPURRNSFSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867014 553347153 /nfs/dbraw/zinc/34/71/53/553347153.db2.gz SKYOLEKBFFJAAM-ZTOMLWHTSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867015 553347117 /nfs/dbraw/zinc/34/71/17/553347117.db2.gz SKYOLEKBFFJAAM-PZGXJGMVSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000011867035 553347156 /nfs/dbraw/zinc/34/71/56/553347156.db2.gz FJBHSKLJPWEHOK-PBBNMVCDSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000011867036 553347132 /nfs/dbraw/zinc/34/71/32/553347132.db2.gz FJBHSKLJPWEHOK-ONOMSOESSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000011867037 553347178 /nfs/dbraw/zinc/34/71/78/553347178.db2.gz FJBHSKLJPWEHOK-LGGPFLRQSA-N 0 0 512.647 3.873 50 0 KHAARN CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000011867038 553347166 /nfs/dbraw/zinc/34/71/66/553347166.db2.gz FJBHSKLJPWEHOK-KCWXNJEJSA-N 0 0 512.647 3.873 50 0 KHAARN Cc1c2ccc(OCC(=O)NCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867041 553347308 /nfs/dbraw/zinc/34/73/08/553347308.db2.gz ZAJTZQFGVBCTKF-IPBJYNAHSA-N 0 0 532.637 3.731 50 0 biogenic KHAARN Cc1c2ccc(OCC(=O)NCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867042 553347294 /nfs/dbraw/zinc/34/72/94/553347294.db2.gz ZAJTZQFGVBCTKF-GTYOFVGBSA-N 0 0 532.637 3.731 50 0 biogenic KHAARN Cc1c2ccc(OCC(=O)N[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867043 553347299 /nfs/dbraw/zinc/34/72/99/553347299.db2.gz FICOEFSSZGPVNT-JYTFDMTESA-N 0 0 532.637 3.729 50 0 KHAARN Cc1c2ccc(OCC(=O)N[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867044 553347282 /nfs/dbraw/zinc/34/72/82/553347282.db2.gz FICOEFSSZGPVNT-ITESVNAYSA-N 0 0 532.637 3.729 50 0 KHAARN Cc1c2ccc(OCC(=O)N[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867045 553347285 /nfs/dbraw/zinc/34/72/85/553347285.db2.gz FICOEFSSZGPVNT-KOVHPOKXSA-N 0 0 532.637 3.729 50 0 KHAARN Cc1c2ccc(OCC(=O)N[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867046 553347305 /nfs/dbraw/zinc/34/73/05/553347305.db2.gz FICOEFSSZGPVNT-TWCQOYJRSA-N 0 0 532.637 3.729 50 0 KHAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)Cc3ccsc3)c(N3CCOCC3)nc2c1 ZINC000011871466 1066503917 /nfs/dbraw/zinc/50/39/17/1066503917.db2.gz DYMRYWRIQUFRTK-UHFFFAOYSA-N 0 0 522.671 3.725 50 0 KHAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3cccc4cccnc43)C2)nn1 ZINC000011872840 553348244 /nfs/dbraw/zinc/34/82/44/553348244.db2.gz BFQJJMOWWNQCBT-OFNKIYASSA-N 0 0 502.600 3.789 50 0 KHAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(OC)c(C)c3C)C2)nn1 ZINC000011881736 553348303 /nfs/dbraw/zinc/34/83/03/553348303.db2.gz OHYMVQSQIUVHJL-REWPJTCUSA-N 0 0 509.632 3.866 50 0 KHAARN Cc1cc(CN(C)C(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN(C)Cc2nonc2C)on1 ZINC000011881817 553348559 /nfs/dbraw/zinc/34/85/59/553348559.db2.gz ANJBXVBOVGPBSI-UHFFFAOYSA-N 0 0 519.558 3.740 50 0 KHAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000011904009 553348529 /nfs/dbraw/zinc/34/85/29/553348529.db2.gz FEKOGSIKBQXSEO-FQEVSTJZSA-N 0 0 503.001 3.719 50 0 KHAARN O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000011904011 553348494 /nfs/dbraw/zinc/34/84/94/553348494.db2.gz FEKOGSIKBQXSEO-HXUWFJFHSA-N 0 0 503.001 3.719 50 0 KHAARN COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccc(S(C)(=O)=O)cc1 ZINC000011906985 553348524 /nfs/dbraw/zinc/34/85/24/553348524.db2.gz KRMVWHGJCPNNCW-UHFFFAOYSA-N 0 0 502.570 3.873 50 0 KHAARN COc1cc2ncn(-c3cc(OCc4ccc(S(C)(=O)=O)cc4)c(C(=O)N(C)C)s3)c2cc1OC ZINC000011906987 553348538 /nfs/dbraw/zinc/34/85/38/553348538.db2.gz BZQRFXLGIMVJTE-UHFFFAOYSA-N 0 0 515.613 3.789 50 0 KHAARN COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccccc1S(C)(=O)=O ZINC000011906990 553348572 /nfs/dbraw/zinc/34/85/72/553348572.db2.gz NZWZZGFHQVULFS-UHFFFAOYSA-N 0 0 502.570 3.873 50 0 KHAARN COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)cc1 ZINC000011909968 1066503971 /nfs/dbraw/zinc/50/39/71/1066503971.db2.gz IMGATRCVUXCDBN-OAQYLSRUSA-N 0 0 501.631 3.558 50 0 KHAARN COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)cc1 ZINC000011909969 1066503892 /nfs/dbraw/zinc/50/38/92/1066503892.db2.gz IMGATRCVUXCDBN-NRFANRHFSA-N 0 0 501.631 3.558 50 0 KHAARN Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N(C)Cc5ccsc5)C4)c3C2=O)n1 ZINC000011911341 553348780 /nfs/dbraw/zinc/34/87/80/553348780.db2.gz RYZMXAGHAYOSDD-OAQYLSRUSA-N 0 0 505.644 3.733 50 0 KHAARN Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCC[C@H](C(=O)N(C)Cc5ccsc5)C4)c3C2=O)n1 ZINC000011911342 553348690 /nfs/dbraw/zinc/34/86/90/553348690.db2.gz RYZMXAGHAYOSDD-NRFANRHFSA-N 0 0 505.644 3.733 50 0 KHAARN COc1cc(CN(Cc2cccnc2)C(=O)Cn2nc(C)c3ccccc3c2=O)ccc1O[C@@H]1CCOC1 ZINC000011912344 553348696 /nfs/dbraw/zinc/34/86/96/553348696.db2.gz QKTUOOVOELUUQD-HSZRJFAPSA-N 0 0 514.582 3.505 50 0 KHAARN COc1cc(CN(Cc2cccnc2)C(=O)Cn2nc(C)c3ccccc3c2=O)ccc1O[C@H]1CCOC1 ZINC000011912345 553348761 /nfs/dbraw/zinc/34/87/61/553348761.db2.gz QKTUOOVOELUUQD-QHCPKHFHSA-N 0 0 514.582 3.505 50 0 KHAARN O=C(c1ccccc1-n1cccn1)N1CCN(c2cccc3c2C(=O)N(CCc2ccc(F)cc2)C3=O)CC1 ZINC000011912629 1066504014 /nfs/dbraw/zinc/50/40/14/1066504014.db2.gz HAMQZWSWGTXFSH-UHFFFAOYSA-N 0 0 523.568 3.813 50 0 KHAARN COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccccc2)ccc1OCCc1ccccn1 ZINC000011913060 1066503990 /nfs/dbraw/zinc/50/39/90/1066503990.db2.gz YYNCJHVXUXAMQJ-DEOSSOPVSA-N 0 0 509.628 3.571 50 0 KHAARN COC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1 ZINC000011913126 553349144 /nfs/dbraw/zinc/34/91/44/553349144.db2.gz GGPHMIRNDWVVSX-QFIPXVFZSA-N 0 0 509.990 3.517 50 0 KHAARN COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(N3CCOCC3)cc2)ccc1O[C@@H]1CCOC1 ZINC000011913302 1066503713 /nfs/dbraw/zinc/50/37/13/1066503713.db2.gz SHPWLIHAIYTTPN-AREMUKBSSA-N 0 0 503.599 3.937 50 0 KHAARN COc1cc(CN(Cc2cccnc2)C(=O)c2ccc(N3CCOCC3)cc2)ccc1O[C@H]1CCOC1 ZINC000011913303 1066503908 /nfs/dbraw/zinc/50/39/08/1066503908.db2.gz SHPWLIHAIYTTPN-SANMLTNESA-N 0 0 503.599 3.937 50 0 KHAARN COc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2N(Cc2ccco2)Cc2ccccc2OC)cc1 ZINC000011913907 553349342 /nfs/dbraw/zinc/34/93/42/553349342.db2.gz HBUANEZIGDOMBC-UHFFFAOYSA-N 0 0 522.583 3.949 50 0 KHAARN COCc1ccc(C(=O)N(Cc2ccc(OCCc3ccccn3)c(OC)c2)[C@H]2CCCCNC2=O)o1 ZINC000011965851 553349708 /nfs/dbraw/zinc/34/97/08/553349708.db2.gz RIDTUPAMSJTJSD-QHCPKHFHSA-N 0 0 507.587 3.762 50 0 KHAARN Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)c4ccc(Oc5ccccc5)o4)CC3)c2C1=O ZINC000011981783 1066503853 /nfs/dbraw/zinc/50/38/53/1066503853.db2.gz YWBRLKMBPGGLPK-UHFFFAOYSA-N 0 0 525.565 3.872 50 0 KHAARN COc1ccc(Cl)cc1S(=O)(=O)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000011983349 1066503737 /nfs/dbraw/zinc/50/37/37/1066503737.db2.gz BHQZZTVUWDRCTM-UHFFFAOYSA-N 0 0 532.062 3.846 50 0 KHAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(OC)cc3OC)c(N3CCOCC3)nc2c1 ZINC000011999073 1066504216 /nfs/dbraw/zinc/50/42/16/1066504216.db2.gz JIOBYLUQXVPEPE-XMMPIXPASA-N 0 0 521.614 3.919 50 0 KHAARN Cn1c(SCc2ccccc2F)nnc1[C@@H](Cc1ccccc1)NC(=O)c1cnc2ccccn2c1=O ZINC000011999510 553349925 /nfs/dbraw/zinc/34/99/25/553349925.db2.gz HABVZHOSHSFTFM-JOCHJYFZSA-N 0 0 514.586 3.968 50 0 KHAARN Cn1c(SCc2ccccc2F)nnc1[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccn2c1=O ZINC000011999513 553349919 /nfs/dbraw/zinc/34/99/19/553349919.db2.gz HABVZHOSHSFTFM-QFIPXVFZSA-N 0 0 514.586 3.968 50 0 KHAARN O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1 ZINC000012028805 553350201 /nfs/dbraw/zinc/35/02/01/553350201.db2.gz WIATYIYOTFPZOJ-UHFFFAOYSA-N 0 0 500.599 3.816 50 0 KHAARN Cc1nonc1CN(C)Cc1cccc(OC2CCN(C(=O)c3cn(C)c4ccccc4c3=O)CC2)c1 ZINC000012036427 1066504281 /nfs/dbraw/zinc/50/42/81/1066504281.db2.gz LOUPGNQVDOPVHW-UHFFFAOYSA-N 0 0 501.587 3.546 50 0 KHAARN CCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038953 1066504246 /nfs/dbraw/zinc/50/42/46/1066504246.db2.gz CYBHSVJEXMXEQN-SANMLTNESA-N 0 0 519.646 3.947 50 0 KHAARN CCOC(=O)[C@H]1CCCCN1Cc1cccc(OC2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000012038958 1066504293 /nfs/dbraw/zinc/50/42/93/1066504293.db2.gz CYBHSVJEXMXEQN-AREMUKBSSA-N 0 0 519.646 3.947 50 0 KHAARN CN(Cc1ccon1)Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039676 553350418 /nfs/dbraw/zinc/35/04/18/553350418.db2.gz VGDHHNMQPJQLIK-JOCHJYFZSA-N 0 0 503.603 3.767 50 0 KHAARN CN(Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3)C2)cc1 ZINC000012039681 553350395 /nfs/dbraw/zinc/35/03/95/553350395.db2.gz VGDHHNMQPJQLIK-QFIPXVFZSA-N 0 0 503.603 3.767 50 0 KHAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C/C=C/c3ccccc3)C2)nn1 ZINC000012040722 553350499 /nfs/dbraw/zinc/35/04/99/553350499.db2.gz KCLKEHPKKXBZJG-OFKJGTHESA-N 0 0 513.520 3.729 50 0 KHAARN O=C(C1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012041846 553350496 /nfs/dbraw/zinc/35/04/96/553350496.db2.gz IHJZBCUNROXXPA-UHFFFAOYSA-N 0 0 562.070 3.559 50 0 KHAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C ZINC000012062810 553350848 /nfs/dbraw/zinc/35/08/48/553350848.db2.gz AQHPAHVQQPAUIK-KOSHJBKYSA-N 0 0 511.596 3.959 50 0 KHAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C ZINC000012062811 553350811 /nfs/dbraw/zinc/35/08/11/553350811.db2.gz AQHPAHVQQPAUIK-HOYKHHGWSA-N 0 0 511.596 3.959 50 0 KHAARN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C ZINC000012062812 553350840 /nfs/dbraw/zinc/35/08/40/553350840.db2.gz AQHPAHVQQPAUIK-UUOWRZLLSA-N 0 0 511.596 3.959 50 0 KHAARN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)ccc1OCCC(C)C ZINC000012062813 553350821 /nfs/dbraw/zinc/35/08/21/553350821.db2.gz AQHPAHVQQPAUIK-MHECFPHRSA-N 0 0 511.596 3.959 50 0 KHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000012062818 553350849 /nfs/dbraw/zinc/35/08/49/553350849.db2.gz YZEGCSMXFBVDBZ-KDOFPFPSSA-N 0 0 508.777 3.941 50 0 KHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1[C@H]1CCS(=O)(=O)C1 ZINC000012062819 553350836 /nfs/dbraw/zinc/35/08/36/553350836.db2.gz YZEGCSMXFBVDBZ-KSSFIOAISA-N 0 0 508.777 3.941 50 0 KHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000012062820 553350850 /nfs/dbraw/zinc/35/08/50/553350850.db2.gz YZEGCSMXFBVDBZ-RDTXWAMCSA-N 0 0 508.777 3.941 50 0 KHAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Br)cc2)N1[C@H]1CCS(=O)(=O)C1 ZINC000012062821 553350861 /nfs/dbraw/zinc/35/08/61/553350861.db2.gz YZEGCSMXFBVDBZ-KBXCAEBGSA-N 0 0 508.777 3.941 50 0 KHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Br)cc1)N([C@@H]1CCS(=O)(=O)C1)C3=O ZINC000012062822 553350826 /nfs/dbraw/zinc/35/08/26/553350826.db2.gz ACGWBPWTYDQJHG-UZLBHIALSA-N 0 0 502.386 3.905 50 0 KHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Br)cc1)N([C@H]1CCS(=O)(=O)C1)C3=O ZINC000012062823 553350857 /nfs/dbraw/zinc/35/08/57/553350857.db2.gz ACGWBPWTYDQJHG-JXFKEZNVSA-N 0 0 502.386 3.905 50 0 KHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Br)cc1)N([C@@H]1CCS(=O)(=O)C1)C3=O ZINC000012062824 553350859 /nfs/dbraw/zinc/35/08/59/553350859.db2.gz ACGWBPWTYDQJHG-OXQOHEQNSA-N 0 0 502.386 3.905 50 0 KHAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Br)cc1)N([C@H]1CCS(=O)(=O)C1)C3=O ZINC000012062825 553350856 /nfs/dbraw/zinc/35/08/56/553350856.db2.gz ACGWBPWTYDQJHG-OXJNMPFZSA-N 0 0 502.386 3.905 50 0 KHAARN O=C(COc1ccc(Cl)cc1Cl)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000012071444 553350838 /nfs/dbraw/zinc/35/08/38/553350838.db2.gz FXRFRPBSUYWLIL-UHFFFAOYSA-N 0 0 506.777 3.797 50 0 KHAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCn1ncc2c1ncn(Cc1cccc(Cl)c1)c2=O ZINC000012071447 553350851 /nfs/dbraw/zinc/35/08/51/553350851.db2.gz PDHHJFANBZMFBC-UHFFFAOYSA-N 0 0 500.386 3.922 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1F)c2=O ZINC000012071626 553351103 /nfs/dbraw/zinc/35/11/03/553351103.db2.gz YNSIEEDBXPDXKO-UHFFFAOYSA-N 0 0 506.925 3.827 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1ccc(F)cc1)c2=O ZINC000012071774 553351112 /nfs/dbraw/zinc/35/11/12/553351112.db2.gz SBGIVYWSWRJGFP-UHFFFAOYSA-N 0 0 506.925 3.827 50 0 KHAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ncc2c1ncn(Cc1ccccc1C)c2=O ZINC000012072185 553351046 /nfs/dbraw/zinc/35/10/46/553351046.db2.gz OTWFZAFWNRKIIG-UHFFFAOYSA-N 0 0 502.962 3.997 50 0 KHAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCc5ccc(Cl)cc5)C4)c3C2=O)cnn1C ZINC000012097761 553351240 /nfs/dbraw/zinc/35/12/40/553351240.db2.gz XNUXINYAFIUEPY-LJQANCHMSA-N 0 0 506.006 3.711 50 0 KHAARN Cc1c(CN2C(=O)c3cccc(N4CCC[C@H](C(=O)NCc5ccc(Cl)cc5)C4)c3C2=O)cnn1C ZINC000012097764 553351211 /nfs/dbraw/zinc/35/12/11/553351211.db2.gz XNUXINYAFIUEPY-IBGZPJMESA-N 0 0 506.006 3.711 50 0 KHAARN Cc1c(CN2C(=O)c3cccc(N4CCN(C(=O)Cc5cccc6ccccc65)CC4)c3C2=O)cnn1C ZINC000012098641 1066504338 /nfs/dbraw/zinc/50/43/38/1066504338.db2.gz GKFQCDBOZNNOEK-UHFFFAOYSA-N 0 0 507.594 3.569 50 0 KHAARN COc1cccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(OC)cc3nc2N2CCOCC2)c1 ZINC000012099124 1066504351 /nfs/dbraw/zinc/50/43/51/1066504351.db2.gz CVXVOSSBLXWLTA-UHFFFAOYSA-N 0 0 532.641 3.744 50 0 KHAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)Cc5cccc(C)c5)CC4)c3C2=O)c1OC ZINC000012099302 553351201 /nfs/dbraw/zinc/35/12/01/553351201.db2.gz DOSIKDHHQIHKHA-UHFFFAOYSA-N 0 0 513.594 3.700 50 0 KHAARN COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)/C=C/c1ccc(OC)cc1 ZINC000012127094 1066504232 /nfs/dbraw/zinc/50/42/32/1066504232.db2.gz JDPBMPPMYFNSQY-KPKJPENVSA-N 0 0 532.641 3.609 50 0 KHAARN Cc1nc(C(=O)N(CCCN2CCCC2=O)Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)cs1 ZINC000012129431 1066504902 /nfs/dbraw/zinc/50/49/02/1066504902.db2.gz SLWWSSVYWDNQNP-UHFFFAOYSA-N 0 0 533.698 3.980 50 0 KHAARN O=C(CCC(=O)OCCc1ccccc1)NCCCCCCNC(=O)CCC(=O)OCCc1ccccc1 ZINC000012137175 553351876 /nfs/dbraw/zinc/35/18/76/553351876.db2.gz MSVJFQUOSVZNNL-UHFFFAOYSA-N 0 0 524.658 3.911 50 0 KHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 ZINC000012137254 553351903 /nfs/dbraw/zinc/35/19/03/553351903.db2.gz BIWGZFXOXNIXRE-UHFFFAOYSA-N 0 0 525.652 3.891 50 0 KHAARN O=C(CCC(=O)OCCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000012137258 553351901 /nfs/dbraw/zinc/35/19/01/553351901.db2.gz TXTNXBQYMCCLRK-UHFFFAOYSA-N 0 0 525.652 3.544 50 0 KHAARN O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000012137366 553351911 /nfs/dbraw/zinc/35/19/11/553351911.db2.gz JESSXYUQSWDMOT-NRFANRHFSA-N 0 0 511.644 3.755 50 0 KHAARN O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000012137367 553351851 /nfs/dbraw/zinc/35/18/51/553351851.db2.gz JESSXYUQSWDMOT-OAQYLSRUSA-N 0 0 511.644 3.755 50 0 KHAARN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)cc3)c(=O)[nH]2)c1C ZINC000012140419 553352330 /nfs/dbraw/zinc/35/23/30/553352330.db2.gz MKAPOUAOXIFSAA-UHFFFAOYSA-N 0 0 502.394 3.715 50 0 KHAARN Cc1ccc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)cc3)c(=O)[nH]2)c1 ZINC000012140420 553352327 /nfs/dbraw/zinc/35/23/27/553352327.db2.gz OTXOLHPINWPJGF-UHFFFAOYSA-N 0 0 502.394 3.715 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)cc3)c(=O)[nH]2)c(C)c1 ZINC000012140421 553352287 /nfs/dbraw/zinc/35/22/87/553352287.db2.gz SMJWAXZNBLTBSD-UHFFFAOYSA-N 0 0 502.394 3.715 50 0 KHAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000012149735 1066504723 /nfs/dbraw/zinc/50/47/23/1066504723.db2.gz XNXWQBJXNDHKGU-QHCPKHFHSA-N 0 0 505.571 3.630 50 0 KHAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000012149736 1066504846 /nfs/dbraw/zinc/50/48/46/1066504846.db2.gz XNXWQBJXNDHKGU-HSZRJFAPSA-N 0 0 505.571 3.630 50 0 KHAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)Cc5cccc(F)c5)CC4)c3C2=O)c1OC ZINC000012150095 553352507 /nfs/dbraw/zinc/35/25/07/553352507.db2.gz MOSHNFALBVIKLZ-UHFFFAOYSA-N 0 0 517.557 3.530 50 0 KHAARN COc1cccc(CCN2C(=O)c3cccc(N4CCC(C(=O)N(C)Cc5cscn5)CC4)c3C2=O)c1 ZINC000012151824 553352556 /nfs/dbraw/zinc/35/25/56/553352556.db2.gz QSDKIIVMXTUXRY-UHFFFAOYSA-N 0 0 518.639 3.865 50 0 KHAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc4ncccc4c3)C2)nn1 ZINC000012152444 553352843 /nfs/dbraw/zinc/35/28/43/553352843.db2.gz BFVOIJIBBLLTEW-YKSBVNFPSA-N 0 0 502.600 3.789 50 0 KHAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000012152985 553352832 /nfs/dbraw/zinc/35/28/32/553352832.db2.gz VPYFSJRFGDONLA-UHFFFAOYSA-N 0 0 515.639 3.505 50 0 KHAARN CCc1ccc(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000012154689 553353025 /nfs/dbraw/zinc/35/30/25/553353025.db2.gz WWGZEIKHAYVFKR-GGAORHGYSA-N 0 0 515.536 3.778 50 0 KHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)cc1OC ZINC000012159009 553352968 /nfs/dbraw/zinc/35/29/68/553352968.db2.gz BLDCAMMRNHFZKG-NHCUHLMSSA-N 0 0 535.641 3.790 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)cc1OC ZINC000012159016 553353048 /nfs/dbraw/zinc/35/30/48/553353048.db2.gz BLDCAMMRNHFZKG-LEWJYISDSA-N 0 0 535.641 3.790 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166778 553353250 /nfs/dbraw/zinc/35/32/50/553353250.db2.gz IYNIYFUQMTUOMN-RCXJIHSJSA-N 0 0 510.681 3.887 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc4ccccc4c3)C2)cc1 ZINC000012166784 553353227 /nfs/dbraw/zinc/35/32/27/553353227.db2.gz IYNIYFUQMTUOMN-DFCKQENNSA-N 0 0 510.681 3.887 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3.589 50 0 KHAARN C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000012380868 553362102 /nfs/dbraw/zinc/36/21/02/553362102.db2.gz ZEDPGEZUYHDTIO-SFHVURJKSA-N 0 0 517.629 3.668 50 0 KHAARN C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000012380904 553362044 /nfs/dbraw/zinc/36/20/44/553362044.db2.gz IYVXJVVIUYHDPF-FQEVSTJZSA-N 0 0 523.611 3.745 50 0 KHAARN C[C@H](C(=O)Nc1ccccc1C(=O)N1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000012380905 553362124 /nfs/dbraw/zinc/36/21/24/553362124.db2.gz IYVXJVVIUYHDPF-HXUWFJFHSA-N 0 0 523.611 3.745 50 0 KHAARN COc1ccc(CCN2C(=O)N[C@@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000012381677 553362116 /nfs/dbraw/zinc/36/21/16/553362116.db2.gz AFUZICOSHXTYHJ-XMMPIXPASA-N 0 0 507.509 3.784 50 0 KHAARN COc1ccc(CCN2C(=O)N[C@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000012381678 553362126 /nfs/dbraw/zinc/36/21/26/553362126.db2.gz AFUZICOSHXTYHJ-DEOSSOPVSA-N 0 0 507.509 3.784 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)cc1OC ZINC000012382620 553362233 /nfs/dbraw/zinc/36/22/33/553362233.db2.gz HOLVEWXPECNKCC-UHFFFAOYSA-N 0 0 511.600 3.919 50 0 KHAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012382665 553362199 /nfs/dbraw/zinc/36/21/99/553362199.db2.gz OZEJXHFDKCQDDI-UHFFFAOYSA-N 0 0 507.656 3.686 50 0 KHAARN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1 ZINC000012383909 553362160 /nfs/dbraw/zinc/36/21/60/553362160.db2.gz FTHNTFDEEUYCSE-INIZCTEOSA-N 0 0 502.976 3.803 50 0 KHAARN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1)c1ccccc1 ZINC000012383910 553362178 /nfs/dbraw/zinc/36/21/78/553362178.db2.gz FTHNTFDEEUYCSE-MRXNPFEDSA-N 0 0 502.976 3.803 50 0 KHAARN COc1ccc(CCNC(=O)c2cc3c(n(-c4ccccc4OC)c2=O)CC(C)(C)CC3=O)cc1OC ZINC000012402467 553362821 /nfs/dbraw/zinc/36/28/21/553362821.db2.gz BOLRAKVLQPHDFI-UHFFFAOYSA-N 0 0 504.583 3.991 50 0 KHAARN CCOC(=O)c1cc2c(n(-c3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3)c1=O)CCCC2=O ZINC000012410859 553363173 /nfs/dbraw/zinc/36/31/73/553363173.db2.gz TWJHRHXJSUHLNV-UHFFFAOYSA-N 0 0 518.566 3.523 50 0 KHAARN CCCS(=O)(=O)c1c(C(=O)c2ccc(OC(C)C)cc2)n2cccc(N)c2c1S(=O)(=O)CCC ZINC000012411386 553363317 /nfs/dbraw/zinc/36/33/17/553363317.db2.gz GGXOPILRKHMPMQ-UHFFFAOYSA-N 0 0 506.646 3.907 50 0 KHAARN CCOc1ccc(CCNS(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)cc1OCC ZINC000012412207 553363805 /nfs/dbraw/zinc/36/38/05/553363805.db2.gz GTKBUABZCIHNAX-UHFFFAOYSA-N 0 0 507.572 3.880 50 0 KHAARN CCOC(=O)[C@@](NC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)(OCC(F)(F)F)C(F)(F)F ZINC000012412215 553363773 /nfs/dbraw/zinc/36/37/73/553363773.db2.gz DUJQTYVYAVDNSX-QGZVFWFLSA-N 0 0 506.421 3.936 50 0 KHAARN CCOc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000012412484 553363930 /nfs/dbraw/zinc/36/39/30/553363930.db2.gz UWXRZUPBDAZUAA-UHFFFAOYSA-N 0 0 512.628 3.965 50 0 KHAARN CCOC(=O)C1=C(CN(Cc2cccnc2)C(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000012412621 553364147 /nfs/dbraw/zinc/36/41/47/553364147.db2.gz ITQXLQLUPFIJOD-RUZDIDTESA-N 0 0 518.545 3.743 50 0 KHAARN CCOC(=O)C1=C(CN(Cc2cccnc2)C(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000012412623 553364086 /nfs/dbraw/zinc/36/40/86/553364086.db2.gz ITQXLQLUPFIJOD-VWLOTQADSA-N 0 0 518.545 3.743 50 0 KHAARN CCOC(=O)C1=C(CN(Cc2cccnc2)C(=O)c2cccc(F)c2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000012412627 553364164 /nfs/dbraw/zinc/36/41/64/553364164.db2.gz DHAZGJKLRWCOGA-XMMPIXPASA-N 0 0 506.509 3.874 50 0 KHAARN CCOC(=O)C1=C(CN(Cc2cccnc2)C(=O)c2cccc(F)c2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000012412630 553364135 /nfs/dbraw/zinc/36/41/35/553364135.db2.gz DHAZGJKLRWCOGA-DEOSSOPVSA-N 0 0 506.509 3.874 50 0 KHAARN CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)cc1OC ZINC000012413609 553364480 /nfs/dbraw/zinc/36/44/80/553364480.db2.gz UKAIBEITRDJJGI-UHFFFAOYSA-N 0 0 508.516 3.940 50 0 KHAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012413668 553364540 /nfs/dbraw/zinc/36/45/40/553364540.db2.gz QNTYZYVAYFNLAP-BALBBAFXSA-N 0 0 506.680 3.813 50 0 KHAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000012413671 553364528 /nfs/dbraw/zinc/36/45/28/553364528.db2.gz QNTYZYVAYFNLAP-ZFGQVMFLSA-N 0 0 506.680 3.813 50 0 KHAARN CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012413681 553364696 /nfs/dbraw/zinc/36/46/96/553364696.db2.gz AZYINLWWYGYKCB-UHFFFAOYSA-N 0 0 504.498 3.629 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000012416543 553365052 /nfs/dbraw/zinc/36/50/52/553365052.db2.gz TXTDUYJAYZROHX-ASSGYOTOSA-N 0 0 511.603 3.891 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000012416546 553365097 /nfs/dbraw/zinc/36/50/97/553365097.db2.gz TXTDUYJAYZROHX-AREMUKBSSA-N 0 0 511.603 3.891 50 0 KHAARN 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CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nc(=O)cc(N)n2CCc2ccccc2)nc1C ZINC000012418489 553365407 /nfs/dbraw/zinc/36/54/07/553365407.db2.gz AISCUGVPNINJBA-INIZCTEOSA-N 0 0 501.634 3.519 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nc(=O)cc(N)n2CCc2ccccc2)nc1C ZINC000012418492 553365441 /nfs/dbraw/zinc/36/54/41/553365441.db2.gz AISCUGVPNINJBA-MRXNPFEDSA-N 0 0 501.634 3.519 50 0 KHAARN Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000012421531 553365862 /nfs/dbraw/zinc/36/58/62/553365862.db2.gz BTGJCKSOSSVPJL-UHFFFAOYSA-N 0 0 519.623 3.969 50 0 KHAARN Cn1c(CN2C[C@H](c3ccccc3)CC2=O)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012427809 553365835 /nfs/dbraw/zinc/36/58/35/553365835.db2.gz MMNVYVLSJNKFIO-MRXNPFEDSA-N 0 0 505.522 3.961 50 0 KHAARN Cn1c(CN2C[C@@H](c3ccccc3)CC2=O)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012427810 553365859 /nfs/dbraw/zinc/36/58/59/553365859.db2.gz MMNVYVLSJNKFIO-INIZCTEOSA-N 0 0 505.522 3.961 50 0 KHAARN Cn1c2cn(-c3cc(Br)c(N)c(Br)c3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000012428157 553366029 /nfs/dbraw/zinc/36/60/29/553366029.db2.gz UKSAAYSIOHMRRJ-UHFFFAOYSA-N 0 0 504.182 3.802 50 0 KHAARN O=C1C[C@H](N2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000012429082 553366253 /nfs/dbraw/zinc/36/62/53/553366253.db2.gz QGHSSYSDDFZVRT-SFHVURJKSA-N 0 0 508.210 3.827 50 0 KHAARN COc1cc(CN(C(=O)CCn2ccc(C)n2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000012456521 1066505784 /nfs/dbraw/zinc/50/57/84/1066505784.db2.gz WYGVPROUGPTHKR-QFIPXVFZSA-N 0 0 525.675 3.674 50 0 KHAARN CC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(S(N)(=O)=O)cc4)c3=O)c2c1-c1ccc(C)cc1 ZINC000012461937 553367085 /nfs/dbraw/zinc/36/70/85/553367085.db2.gz RHKMWZOWSRSNOK-UHFFFAOYSA-N 0 0 505.581 3.524 50 0 KHAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC4(CC2)OCCO4)C3=O)cc1Cl ZINC000012462301 553367314 /nfs/dbraw/zinc/36/73/14/553367314.db2.gz FFBIWQRJPXKFAF-RUZDIDTESA-N 0 0 500.020 3.724 50 0 KHAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC4(CC2)OCCO4)C3=O)cc1Cl ZINC000012462302 553367307 /nfs/dbraw/zinc/36/73/07/553367307.db2.gz FFBIWQRJPXKFAF-VWLOTQADSA-N 0 0 500.020 3.724 50 0 KHAARN CN(Cc1ccccc1)C(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000012463480 553367288 /nfs/dbraw/zinc/36/72/88/553367288.db2.gz XDGLIGSGSJVAPA-RUZDIDTESA-N 0 0 506.002 3.823 50 0 KHAARN O=C(NCCc1ccccc1)C1CCN(C(=O)[C@@H](C(=O)c2ccc(Cl)cc2)n2ccccc2=O)CC1 ZINC000012466930 553367464 /nfs/dbraw/zinc/36/74/64/553367464.db2.gz CLSJBKUUAFTLPL-RUZDIDTESA-N 0 0 506.002 3.523 50 0 KHAARN CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCC[NH+](CC)CC)cc3)c(=O)c2cc1OCC ZINC000012474025 553369783 /nfs/dbraw/zinc/36/97/83/553369783.db2.gz AHKUZMGSLDTPFX-UHFFFAOYSA-N 0 0 512.676 3.993 50 0 KHAARN CCCCN1C(=O)c2ccc(C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)cc4)C3=O)cc2C1=O ZINC000012482412 553375945 /nfs/dbraw/zinc/37/59/45/553375945.db2.gz DYEVSIQVPGCMKP-STZFKDTASA-N 0 0 507.568 3.558 50 0 KHAARN 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Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000012530855 553386020 /nfs/dbraw/zinc/38/60/20/553386020.db2.gz UINRWSGILFEGLS-FQEVSTJZSA-N 0 0 503.577 3.593 50 0 KHAARN CCCn1c2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000012531725 553386359 /nfs/dbraw/zinc/38/63/59/553386359.db2.gz QEJSYUMSGNXATO-UHFFFAOYSA-N 0 0 518.401 3.862 50 0 KHAARN O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1cccc(C(F)(F)F)c1 ZINC000012531782 553386375 /nfs/dbraw/zinc/38/63/75/553386375.db2.gz BJIABNAHRLMAPT-UHFFFAOYSA-N 0 0 501.508 3.598 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000012532498 553386765 /nfs/dbraw/zinc/38/67/65/553386765.db2.gz BLXJNDKKUYDFOZ-GOSISDBHSA-N 0 0 508.040 3.870 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000012532499 553386769 /nfs/dbraw/zinc/38/67/69/553386769.db2.gz BLXJNDKKUYDFOZ-SFHVURJKSA-N 0 0 508.040 3.870 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)c2)cc1 ZINC000012532597 553386837 /nfs/dbraw/zinc/38/68/37/553386837.db2.gz OUOXXYRWWNTNPE-UHFFFAOYSA-N 0 0 516.572 3.712 50 0 KHAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)c1 ZINC000012532662 553386805 /nfs/dbraw/zinc/38/68/05/553386805.db2.gz XCHSDGBAYAHVRR-UHFFFAOYSA-N 0 0 525.627 3.747 50 0 KHAARN C[C@@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012532756 553387021 /nfs/dbraw/zinc/38/70/21/553387021.db2.gz WIDHWFANIJFVOM-VGZDNEPHSA-N 0 0 520.991 3.827 50 0 KHAARN C[C@H](OC(=O)/C=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012532758 553386984 /nfs/dbraw/zinc/38/69/84/553386984.db2.gz WIDHWFANIJFVOM-DHINHOHASA-N 0 0 520.991 3.827 50 0 KHAARN CCOc1ccccc1N=C1SCC(C)(C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012532915 1066839466 /nfs/dbraw/zinc/83/94/66/1066839466.db2.gz IMFKVFYOHXLVIG-UHFFFAOYSA-N 0 0 503.646 3.762 50 0 KHAARN COc1ccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000012532948 553387146 /nfs/dbraw/zinc/38/71/46/553387146.db2.gz HJRCVFQXMVLBDR-UHFFFAOYSA-N 0 0 502.923 3.597 50 0 KHAARN COc1ccc(C2=NN(C(=O)COC(=O)CCS(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000012533106 553387122 /nfs/dbraw/zinc/38/71/22/553387122.db2.gz LFJAWJWYAARWKY-HSZRJFAPSA-N 0 0 510.568 3.682 50 0 KHAARN COc1ccc(C2=NN(C(=O)COC(=O)CCS(=O)(=O)c3ccc(C)cc3)[C@H](c3ccco3)C2)cc1 ZINC000012533107 553387186 /nfs/dbraw/zinc/38/71/86/553387186.db2.gz LFJAWJWYAARWKY-QHCPKHFHSA-N 0 0 510.568 3.682 50 0 KHAARN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)c2)cc1 ZINC000012533230 553387117 /nfs/dbraw/zinc/38/71/17/553387117.db2.gz DDRBVZJPDIUSHB-UHFFFAOYSA-N 0 0 513.572 3.606 50 0 KHAARN O=C(CSc1nc2ccccc2s1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012533378 553387354 /nfs/dbraw/zinc/38/73/54/553387354.db2.gz DTWXCOAGBMQPRL-UHFFFAOYSA-N 0 0 518.686 3.648 50 0 KHAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1S(=O)(=O)N(C)C ZINC000012533467 553387376 /nfs/dbraw/zinc/38/73/76/553387376.db2.gz PZAZQDBYIJPUCD-UHFFFAOYSA-N 0 0 508.021 3.952 50 0 KHAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1S(=O)(=O)N(C)C ZINC000012533595 553387422 /nfs/dbraw/zinc/38/74/22/553387422.db2.gz APSDJAKNWVAKPD-UHFFFAOYSA-N 0 0 508.021 3.952 50 0 KHAARN CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000012534581 553387637 /nfs/dbraw/zinc/38/76/37/553387637.db2.gz HFBKLNUMBAHGEB-UHFFFAOYSA-N 0 0 508.581 3.797 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CC)CC(=O)NCc3cccs3)cc2)cc1 ZINC000012536072 553387666 /nfs/dbraw/zinc/38/76/66/553387666.db2.gz PCRQPURVNKEONC-UHFFFAOYSA-N 0 0 501.630 3.726 50 0 KHAARN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)N2CCOCC2)cc1 ZINC000012536178 553387560 /nfs/dbraw/zinc/38/75/60/553387560.db2.gz GNHRLTZTZZPKML-AREMUKBSSA-N 0 0 509.628 3.608 50 0 KHAARN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)N2CCOCC2)cc1 ZINC000012536179 553387656 /nfs/dbraw/zinc/38/76/56/553387656.db2.gz GNHRLTZTZZPKML-SANMLTNESA-N 0 0 509.628 3.608 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(CC)CC(=O)NCc3cccs3)cc2)cc1 ZINC000012536205 553387647 /nfs/dbraw/zinc/38/76/47/553387647.db2.gz LQYGMBBPIAMARJ-UHFFFAOYSA-N 0 0 501.630 3.726 50 0 KHAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000012536241 553387858 /nfs/dbraw/zinc/38/78/58/553387858.db2.gz ZDZBNRXAUCJYHV-UHFFFAOYSA-N 0 0 509.584 3.799 50 0 KHAARN O=C(OCCOc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000012537450 553387838 /nfs/dbraw/zinc/38/78/38/553387838.db2.gz XTWXDHCOSKNHNB-UHFFFAOYSA-N 0 0 509.024 3.587 50 0 KHAARN O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000012537483 553387840 /nfs/dbraw/zinc/38/78/40/553387840.db2.gz OUPLTSAHHLENDS-VWLOTQADSA-N 0 0 508.596 3.991 50 0 KHAARN O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000012537485 553387829 /nfs/dbraw/zinc/38/78/29/553387829.db2.gz OUPLTSAHHLENDS-RUZDIDTESA-N 0 0 508.596 3.991 50 0 KHAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC000012537613 553387845 /nfs/dbraw/zinc/38/78/45/553387845.db2.gz IJXLVNJDRDFBHZ-UHFFFAOYSA-N 0 0 514.987 3.925 50 0 KHAARN COc1ccc(CNC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(Cl)cc2OC)cc1 ZINC000012537727 553387969 /nfs/dbraw/zinc/38/79/69/553387969.db2.gz WTVZBKCAXBAJQJ-UHFFFAOYSA-N 0 0 512.946 3.848 50 0 KHAARN CCc1cccc(CC)c1-n1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 ZINC000012537904 553388052 /nfs/dbraw/zinc/38/80/52/553388052.db2.gz KVMGBMNTZBONKD-OAQYLSRUSA-N 0 0 513.689 3.582 50 0 KHAARN CCc1cccc(CC)c1-n1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 ZINC000012537906 553388025 /nfs/dbraw/zinc/38/80/25/553388025.db2.gz KVMGBMNTZBONKD-NRFANRHFSA-N 0 0 513.689 3.582 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000012537908 553387993 /nfs/dbraw/zinc/38/79/93/553387993.db2.gz OUURFALRLPHJID-UHFFFAOYSA-N 0 0 513.959 3.774 50 0 KHAARN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC ZINC000012538170 553388031 /nfs/dbraw/zinc/38/80/31/553388031.db2.gz RBRRPHUOSWOGOB-UHFFFAOYSA-N 0 0 501.432 3.770 50 0 KHAARN C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012538340 553388234 /nfs/dbraw/zinc/38/82/34/553388234.db2.gz FNVUPBNIFISMSN-OAHLLOKOSA-N 0 0 501.992 3.692 50 0 KHAARN C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012538343 553388207 /nfs/dbraw/zinc/38/82/07/553388207.db2.gz FNVUPBNIFISMSN-HNNXBMFYSA-N 0 0 501.992 3.692 50 0 KHAARN CC(C)Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012538679 553388212 /nfs/dbraw/zinc/38/82/12/553388212.db2.gz GWHVJMCIJUCMLX-UHFFFAOYSA-N 0 0 535.736 3.553 50 0 KHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000012538683 553388242 /nfs/dbraw/zinc/38/82/42/553388242.db2.gz YOYPUMTYMQPAKE-UHFFFAOYSA-N 0 0 522.598 3.963 50 0 KHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1OC ZINC000012538799 553388250 /nfs/dbraw/zinc/38/82/50/553388250.db2.gz BPPNMYIFUYOENJ-UHFFFAOYSA-N 0 0 506.555 3.627 50 0 KHAARN CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1-c1ccccc1OC ZINC000012538845 553388367 /nfs/dbraw/zinc/38/83/67/553388367.db2.gz PBZFDGSARLNVGZ-UHFFFAOYSA-N 0 0 515.661 3.879 50 0 KHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012538949 553388338 /nfs/dbraw/zinc/38/83/38/553388338.db2.gz WPEPAZHSJGRFTD-PKNBQFBNSA-N 0 0 516.572 3.639 50 0 KHAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000012539304 553388538 /nfs/dbraw/zinc/38/85/38/553388538.db2.gz XABUVKYJPZPWSF-UHFFFAOYSA-N 0 0 511.478 3.986 50 0 KHAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)c1 ZINC000012539456 553388747 /nfs/dbraw/zinc/38/87/47/553388747.db2.gz UMKMXQUKAAZGON-UHFFFAOYSA-N 0 0 518.686 3.830 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)c1 ZINC000012539782 553388728 /nfs/dbraw/zinc/38/87/28/553388728.db2.gz QSRZSLYWNRMGRT-ZHZULCJRSA-N 0 0 522.048 3.837 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000012540308 553388862 /nfs/dbraw/zinc/38/88/62/553388862.db2.gz NSZNHODRPHYOQA-UHFFFAOYSA-N 0 0 514.556 3.699 50 0 KHAARN COc1ccc(NC(=O)CN(C)C(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cc1 ZINC000012540374 553388901 /nfs/dbraw/zinc/38/89/01/553388901.db2.gz BQCNWQMTBKVUQG-UHFFFAOYSA-N 0 0 504.996 3.541 50 0 KHAARN COc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000012540586 553388857 /nfs/dbraw/zinc/38/88/57/553388857.db2.gz LTMQNHTYWWUKSM-UHFFFAOYSA-N 0 0 508.640 3.597 50 0 KHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3cc(C)c(C)cc3C)CC2)cc1 ZINC000012541007 553389099 /nfs/dbraw/zinc/38/90/99/553389099.db2.gz TVPOUSUQFLJNQS-UHFFFAOYSA-N 0 0 501.601 3.615 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000012541138 553389202 /nfs/dbraw/zinc/38/92/02/553389202.db2.gz VYXRYFBMWFTBCY-UHFFFAOYSA-N 0 0 507.568 3.615 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000012541149 553389239 /nfs/dbraw/zinc/38/92/39/553389239.db2.gz ZYBTYRDTEXNYES-NRFANRHFSA-N 0 0 507.612 3.898 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000012541150 553389245 /nfs/dbraw/zinc/38/92/45/553389245.db2.gz ZYBTYRDTEXNYES-OAQYLSRUSA-N 0 0 507.612 3.898 50 0 KHAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012541158 553389235 /nfs/dbraw/zinc/38/92/35/553389235.db2.gz CNMMUFQSROOCPU-UHFFFAOYSA-N 0 0 510.971 3.799 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)[C@@H]2COc3ccccc3O2)cc1OC ZINC000012541160 553389198 /nfs/dbraw/zinc/38/91/98/553389198.db2.gz BIVSRTCJJSIUPL-MBSDFSHPSA-N 0 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CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012570295 553398243 /nfs/dbraw/zinc/39/82/43/553398243.db2.gz RYZKMZABKSEBHV-UHFFFAOYSA-N 0 0 523.007 3.877 50 0 KHAARN O=C1NCCCC[C@@H]1N(Cc1ccc(OCc2ccccn2)cc1)S(=O)(=O)c1ccc(F)cc1F ZINC000012571389 1066506140 /nfs/dbraw/zinc/50/61/40/1066506140.db2.gz QMAVMSIPIGLZDZ-QHCPKHFHSA-N 0 0 501.555 3.798 50 0 KHAARN CCOc1ccccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012575920 553398657 /nfs/dbraw/zinc/39/86/57/553398657.db2.gz GWCIBDGLWLCHRQ-OAHLLOKOSA-N 0 0 519.973 3.773 50 0 KHAARN CCOc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012575927 553398662 /nfs/dbraw/zinc/39/86/62/553398662.db2.gz GWCIBDGLWLCHRQ-HNNXBMFYSA-N 0 0 519.973 3.773 50 0 KHAARN COc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1S(=O)(=O)N1CCOCC1 ZINC000012578039 553398637 /nfs/dbraw/zinc/39/86/37/553398637.db2.gz IWSNQMMDVRDQES-UHFFFAOYSA-N 0 0 515.585 3.893 50 0 KHAARN CCOC(=O)Nc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)cc(=O)oc2c1 ZINC000012578749 553398904 /nfs/dbraw/zinc/39/89/04/553398904.db2.gz QYDNISMLVRVVCI-UHFFFAOYSA-N 0 0 502.545 3.749 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCCCn2c3ccccc3[nH]c2=O)c1 ZINC000012578821 553398839 /nfs/dbraw/zinc/39/88/39/553398839.db2.gz AFMCEVCKFPMOPC-UHFFFAOYSA-N 0 0 514.648 3.598 50 0 KHAARN Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc2c1=O ZINC000012582352 553399262 /nfs/dbraw/zinc/39/92/62/553399262.db2.gz LAOKIPGVCOYAHV-UHFFFAOYSA-N 0 0 508.625 3.675 50 0 KHAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1S(=O)(=O)N1CCOCC1 ZINC000012582387 553399291 /nfs/dbraw/zinc/39/92/91/553399291.db2.gz UBJBDJLXOUIBNT-UHFFFAOYSA-N 0 0 518.686 3.630 50 0 KHAARN O=[N+]([O-])c1ccc(N=NC2C[C@@H](c3ccccc3)Oc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012586734 1066839460 /nfs/dbraw/zinc/83/94/60/1066839460.db2.gz ARLIQCJGXINLHO-DEOSSOPVSA-N 0 0 508.556 3.956 50 0 KHAARN O=[N+]([O-])c1ccc(N=NC2C[C@H](c3ccccc3)Oc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012586738 1066839278 /nfs/dbraw/zinc/83/92/78/1066839278.db2.gz ARLIQCJGXINLHO-XMMPIXPASA-N 0 0 508.556 3.956 50 0 KHAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000012586775 553399878 /nfs/dbraw/zinc/39/98/78/553399878.db2.gz UMTXMZMFQQHLPP-UHFFFAOYSA-N 0 0 507.593 3.812 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012587210 553399868 /nfs/dbraw/zinc/39/98/68/553399868.db2.gz PSKWNCOMRLVPAV-UHFFFAOYSA-N 0 0 500.598 3.865 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000012588865 553400036 /nfs/dbraw/zinc/40/00/36/553400036.db2.gz FKJUTUIKYSSCCM-UHFFFAOYSA-N 0 0 507.481 3.502 50 0 KHAARN COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000012589379 553400026 /nfs/dbraw/zinc/40/00/26/553400026.db2.gz IGWVESSNGYZKNK-UHFFFAOYSA-N 0 0 520.538 3.912 50 0 KHAARN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000012589818 553400249 /nfs/dbraw/zinc/40/02/49/553400249.db2.gz YYJVBZADXVVXHN-XMMPIXPASA-N 0 0 508.999 3.611 50 0 KHAARN CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000012589822 553400204 /nfs/dbraw/zinc/40/02/04/553400204.db2.gz YYJVBZADXVVXHN-DEOSSOPVSA-N 0 0 508.999 3.611 50 0 KHAARN O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1ccccc1Br ZINC000012591082 553400372 /nfs/dbraw/zinc/40/03/72/553400372.db2.gz GZZIBLVMNIIGRC-UHFFFAOYSA-N 0 0 500.326 3.622 50 0 KHAARN O=C(COC(=O)c1cccnc1SCC(=O)NCCCc1ccccc1)NCCCc1ccccc1 ZINC000012591104 553400390 /nfs/dbraw/zinc/40/03/90/553400390.db2.gz NRSXTOXRRGBWFL-UHFFFAOYSA-N 0 0 505.640 3.829 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000012591111 553400431 /nfs/dbraw/zinc/40/04/31/553400431.db2.gz NNCKXUQHKWLHQX-UHFFFAOYSA-N 0 0 505.902 3.724 50 0 KHAARN Cc1ccccc1-n1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nnc1-c1cccnc1 ZINC000012591787 553400624 /nfs/dbraw/zinc/40/06/24/553400624.db2.gz JZSWAYMRXUKCQA-UHFFFAOYSA-N 0 0 508.629 3.619 50 0 KHAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc3ccccc3c2=O)c1 ZINC000012591913 553400609 /nfs/dbraw/zinc/40/06/09/553400609.db2.gz OWIOFZYEVDLSFM-UHFFFAOYSA-N 0 0 522.652 3.984 50 0 KHAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 ZINC000012599508 553400882 /nfs/dbraw/zinc/40/08/82/553400882.db2.gz UGHYNXZARXXQDX-OAQYLSRUSA-N 0 0 515.975 3.718 50 0 KHAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 ZINC000012599510 553400848 /nfs/dbraw/zinc/40/08/48/553400848.db2.gz UGHYNXZARXXQDX-NRFANRHFSA-N 0 0 515.975 3.718 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)o2)c1 ZINC000012599731 553400974 /nfs/dbraw/zinc/40/09/74/553400974.db2.gz VQXYYIUPDREZSI-SFHVURJKSA-N 0 0 502.662 3.997 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)o2)c1 ZINC000012599733 553401001 /nfs/dbraw/zinc/40/10/01/553401001.db2.gz VQXYYIUPDREZSI-GOSISDBHSA-N 0 0 502.662 3.997 50 0 KHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000012599879 553400993 /nfs/dbraw/zinc/40/09/93/553400993.db2.gz CHJPERKVLDCSLU-HSZRJFAPSA-N 0 0 505.571 3.577 50 0 KHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 ZINC000012599881 553401008 /nfs/dbraw/zinc/40/10/08/553401008.db2.gz CHJPERKVLDCSLU-QHCPKHFHSA-N 0 0 505.571 3.577 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000012600015 553401289 /nfs/dbraw/zinc/40/12/89/553401289.db2.gz UMFDPGJJGZUTAI-RDPSFJRHSA-N 0 0 503.646 3.902 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000012600016 553401275 /nfs/dbraw/zinc/40/12/75/553401275.db2.gz UMFDPGJJGZUTAI-YKSBVNFPSA-N 0 0 503.646 3.902 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000012600017 553401278 /nfs/dbraw/zinc/40/12/78/553401278.db2.gz UMFDPGJJGZUTAI-GBXCKJPGSA-N 0 0 503.646 3.902 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000012600019 553401270 /nfs/dbraw/zinc/40/12/70/553401270.db2.gz UMFDPGJJGZUTAI-HYBUGGRVSA-N 0 0 503.646 3.902 50 0 KHAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000012600224 553401299 /nfs/dbraw/zinc/40/12/99/553401299.db2.gz QIBYJYQJMMTSHC-GOSISDBHSA-N 0 0 519.522 3.981 50 0 KHAARN Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000012600226 553401287 /nfs/dbraw/zinc/40/12/87/553401287.db2.gz QIBYJYQJMMTSHC-SFHVURJKSA-N 0 0 519.522 3.981 50 0 KHAARN COc1ccc(CCNC(=O)C(=Cc2cccc(OC)c2OC)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000012600475 553401350 /nfs/dbraw/zinc/40/13/50/553401350.db2.gz CZHLGKHJQCLOGW-UHFFFAOYSA-N 0 0 518.610 3.822 50 0 KHAARN Cc1cccc(-n2c(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)nc3ccccc3c2=O)c1C ZINC000012600780 553401653 /nfs/dbraw/zinc/40/16/53/553401653.db2.gz TUYPDNKJVRTLQT-UHFFFAOYSA-N 0 0 522.652 3.984 50 0 KHAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012600809 553401649 /nfs/dbraw/zinc/40/16/49/553401649.db2.gz RFZPVIMFXJSYEX-UHFFFAOYSA-N 0 0 516.403 3.554 50 0 KHAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(S(=O)(=O)N3CCCC3)cc1)n2CC ZINC000012600833 553401645 /nfs/dbraw/zinc/40/16/45/553401645.db2.gz RVCSQUNECZBBTH-UHFFFAOYSA-N 0 0 516.645 3.748 50 0 KHAARN O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012600835 553401632 /nfs/dbraw/zinc/40/16/32/553401632.db2.gz CHOHDDJYXPSHFF-HMMYKYKNSA-N 0 0 518.638 3.553 50 0 KHAARN COC(=O)c1ccccc1NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000012600967 553401648 /nfs/dbraw/zinc/40/16/48/553401648.db2.gz YTBVGFUTARHVIY-DEOSSOPVSA-N 0 0 517.513 3.617 50 0 KHAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012601348 553401877 /nfs/dbraw/zinc/40/18/77/553401877.db2.gz ZQFFBMDUHXYPTH-UHFFFAOYSA-N 0 0 512.968 3.510 50 0 KHAARN COc1ccccc1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000012602955 553402021 /nfs/dbraw/zinc/40/20/21/553402021.db2.gz XDETZUSSOBSICD-JOCHJYFZSA-N 0 0 517.445 3.706 50 0 KHAARN COc1ccccc1CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000012602960 553402000 /nfs/dbraw/zinc/40/20/00/553402000.db2.gz XDETZUSSOBSICD-QFIPXVFZSA-N 0 0 517.445 3.706 50 0 KHAARN Nc1c(N(Cc2ccccc2)C(=O)c2ccc(Br)cc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012602989 553402035 /nfs/dbraw/zinc/40/20/35/553402035.db2.gz DFZJZIZAKYZDJZ-UHFFFAOYSA-N 0 0 505.372 3.777 50 0 KHAARN COc1ccc(CCNC(=O)C(=Cc2ccc(OC)c(OC)c2)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000012604614 553402167 /nfs/dbraw/zinc/40/21/67/553402167.db2.gz IXCNXFNHSKAVED-UHFFFAOYSA-N 0 0 518.610 3.822 50 0 KHAARN Cn1c2ccccc2c(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1-c1ccccc1 ZINC000012608627 553402400 /nfs/dbraw/zinc/40/24/00/553402400.db2.gz SJEJRHMZMFQKQM-SSEXGKCCSA-N 0 0 507.546 3.965 50 0 KHAARN Cn1c2ccccc2c(C(=O)COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1-c1ccccc1 ZINC000012608630 553402410 /nfs/dbraw/zinc/40/24/10/553402410.db2.gz SJEJRHMZMFQKQM-PMERELPUSA-N 0 0 507.546 3.965 50 0 KHAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000012611729 553402358 /nfs/dbraw/zinc/40/23/58/553402358.db2.gz SZQBKYMJXYFCMA-UHFFFAOYSA-N 0 0 509.444 3.863 50 0 KHAARN CCOCCCN1C(=O)C2=C(N[C@@H]1c1ccccc1)N(C[C@@H]1CCCO1)C(=S)N[C@@H]2c1ccccc1 ZINC000012612087 553402369 /nfs/dbraw/zinc/40/23/69/553402369.db2.gz FOSBJXSUUWAZTR-CAOCKLPOSA-N 0 0 506.672 3.866 50 0 KHAARN CCOCCCN1C(=O)C2=C(N[C@@H]1c1ccccc1)N(C[C@@H]1CCCO1)C(=S)N[C@H]2c1ccccc1 ZINC000012612099 553402378 /nfs/dbraw/zinc/40/23/78/553402378.db2.gz FOSBJXSUUWAZTR-HVCNVCAESA-N 0 0 506.672 3.866 50 0 KHAARN COc1cc(/C=C/C(=O)OCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000012614931 553402599 /nfs/dbraw/zinc/40/25/99/553402599.db2.gz UVWYICDXSCRRJD-FIFLTTCUSA-N 0 0 502.516 3.551 50 0 KHAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc(F)c(F)c(F)c3F)C2=O)cc(OC)c1OC ZINC000012615567 1066839475 /nfs/dbraw/zinc/83/94/75/1066839475.db2.gz ORXDGANBLDJLNE-NVNXTCNLSA-N 0 0 514.453 3.735 50 0 KHAARN Cc1ccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)c1 ZINC000012616212 553402772 /nfs/dbraw/zinc/40/27/72/553402772.db2.gz XAWQREIWVQHNFK-UHFFFAOYSA-N 0 0 521.068 3.838 50 0 KHAARN O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000012616507 553402708 /nfs/dbraw/zinc/40/27/08/553402708.db2.gz KJLSNMARFUSZFM-UHFFFAOYSA-N 0 0 512.769 3.950 50 0 KHAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2)cc1 ZINC000012616552 553402704 /nfs/dbraw/zinc/40/27/04/553402704.db2.gz PJDIJWZIGGGXPJ-UHFFFAOYSA-N 0 0 510.355 3.993 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)CCCC2 ZINC000012617638 553402988 /nfs/dbraw/zinc/40/29/88/553402988.db2.gz IFGWTRCXTXLZHS-IBGZPJMESA-N 0 0 524.595 3.920 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 ZINC000012618267 553403142 /nfs/dbraw/zinc/40/31/42/553403142.db2.gz UHADLUKFWMOSLX-UHFFFAOYSA-N 0 0 520.702 3.635 50 0 KHAARN O=S(=O)(c1cccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)c1)N1CCOCC1 ZINC000012619226 553403404 /nfs/dbraw/zinc/40/34/04/553403404.db2.gz WFGBAYHTKFRLNM-UHFFFAOYSA-N 0 0 514.673 3.806 50 0 KHAARN O=C(/C=C/c1ccccc1)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012619963 553403403 /nfs/dbraw/zinc/40/34/03/553403403.db2.gz IBAVUEPTFSDWLI-ZUSJUXBOSA-N 0 0 506.580 3.644 50 0 KHAARN O=C(/C=C/c1ccccc1)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000012619967 553403380 /nfs/dbraw/zinc/40/33/80/553403380.db2.gz IBAVUEPTFSDWLI-BOMYWPOKSA-N 0 0 506.580 3.644 50 0 KHAARN COc1ccc(CCNC(=O)C(=Cc2ccc(NC(C)=O)cc2)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000012620978 553403452 /nfs/dbraw/zinc/40/34/52/553403452.db2.gz LHVUIFOMPRAMBP-UHFFFAOYSA-N 0 0 515.610 3.763 50 0 KHAARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000012621187 553403693 /nfs/dbraw/zinc/40/36/93/553403693.db2.gz LSVWYWVSZUAPKR-UHFFFAOYSA-N 0 0 519.428 3.532 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(Br)cc2)c1 ZINC000012621828 553403959 /nfs/dbraw/zinc/40/39/59/553403959.db2.gz MFXYKRSFBMLOJU-UHFFFAOYSA-N 0 0 503.802 3.929 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000012621993 553403962 /nfs/dbraw/zinc/40/39/62/553403962.db2.gz GRDUSQPXRUYNHY-UHFFFAOYSA-N 0 0 524.734 3.927 50 0 KHAARN COc1ccc(CCNC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 ZINC000012622297 553403950 /nfs/dbraw/zinc/40/39/50/553403950.db2.gz CQZINDOLOMPBCW-SANMLTNESA-N 0 0 517.557 3.559 50 0 KHAARN COc1ccc(C(=O)c2sc(NCCCN3CCOCC3)c(C(=O)NCCc3ccccc3)c2N)cc1 ZINC000012623038 553404095 /nfs/dbraw/zinc/40/40/95/553404095.db2.gz SDVXYDYUSKKFCP-UHFFFAOYSA-N 0 0 522.671 3.677 50 0 KHAARN CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000012623490 553404319 /nfs/dbraw/zinc/40/43/19/553404319.db2.gz VORCOQPCCPKDLB-UHFFFAOYSA-N 0 0 524.595 3.884 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1C ZINC000012623657 553404331 /nfs/dbraw/zinc/40/43/31/553404331.db2.gz NFGPJELXDZWVCZ-UHFFFAOYSA-N 0 0 508.527 3.874 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 ZINC000012623663 553404341 /nfs/dbraw/zinc/40/43/41/553404341.db2.gz AYOBRTJSLAQQKD-UHFFFAOYSA-N 0 0 502.662 3.814 50 0 KHAARN CC[C@@H](C)n1c(SCC(=O)NCC2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012623709 553404540 /nfs/dbraw/zinc/40/45/40/553404540.db2.gz BJPRCTBUVCXPDW-LJQANCHMSA-N 0 0 535.736 3.726 50 0 KHAARN CC[C@H](C)n1c(SCC(=O)NCC2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012623712 553404496 /nfs/dbraw/zinc/40/44/96/553404496.db2.gz BJPRCTBUVCXPDW-IBGZPJMESA-N 0 0 535.736 3.726 50 0 KHAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000012623857 553404452 /nfs/dbraw/zinc/40/44/52/553404452.db2.gz CFHITMNSFPTLNN-UHFFFAOYSA-N 0 0 511.481 3.739 50 0 KHAARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012624123 553404516 /nfs/dbraw/zinc/40/45/16/553404516.db2.gz HXJKZGXJBGGBEJ-UHFFFAOYSA-N 0 0 508.622 3.686 50 0 KHAARN O=C(NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000012624651 553404652 /nfs/dbraw/zinc/40/46/52/553404652.db2.gz NHSDHGVLSBVBEM-UHFFFAOYSA-N 0 0 508.836 3.795 50 0 KHAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)CNC(=O)c3cc(C)cc(C)c3)cc2)cc1 ZINC000012630537 553405553 /nfs/dbraw/zinc/40/55/53/553405553.db2.gz UVHUTUVNSKARQC-UHFFFAOYSA-N 0 0 503.555 3.866 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2CC)c1 ZINC000012630798 553405527 /nfs/dbraw/zinc/40/55/27/553405527.db2.gz JPKDLSOHCBSJJS-UHFFFAOYSA-N 0 0 501.996 3.789 50 0 KHAARN CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(=O)N1CCCCC1 ZINC000012630813 553405533 /nfs/dbraw/zinc/40/55/33/553405533.db2.gz FNRPRPVKQUIVMU-SFHVURJKSA-N 0 0 514.575 3.678 50 0 KHAARN CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)ccc1OCC(=O)N1CCCCC1 ZINC000012630815 553405528 /nfs/dbraw/zinc/40/55/28/553405528.db2.gz FNRPRPVKQUIVMU-GOSISDBHSA-N 0 0 514.575 3.678 50 0 KHAARN CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2Br)CC1 ZINC000012630871 553405537 /nfs/dbraw/zinc/40/55/37/553405537.db2.gz GCZAYUWHLDGPLL-UHFFFAOYSA-N 0 0 506.466 3.832 50 0 KHAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012630954 553405487 /nfs/dbraw/zinc/40/54/87/553405487.db2.gz UPFOCKPTPJBXIR-HHHXNRCGSA-N 0 0 525.646 3.569 50 0 KHAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012630958 553405541 /nfs/dbraw/zinc/40/55/41/553405541.db2.gz UPFOCKPTPJBXIR-MHZLTWQESA-N 0 0 525.646 3.569 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000012631653 553405677 /nfs/dbraw/zinc/40/56/77/553405677.db2.gz NLQCKDHZASTXLR-UHFFFAOYSA-N 0 0 503.042 3.814 50 0 KHAARN Cc1nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 ZINC000012632551 553405905 /nfs/dbraw/zinc/40/59/05/553405905.db2.gz QSXDDPYUULAIFO-UHFFFAOYSA-N 0 0 517.655 3.776 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C(C)C)cc(C(C)C)c3O)CC2)c(C)c1 ZINC000012634555 553406296 /nfs/dbraw/zinc/40/62/96/553406296.db2.gz XUGWLUKVFLFGAN-UHFFFAOYSA-N 0 0 516.660 3.946 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012634885 553406313 /nfs/dbraw/zinc/40/63/13/553406313.db2.gz ZYOBBQNNIFZAPE-UHFFFAOYSA-N 0 0 506.515 3.736 50 0 KHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000012635067 553406638 /nfs/dbraw/zinc/40/66/38/553406638.db2.gz GXLKOIJJNJDETA-NRFANRHFSA-N 0 0 528.704 3.686 50 0 KHAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S ZINC000012635070 553406632 /nfs/dbraw/zinc/40/66/32/553406632.db2.gz GXLKOIJJNJDETA-OAQYLSRUSA-N 0 0 528.704 3.686 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1S(=O)(=O)N1CCCCC1 ZINC000012636848 553407057 /nfs/dbraw/zinc/40/70/57/553407057.db2.gz NZGDCFQSIXOHSX-UHFFFAOYSA-N 0 0 519.624 3.535 50 0 KHAARN COc1ccc(N(CC(=O)NC(=O)NC2CCCC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012637000 553407110 /nfs/dbraw/zinc/40/71/10/553407110.db2.gz NAZFSAWBLZWMIO-UHFFFAOYSA-N 0 0 500.404 3.966 50 0 KHAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000012639075 553407910 /nfs/dbraw/zinc/40/79/10/553407910.db2.gz XQPPSURDYRZKPX-UHFFFAOYSA-N 0 0 508.328 3.723 50 0 KHAARN COc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nnc2-c2ccccc2OC)cc1 ZINC000012642828 553408556 /nfs/dbraw/zinc/40/85/56/553408556.db2.gz CUIVZMWESXHYHB-UHFFFAOYSA-N 0 0 502.556 3.852 50 0 KHAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012643545 553408589 /nfs/dbraw/zinc/40/85/89/553408589.db2.gz WEXUYLAVZMJNTA-SBYDTPLSSA-N 0 0 516.642 3.991 50 0 KHAARN COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000012643553 553408679 /nfs/dbraw/zinc/40/86/79/553408679.db2.gz WEXUYLAVZMJNTA-BJYHEGPYSA-N 0 0 516.642 3.991 50 0 KHAARN CCOC(=O)c1cc(C(C)=O)sc1NC(=O)CN1C(=O)N=C(C)C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000012644662 553408716 /nfs/dbraw/zinc/40/87/16/553408716.db2.gz VZFOCPOKYYOHAM-OAQYLSRUSA-N 0 0 513.572 3.670 50 0 KHAARN CCOC(=O)c1cc(C(C)=O)sc1NC(=O)CN1C(=O)N=C(C)C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000012644670 553408665 /nfs/dbraw/zinc/40/86/65/553408665.db2.gz VZFOCPOKYYOHAM-NRFANRHFSA-N 0 0 513.572 3.670 50 0 KHAARN COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000012645515 553408934 /nfs/dbraw/zinc/40/89/34/553408934.db2.gz RCORBPJGOFTFAV-JCSUNJAGSA-N 0 0 524.542 3.665 50 0 KHAARN COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000012645522 553408965 /nfs/dbraw/zinc/40/89/65/553408965.db2.gz RCORBPJGOFTFAV-GXDWLZFVSA-N 0 0 524.542 3.665 50 0 KHAARN Cn1c2nc(-c3cccc(N4CCCCC4)c3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000012647421 553409035 /nfs/dbraw/zinc/40/90/35/553409035.db2.gz RYOMSQMIXGGJFR-UHFFFAOYSA-N 0 0 508.420 3.902 50 0 KHAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000012650664 553409512 /nfs/dbraw/zinc/40/95/12/553409512.db2.gz QIMHQNFHEKONMW-HXUWFJFHSA-N 0 0 500.024 3.514 50 0 KHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000012650668 553409527 /nfs/dbraw/zinc/40/95/27/553409527.db2.gz QIMHQNFHEKONMW-FQEVSTJZSA-N 0 0 500.024 3.514 50 0 KHAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc1C ZINC000012651894 553409718 /nfs/dbraw/zinc/40/97/18/553409718.db2.gz VRXXDGDFBIIKDU-ITYLOYPMSA-N 0 0 517.607 3.964 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000012653283 553410121 /nfs/dbraw/zinc/41/01/21/553410121.db2.gz YUNUFALXMYRYBR-UHFFFAOYSA-N 0 0 512.531 3.657 50 0 KHAARN O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012653640 553410190 /nfs/dbraw/zinc/41/01/90/553410190.db2.gz KCFYZSJLHQDWFO-UHFFFAOYSA-N 0 0 519.602 3.997 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000012654532 553410396 /nfs/dbraw/zinc/41/03/96/553410396.db2.gz JDQWVQJDSSFXJO-UHFFFAOYSA-N 0 0 509.005 3.680 50 0 KHAARN CCc1ccc(OCc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2CC(C)C)cc1 ZINC000012656247 553410601 /nfs/dbraw/zinc/41/06/01/553410601.db2.gz URKWBNRXXIMXMU-UHFFFAOYSA-N 0 0 511.648 3.745 50 0 KHAARN CCc1ccccc1OCC(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000012657530 1066839312 /nfs/dbraw/zinc/83/93/12/1066839312.db2.gz CURJJOKCWSFRRQ-STZFKDTASA-N 0 0 500.573 3.506 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000012658703 553411317 /nfs/dbraw/zinc/41/13/17/553411317.db2.gz KEDGJCBCRJDGFW-UHFFFAOYSA-N 0 0 500.020 3.893 50 0 KHAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-] ZINC000012658866 553411312 /nfs/dbraw/zinc/41/13/12/553411312.db2.gz DMARTWZICBDIDE-RYDQIBRESA-N 0 0 502.561 3.748 50 0 biogenic KHAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)c(C)c1 ZINC000012659856 553411497 /nfs/dbraw/zinc/41/14/97/553411497.db2.gz NLLFTXKWCYLWLM-BWAHOGKJSA-N 0 0 517.607 3.964 50 0 KHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012659973 553411748 /nfs/dbraw/zinc/41/17/48/553411748.db2.gz XLRRJSXCTDSBIM-UHFFFAOYSA-N 0 0 526.608 3.651 50 0 KHAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012660704 553411936 /nfs/dbraw/zinc/41/19/36/553411936.db2.gz VCJMEROUJKVTFA-UHFFFAOYSA-N 0 0 520.032 3.815 50 0 KHAARN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000012660809 553411860 /nfs/dbraw/zinc/41/18/60/553411860.db2.gz IHBZICOYXRMYLP-LEWJYISDSA-N 0 0 507.628 3.680 50 0 biogenic KHAARN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000012660810 553411929 /nfs/dbraw/zinc/41/19/29/553411929.db2.gz IHBZICOYXRMYLP-SFTDATJTSA-N 0 0 507.628 3.680 50 0 biogenic KHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000012662120 553412429 /nfs/dbraw/zinc/41/24/29/553412429.db2.gz PNYXDELSVXODEJ-XOBRGWDASA-N 0 0 509.740 3.918 50 0 biogenic KHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(Br)cc1Cl ZINC000012662122 553412428 /nfs/dbraw/zinc/41/24/28/553412428.db2.gz PNYXDELSVXODEJ-VBKZILBWSA-N 0 0 509.740 3.918 50 0 biogenic KHAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012675942 553412583 /nfs/dbraw/zinc/41/25/83/553412583.db2.gz CYDQHDLPHANKJL-UHFFFAOYSA-N 0 0 500.433 3.942 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000012681946 553412788 /nfs/dbraw/zinc/41/27/88/553412788.db2.gz KWYNOUXACWMBHI-UHFFFAOYSA-N 0 0 519.579 3.840 50 0 KHAARN COC(=O)Cc1csc(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 ZINC000012682266 553412783 /nfs/dbraw/zinc/41/27/83/553412783.db2.gz VKPCMJSQAXZMCL-LJQANCHMSA-N 0 0 515.975 3.555 50 0 KHAARN COC(=O)Cc1csc(NC(=O)COC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 ZINC000012682275 553412730 /nfs/dbraw/zinc/41/27/30/553412730.db2.gz VKPCMJSQAXZMCL-IBGZPJMESA-N 0 0 515.975 3.555 50 0 KHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c1 ZINC000012682982 553412768 /nfs/dbraw/zinc/41/27/68/553412768.db2.gz NOYRSCKHYWYNCF-UHFFFAOYSA-N 0 0 519.597 3.689 50 0 KHAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000012683269 553412773 /nfs/dbraw/zinc/41/27/73/553412773.db2.gz DRGFUVNUUGQEHT-UHFFFAOYSA-N 0 0 513.641 3.939 50 0 KHAARN Cc1ccc(-n2c(SCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nnc2N2CCOCC2)cc1 ZINC000012689252 553413048 /nfs/dbraw/zinc/41/30/48/553413048.db2.gz YTJJSINVBAOMCI-UHFFFAOYSA-N 0 0 518.643 3.803 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000012693026 553413021 /nfs/dbraw/zinc/41/30/21/553413021.db2.gz IPJBKBAGDOTTHK-UHFFFAOYSA-N 0 0 500.916 3.511 50 0 KHAARN COc1cc(/C=C/C(=O)OCCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000012693971 553413101 /nfs/dbraw/zinc/41/31/01/553413101.db2.gz LPGGBMNNKQSESB-GFULKKFKSA-N 0 0 516.543 3.941 50 0 KHAARN Cc1c(NC(=O)[C@@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)n(-c2ccccc2)n1C ZINC000012694034 553413118 /nfs/dbraw/zinc/41/31/18/553413118.db2.gz RMBIAJFYAABDSD-MRXNPFEDSA-N 0 0 522.959 3.701 50 0 KHAARN Cc1c(NC(=O)[C@H](C)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)n(-c2ccccc2)n1C ZINC000012694042 553413185 /nfs/dbraw/zinc/41/31/85/553413185.db2.gz RMBIAJFYAABDSD-INIZCTEOSA-N 0 0 522.959 3.701 50 0 KHAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)c2)CC1 ZINC000012694547 553413124 /nfs/dbraw/zinc/41/31/24/553413124.db2.gz ARFPPKGWZDZZEF-UHFFFAOYSA-N 0 0 512.657 3.840 50 0 KHAARN CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000012694755 553413090 /nfs/dbraw/zinc/41/30/90/553413090.db2.gz FCHBFUKTGCNHQU-UHFFFAOYSA-N 0 0 501.649 3.668 50 0 KHAARN COc1ccc(CN(C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1OC ZINC000012700349 553413336 /nfs/dbraw/zinc/41/33/36/553413336.db2.gz SSKLTNIUSMCIGQ-UHFFFAOYSA-N 0 0 526.055 3.611 50 0 KHAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000012700688 553413541 /nfs/dbraw/zinc/41/35/41/553413541.db2.gz QFYLTUDRXBNZFQ-UHFFFAOYSA-N 0 0 512.941 4.000 50 0 in-vitro KHAARN COc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)ccc1OCC(N)=O ZINC000012732244 553420521 /nfs/dbraw/zinc/42/05/21/553420521.db2.gz SSCLRRSPTJQWHS-UHFFFAOYSA-N 0 0 503.964 3.574 50 0 KHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012751598 553420572 /nfs/dbraw/zinc/42/05/72/553420572.db2.gz ZRASCTUSIIVXKR-UHFFFAOYSA-N 0 0 522.986 3.602 50 0 KHAARN NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000012770477 553420762 /nfs/dbraw/zinc/42/07/62/553420762.db2.gz TZJCXBARTCCJKK-UHFFFAOYSA-N 0 0 510.959 3.636 50 0 KHAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000012783452 553420776 /nfs/dbraw/zinc/42/07/76/553420776.db2.gz MCHUSSWAKGAZPW-UHFFFAOYSA-N 0 0 517.387 3.606 50 0 KHAARN COc1ccccc1-n1c(=O)c2c(nc1SCC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)sc1c2CCC1 ZINC000012794142 553420957 /nfs/dbraw/zinc/42/09/57/553420957.db2.gz PKDAOOIUOBUOMM-UHFFFAOYSA-N 0 0 519.608 3.845 50 0 KHAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000012794437 553421026 /nfs/dbraw/zinc/42/10/26/553421026.db2.gz QSWFKFADGDEOBI-UHFFFAOYSA-N 0 0 501.377 3.884 50 0 KHAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1 ZINC000012800734 553421019 /nfs/dbraw/zinc/42/10/19/553421019.db2.gz COLXXTXKHJATKQ-UHFFFAOYSA-N 0 0 515.613 3.645 50 0 KHAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000012808853 553421034 /nfs/dbraw/zinc/42/10/34/553421034.db2.gz IFWRXALTYSBMDD-UHFFFAOYSA-N 0 0 522.048 3.635 50 0 KHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OCC ZINC000012824175 553421171 /nfs/dbraw/zinc/42/11/71/553421171.db2.gz LLDBSYQGNKZIFO-UHFFFAOYSA-N 0 0 517.648 3.678 50 0 KHAARN Cc1cc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)nn1CC(=O)NCc1ccco1 ZINC000012845848 553421699 /nfs/dbraw/zinc/42/16/99/553421699.db2.gz HKWJGTZIVNVBMJ-UHFFFAOYSA-N 0 0 513.436 3.675 50 0 KHAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000012845884 553421677 /nfs/dbraw/zinc/42/16/77/553421677.db2.gz ZBJXMYMSFHGITC-FUHWJXTLSA-N 0 0 505.501 3.824 50 0 KHAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000012845888 553421674 /nfs/dbraw/zinc/42/16/74/553421674.db2.gz ZBJXMYMSFHGITC-WMZOPIPTSA-N 0 0 505.501 3.824 50 0 KHAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000012845894 553421729 /nfs/dbraw/zinc/42/17/29/553421729.db2.gz ZBJXMYMSFHGITC-SJLPKXTDSA-N 0 0 505.501 3.824 50 0 KHAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000012845898 553421722 /nfs/dbraw/zinc/42/17/22/553421722.db2.gz ZBJXMYMSFHGITC-AEFFLSMTSA-N 0 0 505.501 3.824 50 0 KHAARN CCOc1cc(Br)c(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1OCC ZINC000012849090 553421926 /nfs/dbraw/zinc/42/19/26/553421926.db2.gz XVKIXJIAUOTMLG-QHCPKHFHSA-N 0 0 505.365 3.985 50 0 KHAARN CCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1OCC ZINC000012849096 553421897 /nfs/dbraw/zinc/42/18/97/553421897.db2.gz XVKIXJIAUOTMLG-HSZRJFAPSA-N 0 0 505.365 3.985 50 0 KHAARN CCCCN(C(=O)[C@@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012850252 553421938 /nfs/dbraw/zinc/42/19/38/553421938.db2.gz HZEALIWLLDUVGM-MRXNPFEDSA-N 0 0 515.408 3.530 50 0 KHAARN CCCCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012850256 553421944 /nfs/dbraw/zinc/42/19/44/553421944.db2.gz HZEALIWLLDUVGM-INIZCTEOSA-N 0 0 515.408 3.530 50 0 KHAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000012854702 553422059 /nfs/dbraw/zinc/42/20/59/553422059.db2.gz ZBURYZRCYPMSSO-UHFFFAOYSA-N 0 0 511.600 3.678 50 0 KHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012856183 553422290 /nfs/dbraw/zinc/42/22/90/553422290.db2.gz RMNWRBZETIXTCJ-ZDUSSCGKSA-N 0 0 511.884 3.580 50 0 KHAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000012856191 553422313 /nfs/dbraw/zinc/42/23/13/553422313.db2.gz RMNWRBZETIXTCJ-CYBMUJFWSA-N 0 0 511.884 3.580 50 0 KHAARN CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)[nH]c(=O)c12 ZINC000012857789 553422417 /nfs/dbraw/zinc/42/24/17/553422417.db2.gz VZWUEXIGLFDSRS-RHSMWYFYSA-N 0 0 511.735 3.932 50 0 KHAARN CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)[nH]c(=O)c12 ZINC000012857796 553422432 /nfs/dbraw/zinc/42/24/32/553422432.db2.gz VZWUEXIGLFDSRS-WMLDXEAASA-N 0 0 511.735 3.932 50 0 KHAARN CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)[nH]c(=O)c12 ZINC000012857804 553422398 /nfs/dbraw/zinc/42/23/98/553422398.db2.gz VZWUEXIGLFDSRS-PBHICJAKSA-N 0 0 511.735 3.932 50 0 KHAARN CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)[nH]c(=O)c12 ZINC000012857811 553422622 /nfs/dbraw/zinc/42/26/22/553422622.db2.gz VZWUEXIGLFDSRS-YOEHRIQHSA-N 0 0 511.735 3.932 50 0 KHAARN CCCCCC(=O)Oc1c(I)cc(I)cc1S(C)(=O)=O ZINC000012858226 553422619 /nfs/dbraw/zinc/42/26/19/553422619.db2.gz BFVNQZSSCZVALX-UHFFFAOYSA-N 0 0 522.142 3.785 50 0 KHAARN CCOC(=O)[C@@H](CSCCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000012859016 553422645 /nfs/dbraw/zinc/42/26/45/553422645.db2.gz JIWRRFPBMRKCDM-GOSISDBHSA-N 0 0 545.466 3.623 50 0 KHAARN CCOC(=O)[C@H](CSCCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000012859022 553422615 /nfs/dbraw/zinc/42/26/15/553422615.db2.gz JIWRRFPBMRKCDM-SFHVURJKSA-N 0 0 545.466 3.623 50 0 KHAARN CCOc1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012860718 553422940 /nfs/dbraw/zinc/42/29/40/553422940.db2.gz RKIXTKNTYJIKLL-UHFFFAOYSA-N 0 0 518.614 3.868 50 0 KHAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000012860932 553422947 /nfs/dbraw/zinc/42/29/47/553422947.db2.gz SBLWCSRESIWQMH-UHFFFAOYSA-N 0 0 518.433 3.945 50 0 KHAARN CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(CCC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012864483 553423324 /nfs/dbraw/zinc/42/33/24/553423324.db2.gz SBYKRTHLSXFHMA-UHFFFAOYSA-N 0 0 528.650 3.601 50 0 KHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000012864491 553423288 /nfs/dbraw/zinc/42/32/88/553423288.db2.gz FGSSTDCZYNMWGP-ACCUITESSA-N 0 0 521.586 3.648 50 0 KHAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012868067 553423871 /nfs/dbraw/zinc/42/38/71/553423871.db2.gz YRIZLUHJMOBCOI-KRWDZBQOSA-N 0 0 535.041 3.690 50 0 KHAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012868075 553423813 /nfs/dbraw/zinc/42/38/13/553423813.db2.gz YRIZLUHJMOBCOI-QGZVFWFLSA-N 0 0 535.041 3.690 50 0 KHAARN CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000012871856 553423947 /nfs/dbraw/zinc/42/39/47/553423947.db2.gz XJCHKEWQDHPFGT-SFHVURJKSA-N 0 0 511.575 3.619 50 0 KHAARN CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000012871863 553424211 /nfs/dbraw/zinc/42/42/11/553424211.db2.gz XJCHKEWQDHPFGT-GOSISDBHSA-N 0 0 511.575 3.619 50 0 KHAARN COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012872860 553424212 /nfs/dbraw/zinc/42/42/12/553424212.db2.gz GMZMMZNGOOWMPZ-UHFFFAOYSA-N 0 0 505.662 3.879 50 0 KHAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012877576 553425117 /nfs/dbraw/zinc/42/51/17/553425117.db2.gz MURJECYAIWICQH-LJNDWVFPSA-N 0 0 503.599 3.786 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(C[C@@H]3CCCO3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012877580 553425068 /nfs/dbraw/zinc/42/50/68/553425068.db2.gz MURJECYAIWICQH-KSPBWIRNSA-N 0 0 503.599 3.786 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012877585 553425056 /nfs/dbraw/zinc/42/50/56/553425056.db2.gz MURJECYAIWICQH-LRRQVMFVSA-N 0 0 503.599 3.786 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(C[C@H]3CCCO3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012877594 553425086 /nfs/dbraw/zinc/42/50/86/553425086.db2.gz MURJECYAIWICQH-VPIDHBOOSA-N 0 0 503.599 3.786 50 0 biogenic KHAARN C[C@@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000012877856 553425109 /nfs/dbraw/zinc/42/51/09/553425109.db2.gz KTLAWKYYNPPQNC-CQSZACIVSA-N 0 0 510.962 3.561 50 0 KHAARN C[C@H]1CCCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000012877858 553425119 /nfs/dbraw/zinc/42/51/19/553425119.db2.gz KTLAWKYYNPPQNC-AWEZNQCLSA-N 0 0 510.962 3.561 50 0 KHAARN CCc1ccc(NC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000012880150 553425238 /nfs/dbraw/zinc/42/52/38/553425238.db2.gz QOUDWAHLJJVNEE-BJKOFHAPSA-N 0 0 528.694 3.966 50 0 biogenic KHAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCCCCO)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000012880202 553425288 /nfs/dbraw/zinc/42/52/88/553425288.db2.gz DXSUJUXEXCFXSJ-LGGPFLRQSA-N 0 0 505.615 3.769 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@H](C(C)C)N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1OC ZINC000012880441 553425462 /nfs/dbraw/zinc/42/54/62/553425462.db2.gz XTSSAQIDDTYLLN-OUTSHDOLSA-N 0 0 518.614 3.604 50 0 biogenic KHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)NCc3cccc(Cl)c3)cc2)cc1 ZINC000012882501 553425663 /nfs/dbraw/zinc/42/56/63/553425663.db2.gz LQIYKKCITMMJQF-UHFFFAOYSA-N 0 0 517.003 3.712 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000012882513 553425646 /nfs/dbraw/zinc/42/56/46/553425646.db2.gz RYCOTVWYNPEELE-UHFFFAOYSA-N 0 0 508.438 3.691 50 0 KHAARN CCOc1cc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)ccc1OCC(=O)N1CCCCC1 ZINC000012882712 553425768 /nfs/dbraw/zinc/42/57/68/553425768.db2.gz FGMQRSXQOIDDJD-UHFFFAOYSA-N 0 0 503.546 3.856 50 0 KHAARN CC(C)OCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C ZINC000012887384 553426240 /nfs/dbraw/zinc/42/62/40/553426240.db2.gz UNBUTAWPPGPIEL-OHSXHVKISA-N 0 0 516.642 3.710 50 0 biogenic KHAARN CC(C)OCCCNC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C ZINC000012887391 553426204 /nfs/dbraw/zinc/42/62/04/553426204.db2.gz UNBUTAWPPGPIEL-KLJDGLGGSA-N 0 0 516.642 3.710 50 0 biogenic KHAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1F ZINC000012887790 553426338 /nfs/dbraw/zinc/42/63/38/553426338.db2.gz KYTXMKMPZIKNFJ-VRKGNZAUSA-N 0 0 510.569 3.641 50 0 biogenic KHAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1F ZINC000012887795 553426347 /nfs/dbraw/zinc/42/63/47/553426347.db2.gz KYTXMKMPZIKNFJ-CCXQXCJASA-N 0 0 510.569 3.641 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@@H](NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)C(C)C)cc1OC ZINC000012888662 553426544 /nfs/dbraw/zinc/42/65/44/553426544.db2.gz RPWSMDLNHWKKQC-OBTVHEKISA-N 0 0 525.671 3.552 50 0 biogenic KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000012888900 553426545 /nfs/dbraw/zinc/42/65/45/553426545.db2.gz UYNYKIPXRWDSQZ-MRXNPFEDSA-N 0 0 500.983 3.582 50 0 KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000012888908 553426536 /nfs/dbraw/zinc/42/65/36/553426536.db2.gz UYNYKIPXRWDSQZ-INIZCTEOSA-N 0 0 500.983 3.582 50 0 KHAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000012888934 553426527 /nfs/dbraw/zinc/42/65/27/553426527.db2.gz VVZPZNFNYYKYFX-KYPHJKQUSA-N 0 0 516.667 3.935 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012889162 553426543 /nfs/dbraw/zinc/42/65/43/553426543.db2.gz YYAHDCGHROJYNX-GHFBWSRJSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012889171 553426488 /nfs/dbraw/zinc/42/64/88/553426488.db2.gz YYAHDCGHROJYNX-UWSLFPQHSA-N 0 0 509.628 3.611 50 0 biogenic KHAARN CC[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012889205 553426493 /nfs/dbraw/zinc/42/64/93/553426493.db2.gz DJHDQVLTJNRSES-BCZIVGSGSA-N 0 0 504.656 3.790 50 0 biogenic KHAARN CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000012889214 553426507 /nfs/dbraw/zinc/42/65/07/553426507.db2.gz DJHDQVLTJNRSES-VYRLLOQTSA-N 0 0 504.656 3.790 50 0 biogenic KHAARN CC[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012889220 553426528 /nfs/dbraw/zinc/42/65/28/553426528.db2.gz DJHDQVLTJNRSES-SLCGYIOCSA-N 0 0 504.656 3.790 50 0 biogenic KHAARN CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000012889229 553426541 /nfs/dbraw/zinc/42/65/41/553426541.db2.gz DJHDQVLTJNRSES-XNHCRPTKSA-N 0 0 504.656 3.790 50 0 biogenic KHAARN CC1(C)CCc2c(cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c4c(c(=O)oc23)CCC4)O1 ZINC000012890331 553426573 /nfs/dbraw/zinc/42/65/73/553426573.db2.gz UPUYRXZNDIKZLZ-MSOLQXFVSA-N 0 0 516.594 3.572 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCc1c[nH]c2ccccc12 ZINC000012891108 553426622 /nfs/dbraw/zinc/42/66/22/553426622.db2.gz BTLYFLDWDSTVRK-QUGAMOGWSA-N 0 0 516.598 3.735 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1)C(=O)OC ZINC000012891332 553426595 /nfs/dbraw/zinc/42/65/95/553426595.db2.gz XSKNTWZNGHYQNJ-BBBIZMJLSA-N 0 0 500.592 3.966 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1)C(=O)OC ZINC000012891338 553426584 /nfs/dbraw/zinc/42/65/84/553426584.db2.gz XSKNTWZNGHYQNJ-VOFHVUKISA-N 0 0 500.592 3.966 50 0 biogenic KHAARN Cc1sc2ncnc(N3CCC(C(=O)N4CCN(S(=O)(=O)c5cc(C)ccc5C)CC4)CC3)c2c1C ZINC000012891661 553426559 /nfs/dbraw/zinc/42/65/59/553426559.db2.gz GEFIIKOTDKZVCI-UHFFFAOYSA-N 0 0 527.716 3.674 50 0 KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)COc2cc(C)ccc2Cl)c(=O)[nH]c1=O ZINC000012892673 553426607 /nfs/dbraw/zinc/42/66/07/553426607.db2.gz FXAIFELKGQHVLV-UHFFFAOYSA-N 0 0 500.983 3.502 50 0 KHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012895941 553426615 /nfs/dbraw/zinc/42/66/15/553426615.db2.gz MOTOGXKKJSCKMT-CPJSRVTESA-N 0 0 500.592 3.966 50 0 biogenic KHAARN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000012895947 553426740 /nfs/dbraw/zinc/42/67/40/553426740.db2.gz MOTOGXKKJSCKMT-NBGIEHNGSA-N 0 0 500.592 3.966 50 0 biogenic KHAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000012901555 553426717 /nfs/dbraw/zinc/42/67/17/553426717.db2.gz JHCHQBYCOUAODQ-UHFFFAOYSA-N 0 0 509.628 3.973 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000012902402 553426750 /nfs/dbraw/zinc/42/67/50/553426750.db2.gz HQVIDFOKGXKXJI-UHFFFAOYSA-N 0 0 506.584 3.718 50 0 KHAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012906095 553426940 /nfs/dbraw/zinc/42/69/40/553426940.db2.gz QWJDJIFACQGVNB-GOSISDBHSA-N 0 0 500.974 3.954 50 0 KHAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012906100 553426855 /nfs/dbraw/zinc/42/68/55/553426855.db2.gz QWJDJIFACQGVNB-SFHVURJKSA-N 0 0 500.974 3.954 50 0 KHAARN C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000012915793 553427370 /nfs/dbraw/zinc/42/73/70/553427370.db2.gz GWUCMJXAAKEZPI-CYBMUJFWSA-N 0 0 506.839 3.957 50 0 KHAARN C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000012915798 553427333 /nfs/dbraw/zinc/42/73/33/553427333.db2.gz GWUCMJXAAKEZPI-ZDUSSCGKSA-N 0 0 506.839 3.957 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CC2)cc1 ZINC000012917383 553427362 /nfs/dbraw/zinc/42/73/62/553427362.db2.gz UKBRLUHJANXMJY-UHFFFAOYSA-N 0 0 502.596 3.695 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCCOc3ccc(S(=O)(=O)N(C)C)cc3)cc2)cc1C ZINC000012921046 553427365 /nfs/dbraw/zinc/42/73/65/553427365.db2.gz ILGNJHCLKIYXCM-UHFFFAOYSA-N 0 0 518.657 3.837 50 0 KHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)cc1 ZINC000012922869 553427535 /nfs/dbraw/zinc/42/75/35/553427535.db2.gz WYSYZZLFYUJYHW-QFIPXVFZSA-N 0 0 521.643 3.518 50 0 KHAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)cc1 ZINC000012922875 553427519 /nfs/dbraw/zinc/42/75/19/553427519.db2.gz WYSYZZLFYUJYHW-JOCHJYFZSA-N 0 0 521.643 3.518 50 0 KHAARN C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000012924734 553427439 /nfs/dbraw/zinc/42/74/39/553427439.db2.gz SKGYKEUPUZRKQZ-MRXNPFEDSA-N 0 0 509.422 3.658 50 0 KHAARN C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000012924740 553427549 /nfs/dbraw/zinc/42/75/49/553427549.db2.gz SKGYKEUPUZRKQZ-INIZCTEOSA-N 0 0 509.422 3.658 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000012926079 553427480 /nfs/dbraw/zinc/42/74/80/553427480.db2.gz DBXLXCCACFKMSS-LICLKQGHSA-N 0 0 526.659 3.710 50 0 KHAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1 ZINC000012932810 553427710 /nfs/dbraw/zinc/42/77/10/553427710.db2.gz RPNQLLUCBGYQCR-UHFFFAOYSA-N 0 0 515.396 3.523 50 0 KHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000012933098 553427678 /nfs/dbraw/zinc/42/76/78/553427678.db2.gz DAYDSSJIXKJCBO-UHFFFAOYSA-N 0 0 513.566 3.813 50 0 KHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000012934016 553427716 /nfs/dbraw/zinc/42/77/16/553427716.db2.gz QFDGUAGSHYWHOT-UHFFFAOYSA-N 0 0 519.023 3.772 50 0 KHAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000012934029 553427694 /nfs/dbraw/zinc/42/76/94/553427694.db2.gz IOOHJLZSPAWVDV-UHFFFAOYSA-N 0 0 522.986 3.602 50 0 KHAARN CCCCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CCC3 ZINC000012941181 553427976 /nfs/dbraw/zinc/42/79/76/553427976.db2.gz AFLAXAXJOOTAEH-UHFFFAOYSA-N 0 0 506.675 3.515 50 0 KHAARN COCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012946915 553428158 /nfs/dbraw/zinc/42/81/58/553428158.db2.gz ZCYCJJHVPIBLCE-UHFFFAOYSA-N 0 0 508.962 3.764 50 0 KHAARN COc1ccc([C@@H]2C[C@@H](CN(N(C)c3ncc(C(F)(F)F)cc3Cl)S(C)(=O)=O)ON2C)cc1 ZINC000012949888 553428135 /nfs/dbraw/zinc/42/81/35/553428135.db2.gz ODOCRHWNAJGZMM-WMZOPIPTSA-N 0 0 508.950 3.752 50 0 KHAARN COC(=O)c1sc(N(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)c(C(=O)OC)c1C(=O)OC ZINC000012950887 553428362 /nfs/dbraw/zinc/42/83/62/553428362.db2.gz LLSKADZQPLHYMC-UHFFFAOYSA-N 0 0 523.608 3.999 50 0 KHAARN COc1ccc(C(=O)n2c(=O)oc3c2cc(I)cc3I)cc1 ZINC000012951877 553428738 /nfs/dbraw/zinc/42/87/38/553428738.db2.gz ISSXXKHTGDZBAR-UHFFFAOYSA-N 0 0 521.048 3.501 50 0 KHAARN O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012955954 553429563 /nfs/dbraw/zinc/42/95/63/553429563.db2.gz UAEQHFHSWJTNTC-UHFFFAOYSA-N 0 0 572.337 3.867 50 0 KHAARN O=C(c1ccc(F)cc1)n1c(=O)oc2c1cc(I)cc2I ZINC000012957546 553429889 /nfs/dbraw/zinc/42/98/89/553429889.db2.gz CSVCIUWLEVRNBP-UHFFFAOYSA-N 0 0 509.012 3.631 50 0 KHAARN O=C1c2ccccc2C(=O)N1CCc1csc(NN=c2[nH]c(CCN3C(=O)c4ccccc4C3=O)cs2)n1 ZINC000012960971 553430674 /nfs/dbraw/zinc/43/06/74/553430674.db2.gz LZIOYNNUNGZVMC-UHFFFAOYSA-N 0 0 544.618 3.716 50 0 KHAARN O=C1c2ccccc2C(=O)N1CCc1csc(-c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)n1 ZINC000012960980 553430687 /nfs/dbraw/zinc/43/06/87/553430687.db2.gz ODBJJEFHZZLDOU-UHFFFAOYSA-N 0 0 514.588 3.944 50 0 KHAARN CSCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000012980110 553431418 /nfs/dbraw/zinc/43/14/18/553431418.db2.gz KYIMGIUGOXPMMU-GOSISDBHSA-N 0 0 518.579 3.535 50 0 KHAARN CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000012980112 553431409 /nfs/dbraw/zinc/43/14/09/553431409.db2.gz KYIMGIUGOXPMMU-SFHVURJKSA-N 0 0 518.579 3.535 50 0 KHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)cc1 ZINC000012980933 553431462 /nfs/dbraw/zinc/43/14/62/553431462.db2.gz UVORUUHZDLAJPJ-UHFFFAOYSA-N 0 0 516.623 3.656 50 0 KHAARN COC(=O)CCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCS3 ZINC000012983066 553431415 /nfs/dbraw/zinc/43/14/15/553431415.db2.gz OSBBTZMFCZEZGY-UHFFFAOYSA-N 0 0 503.671 3.955 50 0 KHAARN COC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000012983072 553431465 /nfs/dbraw/zinc/43/14/65/553431465.db2.gz MXTVIUBOMNATRZ-UHFFFAOYSA-N 0 0 508.596 3.769 50 0 KHAARN CCOC(=O)c1cc(Cl)c(OCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c(Cl)c1 ZINC000012985564 553431687 /nfs/dbraw/zinc/43/16/87/553431687.db2.gz IBEMELPIBYEQNP-UHFFFAOYSA-N 0 0 515.415 3.779 50 0 KHAARN COc1ccc(CCN(C)C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000012997845 553431625 /nfs/dbraw/zinc/43/16/25/553431625.db2.gz JFMVEVTVOAHEAD-UHFFFAOYSA-N 0 0 512.628 3.917 50 0 KHAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012998515 553431606 /nfs/dbraw/zinc/43/16/06/553431606.db2.gz QNVLYRJOSHMSAY-UHFFFAOYSA-N 0 0 516.417 3.638 50 0 KHAARN CCOC(=O)c1ccc(S(=O)(=O)NCCCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000013000281 553431844 /nfs/dbraw/zinc/43/18/44/553431844.db2.gz GMOYMBOTTNEWAW-UHFFFAOYSA-N 0 0 505.593 3.747 50 0 KHAARN CC(=O)c1cccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000013002432 553431781 /nfs/dbraw/zinc/43/17/81/553431781.db2.gz DTMHEXVFHHJXFL-UHFFFAOYSA-N 0 0 516.598 3.672 50 0 KHAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000013003936 553432037 /nfs/dbraw/zinc/43/20/37/553432037.db2.gz VDMUJQGRNRXJQP-UHFFFAOYSA-N 0 0 509.628 3.534 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)nn3-c3ccccc3)CC2)cc1 ZINC000013004181 553432032 /nfs/dbraw/zinc/43/20/32/553432032.db2.gz QVOHANLWYJQJGD-UHFFFAOYSA-N 0 0 508.625 3.756 50 0 KHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000013004771 553432041 /nfs/dbraw/zinc/43/20/41/553432041.db2.gz UPPQZRXVSHOBLB-UHFFFAOYSA-N 0 0 514.047 3.905 50 0 KHAARN COc1ccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC000013007361 553432242 /nfs/dbraw/zinc/43/22/42/553432242.db2.gz MOOZVHSLHCAEQR-ZDUSSCGKSA-N 0 0 513.900 3.826 50 0 KHAARN COc1ccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c(OC)c1 ZINC000013007363 553432255 /nfs/dbraw/zinc/43/22/55/553432255.db2.gz MOOZVHSLHCAEQR-CYBMUJFWSA-N 0 0 513.900 3.826 50 0 KHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C ZINC000013008105 553432310 /nfs/dbraw/zinc/43/23/10/553432310.db2.gz WFLWPDLPWQHHMG-UHFFFAOYSA-N 0 0 501.555 3.853 50 0 KHAARN C[C@@H](Oc1ccc(F)cc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013009916 553432391 /nfs/dbraw/zinc/43/23/91/553432391.db2.gz KKSPCGUEMCEIAY-LJQANCHMSA-N 0 0 506.578 3.997 50 0 KHAARN C[C@H](Oc1ccc(F)cc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013009918 553432375 /nfs/dbraw/zinc/43/23/75/553432375.db2.gz KKSPCGUEMCEIAY-IBGZPJMESA-N 0 0 506.578 3.997 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccc(OC)c(OC)c1OC ZINC000013011274 553432382 /nfs/dbraw/zinc/43/23/82/553432382.db2.gz HTMIBCMAAMNQAU-UHFFFAOYSA-N 0 0 506.621 3.558 50 0 KHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000013012063 553432637 /nfs/dbraw/zinc/43/26/37/553432637.db2.gz FUHWCBSXQOWJRU-UHFFFAOYSA-N 0 0 512.337 3.778 50 0 KHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000013012866 553432614 /nfs/dbraw/zinc/43/26/14/553432614.db2.gz ALSDWMCYOLPEOE-UHFFFAOYSA-N 0 0 508.383 3.578 50 0 KHAARN COc1ccc(CC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC ZINC000013013931 553432587 /nfs/dbraw/zinc/43/25/87/553432587.db2.gz HNZOAMBGUXGWAA-UHFFFAOYSA-N 0 0 518.614 3.651 50 0 KHAARN CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1OCC ZINC000013014148 553432634 /nfs/dbraw/zinc/43/26/34/553432634.db2.gz IUDGHSAPVLHGGU-UHFFFAOYSA-N 0 0 505.637 3.603 50 0 KHAARN O=C(COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000013015295 553432816 /nfs/dbraw/zinc/43/28/16/553432816.db2.gz GVLOVGLJXIIOCE-UHFFFAOYSA-N 0 0 503.437 3.785 50 0 KHAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 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O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013146283 553455130 /nfs/dbraw/zinc/45/51/30/553455130.db2.gz GULWNKJYMMOFAO-UHFFFAOYSA-N 0 0 508.003 3.734 50 0 KHAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1Cl ZINC000013146356 553455274 /nfs/dbraw/zinc/45/52/74/553455274.db2.gz AMJSMDZRZVAKCH-UHFFFAOYSA-N 0 0 500.385 3.694 50 0 KHAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000013146450 553455319 /nfs/dbraw/zinc/45/53/19/553455319.db2.gz CGFJSOVFAWCTHK-UHFFFAOYSA-N 0 0 508.040 3.921 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000013146463 553455271 /nfs/dbraw/zinc/45/52/71/553455271.db2.gz ASTJRGLPUHKBBL-UHFFFAOYSA-N 0 0 519.664 3.912 50 0 KHAARN CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCC)cc2)cc1 ZINC000013146760 553455456 /nfs/dbraw/zinc/45/54/56/553455456.db2.gz YYCHPGKSQKIZSV-BGYRXZFFSA-N 0 0 504.649 3.887 50 0 KHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)n2)cc1 ZINC000013147589 553455432 /nfs/dbraw/zinc/45/54/32/553455432.db2.gz MHMQGPLAGPUBLU-HZPDHXFCSA-N 0 0 514.629 3.819 50 0 KHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)n2)cc1 ZINC000013147591 553455457 /nfs/dbraw/zinc/45/54/57/553455457.db2.gz MHMQGPLAGPUBLU-IYBDPMFKSA-N 0 0 514.629 3.819 50 0 KHAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)n2)cc1 ZINC000013147592 553455436 /nfs/dbraw/zinc/45/54/36/553455436.db2.gz MHMQGPLAGPUBLU-HOTGVXAUSA-N 0 0 514.629 3.819 50 0 KHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2N2CCOCC2)cc1 ZINC000013147614 553455462 /nfs/dbraw/zinc/45/54/62/553455462.db2.gz VODYHGXTMGSQAY-UHFFFAOYSA-N 0 0 520.611 3.995 50 0 KHAARN COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)c1 ZINC000013147688 553455460 /nfs/dbraw/zinc/45/54/60/553455460.db2.gz PJWAWTHTTFOSHT-DEOSSOPVSA-N 0 0 519.529 3.847 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c2)cc1 ZINC000013147742 553455681 /nfs/dbraw/zinc/45/56/81/553455681.db2.gz ORAWHJGMAZOYCA-UHFFFAOYSA-N 0 0 512.540 3.712 50 0 KHAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000013147795 553455651 /nfs/dbraw/zinc/45/56/51/553455651.db2.gz VTRYFAVEHQMOKR-UHFFFAOYSA-N 0 0 508.221 3.668 50 0 KHAARN COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000013148429 553455807 /nfs/dbraw/zinc/45/58/07/553455807.db2.gz XGSNCAFYLYZSKC-UHFFFAOYSA-N 0 0 500.020 3.790 50 0 KHAARN O=C(COC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1Br ZINC000013148454 553455790 /nfs/dbraw/zinc/45/57/90/553455790.db2.gz PWWJDVOMCAZXAE-UHFFFAOYSA-N 0 0 508.419 3.651 50 0 KHAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013148547 553455977 /nfs/dbraw/zinc/45/59/77/553455977.db2.gz NFINNULGABXIPE-UHFFFAOYSA-N 0 0 502.951 3.983 50 0 KHAARN Cc1ccc(-n2c(SC[C@@H]3NS(=O)(=O)N=C4CCCCCN43)nnc2-c2ccccc2F)cc1 ZINC000013148617 553456022 /nfs/dbraw/zinc/45/60/22/553456022.db2.gz YVAJWTCZJAQVHY-OAQYLSRUSA-N 0 0 500.625 3.923 50 0 KHAARN Cc1ccc(-n2c(SC[C@H]3NS(=O)(=O)N=C4CCCCCN43)nnc2-c2ccccc2F)cc1 ZINC000013148618 553456002 /nfs/dbraw/zinc/45/60/02/553456002.db2.gz YVAJWTCZJAQVHY-NRFANRHFSA-N 0 0 500.625 3.923 50 0 KHAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)cc2)cc1 ZINC000013148833 553456155 /nfs/dbraw/zinc/45/61/55/553456155.db2.gz BEBUQKIWEDZXGP-UHFFFAOYSA-N 0 0 509.584 3.993 50 0 KHAARN CCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1OC ZINC000013148836 553456127 /nfs/dbraw/zinc/45/61/27/553456127.db2.gz HWXWLJMZVBDNIV-UHFFFAOYSA-N 0 0 505.637 3.603 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000013149910 553456479 /nfs/dbraw/zinc/45/64/79/553456479.db2.gz FBVIINSLTINJLC-UHFFFAOYSA-N 0 0 509.005 3.952 50 0 KHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000013149918 553456470 /nfs/dbraw/zinc/45/64/70/553456470.db2.gz NGCATNSHUGHOCX-UHFFFAOYSA-N 0 0 514.069 3.716 50 0 KHAARN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000013149950 553456500 /nfs/dbraw/zinc/45/65/00/553456500.db2.gz SSOYEMJGJWXCNU-OAHLLOKOSA-N 0 0 509.606 3.717 50 0 KHAARN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000013149951 553456521 /nfs/dbraw/zinc/45/65/21/553456521.db2.gz SSOYEMJGJWXCNU-HNNXBMFYSA-N 0 0 509.606 3.717 50 0 KHAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000013151351 553456897 /nfs/dbraw/zinc/45/68/97/553456897.db2.gz RIBRMAXWVMNUKQ-QFIPXVFZSA-N 0 0 510.653 3.807 50 0 KHAARN O=S(=O)(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000013151352 553456833 /nfs/dbraw/zinc/45/68/33/553456833.db2.gz RIBRMAXWVMNUKQ-JOCHJYFZSA-N 0 0 510.653 3.807 50 0 KHAARN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C(=O)N(CC)CC)C3)cc2)C1 ZINC000013152081 553456851 /nfs/dbraw/zinc/45/68/51/553456851.db2.gz GPFCZCVDCGSKEQ-SZPZYZBQSA-N 0 0 528.698 3.911 50 0 KHAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000013153386 553456893 /nfs/dbraw/zinc/45/68/93/553456893.db2.gz WCWYAXDEUMJQTC-UHFFFAOYSA-N 0 0 513.526 3.607 50 0 KHAARN CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000013163031 553456840 /nfs/dbraw/zinc/45/68/40/553456840.db2.gz WTLCBCGFEZCAPY-BDLILHNCSA-N 0 0 501.630 3.814 50 0 KHAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n(CC)c21 ZINC000013163062 553457049 /nfs/dbraw/zinc/45/70/49/553457049.db2.gz LHFUMDRRTNGCJW-CGZGMLGNSA-N 0 0 503.646 3.660 50 0 KHAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000013163967 553457241 /nfs/dbraw/zinc/45/72/41/553457241.db2.gz GJNBKFFEJNFOLI-UHFFFAOYSA-N 0 0 508.618 3.628 50 0 KHAARN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000013298414 553457808 /nfs/dbraw/zinc/45/78/08/553457808.db2.gz CIWBQSYVNNPZIQ-UVPYZUQISA-N 0 0 504.595 3.818 50 0 KHAARN CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@@]534)[C@]21C ZINC000013298760 553457778 /nfs/dbraw/zinc/45/77/78/553457778.db2.gz KPDOJFFZKAUIOE-HNABCYPOSA-N 0 0 514.571 3.690 50 0 KHAARN Cc1ccc(P(=Nc2ccc(I)cc2)(N2CCOCC2)N2CCOCC2)o1 ZINC000013302079 553457908 /nfs/dbraw/zinc/45/79/08/553457908.db2.gz CBTQKLOQFNSLCF-UHFFFAOYSA-N 0 0 501.305 3.845 50 0 KHAARN CC(C)(C)P(=NC(=O)c1ccc(I)cc1)(N1CCOCC1)N1CCOCC1 ZINC000013302209 553457871 /nfs/dbraw/zinc/45/78/71/553457871.db2.gz LFKFBLGNNSTEEN-UHFFFAOYSA-N 0 0 505.337 3.926 50 0 KHAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)cc1OC ZINC000013305688 553458264 /nfs/dbraw/zinc/45/82/64/553458264.db2.gz MALRMIPMHZWHDX-HOTGVXAUSA-N 0 0 517.629 3.878 50 0 KHAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n2)cc1OC ZINC000013305692 553458193 /nfs/dbraw/zinc/45/81/93/553458193.db2.gz MALRMIPMHZWHDX-HZPDHXFCSA-N 0 0 517.629 3.878 50 0 KHAARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)n2)cc1OC ZINC000013305696 553458227 /nfs/dbraw/zinc/45/82/27/553458227.db2.gz MALRMIPMHZWHDX-IYBDPMFKSA-N 0 0 517.629 3.878 50 0 KHAARN COc1ccc(NC(=O)CN2C(=O)C(c3cccs3)=NC23CCN(C(=O)OC(C)(C)C)CC3)cc1OC ZINC000013363106 553458570 /nfs/dbraw/zinc/45/85/70/553458570.db2.gz WJENITDOQKYZJV-UHFFFAOYSA-N 0 0 528.631 3.763 50 0 KHAARN CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1cccs1)C(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013363116 553458597 /nfs/dbraw/zinc/45/85/97/553458597.db2.gz FKEOUCKUCOFQHC-UHFFFAOYSA-N 0 0 526.615 3.517 50 0 KHAARN C[C@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368712 553458804 /nfs/dbraw/zinc/45/88/04/553458804.db2.gz IGZFJUYZZIWKKX-ZBBKGZSWSA-N 0 0 529.703 3.554 50 0 KHAARN C[C@@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368714 553458796 /nfs/dbraw/zinc/45/87/96/553458796.db2.gz IGZFJUYZZIWKKX-AOXVDABRSA-N 0 0 529.703 3.554 50 0 KHAARN C[C@@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368722 553458801 /nfs/dbraw/zinc/45/88/01/553458801.db2.gz GGMQCLVUFPKOOF-AOXVDABRSA-N 0 0 529.703 3.698 50 0 KHAARN C[C@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368724 553458799 /nfs/dbraw/zinc/45/87/99/553458799.db2.gz GGMQCLVUFPKOOF-ZBBKGZSWSA-N 0 0 529.703 3.698 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCN(c4nc5ccccc5n5cccc45)CC3)cc2C[C@H]1C ZINC000013368860 553458816 /nfs/dbraw/zinc/45/88/16/553458816.db2.gz VLEHHFHTGCDCFN-LJQANCHMSA-N 0 0 503.628 3.686 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCN(c4nc5ccccc5n5cccc45)CC3)cc2C[C@@H]1C ZINC000013368862 553458811 /nfs/dbraw/zinc/45/88/11/553458811.db2.gz VLEHHFHTGCDCFN-IBGZPJMESA-N 0 0 503.628 3.686 50 0 KHAARN COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000013397046 553459005 /nfs/dbraw/zinc/45/90/05/553459005.db2.gz KDZNBNNSMQHVIF-TVQWTUMOSA-N 0 0 504.970 3.953 50 0 KHAARN COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000013397053 553458970 /nfs/dbraw/zinc/45/89/70/553458970.db2.gz KDZNBNNSMQHVIF-PVIBPIFHSA-N 0 0 504.970 3.953 50 0 KHAARN COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000013397057 553459011 /nfs/dbraw/zinc/45/90/11/553459011.db2.gz KDZNBNNSMQHVIF-GOIZPCHYSA-N 0 0 504.970 3.953 50 0 KHAARN COc1ccc([C@H]2C[C@@H](CN(N(C)c3ncc(C(F)(F)F)cc3Cl)S(C)(=O)=O)ON2C)cc1 ZINC000013397189 553459002 /nfs/dbraw/zinc/45/90/02/553459002.db2.gz ODOCRHWNAJGZMM-FUHWJXTLSA-N 0 0 508.950 3.752 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1 ZINC000013464734 553459682 /nfs/dbraw/zinc/45/96/82/553459682.db2.gz WACPMRJGFHMRHO-RBJSKKJNSA-N 0 0 529.597 3.518 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1 ZINC000013464736 553459738 /nfs/dbraw/zinc/45/97/38/553459738.db2.gz WACPMRJGFHMRHO-CUBQBAPOSA-N 0 0 529.597 3.518 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)c1 ZINC000013464738 553459694 /nfs/dbraw/zinc/45/96/94/553459694.db2.gz WACPMRJGFHMRHO-UFHPHHKVSA-N 0 0 529.597 3.518 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)c1 ZINC000013464740 553459720 /nfs/dbraw/zinc/45/97/20/553459720.db2.gz JGCIJPXQZPRVCQ-YIXXDRMTSA-N 0 0 517.561 3.649 50 0 KHAARN COC(CNC(=O)C1CCN(C(=O)c2cc3oc(C)cc3n2Cc2c(F)cccc2Cl)CC1)OC ZINC000013497061 553464570 /nfs/dbraw/zinc/46/45/70/553464570.db2.gz ZNWMYSXJXFEPAV-UHFFFAOYSA-N 0 0 505.974 3.971 50 0 KHAARN CCOc1ccc(C(=O)[C@H](C[C@@H](CN2CCOCC2)C(=O)c2ccc(OCC)cc2)CN2CCOCC2)cc1 ZINC000013510149 553467319 /nfs/dbraw/zinc/46/73/19/553467319.db2.gz SSLQRVTZXXDOAF-MKPDMIMOSA-N 0 0 538.685 3.837 50 0 KHAARN CCCN1c2ccc(Br)cc2/C(=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)C1=O ZINC000013511808 553467508 /nfs/dbraw/zinc/46/75/08/553467508.db2.gz ZXGAZCZLICUZIR-MSUUIHNZSA-N 0 0 501.793 3.908 50 0 KHAARN CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)ccc1C ZINC000013514447 553468213 /nfs/dbraw/zinc/46/82/13/553468213.db2.gz IPQMATZTESESIP-QHCPKHFHSA-N 0 0 517.717 3.889 50 0 KHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1Br)NCc1ccccc1Cl ZINC000013523769 553468655 /nfs/dbraw/zinc/46/86/55/553468655.db2.gz KJBZHCPNYHORAU-UHFFFAOYSA-N 0 0 504.797 3.933 50 0 KHAARN CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1 ZINC000013523785 553468641 /nfs/dbraw/zinc/46/86/41/553468641.db2.gz HNLXNOZHXNSSPN-UHFFFAOYSA-N 0 0 514.700 3.871 50 0 in-man KHAARN COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1OC ZINC000013523820 553468643 /nfs/dbraw/zinc/46/86/43/553468643.db2.gz GDFQLWYNNTZQCK-UHFFFAOYSA-N 0 0 514.007 3.539 50 0 KHAARN CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013525052 553468824 /nfs/dbraw/zinc/46/88/24/553468824.db2.gz QOSFOORDSIVNAK-UHFFFAOYSA-N 0 0 503.646 3.729 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000013526071 553469129 /nfs/dbraw/zinc/46/91/29/553469129.db2.gz OIBJESGURUBHOT-UWXVCKHVSA-N 0 0 510.637 3.976 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000013526076 553469151 /nfs/dbraw/zinc/46/91/51/553469151.db2.gz OIBJESGURUBHOT-UMADGWCESA-N 0 0 510.637 3.976 50 0 KHAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2cccc(S(=O)(=O)N4CCOCC4)c2)n1)CCCC3 ZINC000013527101 553469330 /nfs/dbraw/zinc/46/93/30/553469330.db2.gz YKOMYAQYFUBTIL-UHFFFAOYSA-N 0 0 518.686 3.630 50 0 KHAARN COC(=O)c1c2c(sc1NC(=O)CSC(=S)N1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)CCCC2 ZINC000013572371 553474135 /nfs/dbraw/zinc/47/41/35/553474135.db2.gz CYTRJZFTWDCKBY-CABCVRRESA-N 0 0 517.698 3.651 50 0 KHAARN CCOc1ccc2nc(NC(=O)CSC(=S)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)sc2c1 ZINC000013572576 553474275 /nfs/dbraw/zinc/47/42/75/553474275.db2.gz PECLRMMIKCNWMU-CABCVRRESA-N 0 0 500.671 3.933 50 0 KHAARN COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000013573490 553474499 /nfs/dbraw/zinc/47/44/99/553474499.db2.gz FRUSYBDCYWZECC-UKILVPOCSA-N 0 0 518.570 3.718 50 0 KHAARN COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@@H]2NC(=O)NC2=O)cc1 ZINC000013573493 553474510 /nfs/dbraw/zinc/47/45/10/553474510.db2.gz FRUSYBDCYWZECC-ZCYQVOJMSA-N 0 0 518.570 3.718 50 0 KHAARN COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000013573497 553474455 /nfs/dbraw/zinc/47/44/55/553474455.db2.gz FRUSYBDCYWZECC-ILBGXUMGSA-N 0 0 518.570 3.718 50 0 KHAARN COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C(=O)C[C@H]2NC(=O)NC2=O)cc1 ZINC000013573501 553474488 /nfs/dbraw/zinc/47/44/88/553474488.db2.gz FRUSYBDCYWZECC-NOZRDPDXSA-N 0 0 518.570 3.718 50 0 KHAARN COc1ccccc1CNC(=O)/C(=C/c1ccc(I)o1)NC(=O)c1ccccc1 ZINC000013575090 553474868 /nfs/dbraw/zinc/47/48/68/553474868.db2.gz SQJCGJGSXPGMDL-AQTBWJFISA-N 0 0 502.308 3.980 50 0 KHAARN COc1cccc(CNC(=O)/C(=C/c2ccc(I)o2)NC(=O)c2ccccc2)c1 ZINC000013575103 553474843 /nfs/dbraw/zinc/47/48/43/553474843.db2.gz VKTMZBRUAUIPMA-UYRXBGFRSA-N 0 0 502.308 3.980 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)/C(=C/c1ccc(I)o1)NC(=O)c1ccccc1 ZINC000013575124 553474874 /nfs/dbraw/zinc/47/48/74/553474874.db2.gz XHMJYIKCDDFJFO-BOPFTXTBSA-N 0 0 516.291 3.700 50 0 KHAARN COc1ccc(CNC(=O)/C(=C/c2ccc(I)o2)NC(=O)c2ccccc2)cc1 ZINC000013575127 553474851 /nfs/dbraw/zinc/47/48/51/553474851.db2.gz DQHRVRZNOYMEIF-UYRXBGFRSA-N 0 0 502.308 3.980 50 0 KHAARN CN(C(=O)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1)c1ccncc1 ZINC000013575133 553474860 /nfs/dbraw/zinc/47/48/60/553474860.db2.gz WFMYMAJXDJGIHL-FXBPSFAMSA-N 0 0 508.625 3.818 50 0 KHAARN NS(=O)(=O)c1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 ZINC000013578913 553475420 /nfs/dbraw/zinc/47/54/20/553475420.db2.gz SDCWYIXIGJGTMR-FQEVSTJZSA-N 0 0 512.638 3.567 50 0 KHAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000013579377 553475475 /nfs/dbraw/zinc/47/54/75/553475475.db2.gz LKCDSBWSLXJCHM-QHCPKHFHSA-N 0 0 504.520 3.897 50 0 KHAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000013579379 553475565 /nfs/dbraw/zinc/47/55/65/553475565.db2.gz LKCDSBWSLXJCHM-HSZRJFAPSA-N 0 0 504.520 3.897 50 0 KHAARN Cc1c(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013579768 553475549 /nfs/dbraw/zinc/47/55/49/553475549.db2.gz GDHIPDSOMVNVRR-FGZHOGPDSA-N 0 0 502.596 3.671 50 0 KHAARN Cc1c(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013579770 553475536 /nfs/dbraw/zinc/47/55/36/553475536.db2.gz GDHIPDSOMVNVRR-SZPZYZBQSA-N 0 0 502.596 3.671 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000013603284 553477383 /nfs/dbraw/zinc/47/73/83/553477383.db2.gz RVNVENBWCVRXGW-OGRZUZBBSA-N 0 0 511.603 3.891 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000013603287 553477473 /nfs/dbraw/zinc/47/74/73/553477473.db2.gz RVNVENBWCVRXGW-ASSGYOTOSA-N 0 0 511.603 3.891 50 0 KHAARN Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NC(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000013608148 553477580 /nfs/dbraw/zinc/47/75/80/553477580.db2.gz KWUFMFRSWXBYNP-QFIPXVFZSA-N 0 0 508.640 3.912 50 0 KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]23)C1O ZINC000013619177 553478258 /nfs/dbraw/zinc/47/82/58/553478258.db2.gz WPIIFKRMOLIXKH-KIHHCIJBSA-N 0 0 513.937 3.888 50 0 KHAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000013640599 553479328 /nfs/dbraw/zinc/47/93/28/553479328.db2.gz XXFGAARLTYBZGZ-UHFFFAOYSA-N 0 0 501.391 3.830 50 0 KHAARN C[C@@H](CNC(=O)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1)Cn1ccc(C(F)(F)F)n1 ZINC000013640617 553479266 /nfs/dbraw/zinc/47/92/66/553479266.db2.gz YTXZCEBXQPNDHW-NSHDSACASA-N 0 0 501.391 3.768 50 0 KHAARN C[C@H](CNC(=O)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1)Cn1ccc(C(F)(F)F)n1 ZINC000013640619 553479353 /nfs/dbraw/zinc/47/93/53/553479353.db2.gz YTXZCEBXQPNDHW-LLVKDONJSA-N 0 0 501.391 3.768 50 0 KHAARN Cc1cc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)nn1CC(=O)Nc1cccnc1 ZINC000013642434 553479318 /nfs/dbraw/zinc/47/93/18/553479318.db2.gz FERFSIFGLDOURE-UHFFFAOYSA-N 0 0 510.436 3.799 50 0 KHAARN CCOC(=O)C1=C(CSc2nccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013643463 553479256 /nfs/dbraw/zinc/47/92/56/553479256.db2.gz ARQTYWHAJNGHSB-GOSISDBHSA-N 0 0 512.510 3.614 50 0 KHAARN CCOC(=O)C1=C(CSc2nccc(C(F)(F)F)n2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013643466 553479270 /nfs/dbraw/zinc/47/92/70/553479270.db2.gz ARQTYWHAJNGHSB-SFHVURJKSA-N 0 0 512.510 3.614 50 0 KHAARN O=C1[C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684125 553484885 /nfs/dbraw/zinc/48/48/85/553484885.db2.gz OYJAVPQCOQZFSL-PHBCIFJZSA-N 0 0 508.965 3.880 50 0 KHAARN O=C1[C@H]2[C@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684129 553484915 /nfs/dbraw/zinc/48/49/15/553484915.db2.gz OYJAVPQCOQZFSL-CDLOMYRSSA-N 0 0 508.965 3.880 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684366 553484955 /nfs/dbraw/zinc/48/49/55/553484955.db2.gz MHYRXIQJRCPVSR-PZTYDPALSA-N 0 0 502.574 3.843 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684370 553484947 /nfs/dbraw/zinc/48/49/47/553484947.db2.gz MHYRXIQJRCPVSR-FVCFNFBRSA-N 0 0 502.574 3.843 50 0 KHAARN O=S(=O)(c1nc(-c2ccccc2Cl)oc1NCCCN1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000013685096 553485105 /nfs/dbraw/zinc/48/51/05/553485105.db2.gz CTVIVACGXUBMPW-UHFFFAOYSA-N 0 0 520.007 3.733 50 0 KHAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688893 553485645 /nfs/dbraw/zinc/48/56/45/553485645.db2.gz FAJWQPQVTPRPQA-MTBINSJKSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688896 553485687 /nfs/dbraw/zinc/48/56/87/553485687.db2.gz FAJWQPQVTPRPQA-NIVHOULJSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688899 553485640 /nfs/dbraw/zinc/48/56/40/553485640.db2.gz FAJWQPQVTPRPQA-CCPXWOOUSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688901 553485728 /nfs/dbraw/zinc/48/57/28/553485728.db2.gz FAJWQPQVTPRPQA-RFFSZZMTSA-N 0 0 508.553 3.906 50 0 KHAARN CCc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689534 553485715 /nfs/dbraw/zinc/48/57/15/553485715.db2.gz FLYOQESTXSGKNW-YSRRZRNESA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689535 553485661 /nfs/dbraw/zinc/48/56/61/553485661.db2.gz FLYOQESTXSGKNW-ZGQJUUMOSA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689537 553485669 /nfs/dbraw/zinc/48/56/69/553485669.db2.gz FLYOQESTXSGKNW-KUXNCQQFSA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689539 553485676 /nfs/dbraw/zinc/48/56/76/553485676.db2.gz FLYOQESTXSGKNW-PCEYSVKOSA-N 0 0 504.590 3.939 50 0 KHAARN CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690469 553485658 /nfs/dbraw/zinc/48/56/58/553485658.db2.gz SISIIDQFSYFRAF-OBWDDDHRSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690470 553485981 /nfs/dbraw/zinc/48/59/81/553485981.db2.gz SISIIDQFSYFRAF-RHRDVFBWSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690471 553485975 /nfs/dbraw/zinc/48/59/75/553485975.db2.gz SISIIDQFSYFRAF-DIKZQZFXSA-N 0 0 508.553 3.906 50 0 KHAARN CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690472 553486003 /nfs/dbraw/zinc/48/60/03/553486003.db2.gz SISIIDQFSYFRAF-LUASENJMSA-N 0 0 508.553 3.906 50 0 KHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCCNC(=O)[C@@H]2COc4ccccc4O2)n3C)cc1 ZINC000013691276 553485943 /nfs/dbraw/zinc/48/59/43/553485943.db2.gz STFLMAKSUXOHND-VWLOTQADSA-N 0 0 500.555 3.723 50 0 KHAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCCNC(=O)[C@H]2COc4ccccc4O2)n3C)cc1 ZINC000013691277 553485961 /nfs/dbraw/zinc/48/59/61/553485961.db2.gz STFLMAKSUXOHND-RUZDIDTESA-N 0 0 500.555 3.723 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693562 553486011 /nfs/dbraw/zinc/48/60/11/553486011.db2.gz CWWVGUMETIICJO-ZGQJUUMOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693564 553486005 /nfs/dbraw/zinc/48/60/05/553486005.db2.gz CWWVGUMETIICJO-YSRRZRNESA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693566 553485998 /nfs/dbraw/zinc/48/59/98/553485998.db2.gz CWWVGUMETIICJO-PCEYSVKOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693568 553486007 /nfs/dbraw/zinc/48/60/07/553486007.db2.gz CWWVGUMETIICJO-KUXNCQQFSA-N 0 0 504.590 3.993 50 0 KHAARN O=C1[C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693834 553485988 /nfs/dbraw/zinc/48/59/88/553485988.db2.gz WNWIIVPZYVWOSI-PHBCIFJZSA-N 0 0 508.965 3.880 50 0 KHAARN O=C1[C@H]2[C@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693836 553485995 /nfs/dbraw/zinc/48/59/95/553485995.db2.gz WNWIIVPZYVWOSI-CDLOMYRSSA-N 0 0 508.965 3.880 50 0 KHAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727895 553486888 /nfs/dbraw/zinc/48/68/88/553486888.db2.gz ONPSCLYQULSHMH-ZGQJUUMOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727898 553486947 /nfs/dbraw/zinc/48/69/47/553486947.db2.gz ONPSCLYQULSHMH-YSRRZRNESA-N 0 0 504.590 3.993 50 0 KHAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727901 553486943 /nfs/dbraw/zinc/48/69/43/553486943.db2.gz ONPSCLYQULSHMH-PCEYSVKOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727904 553487164 /nfs/dbraw/zinc/48/71/64/553487164.db2.gz ONPSCLYQULSHMH-KUXNCQQFSA-N 0 0 504.590 3.993 50 0 KHAARN CCc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733557 553487081 /nfs/dbraw/zinc/48/70/81/553487081.db2.gz VOELJKCDRMENIV-YSRRZRNESA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733560 553487109 /nfs/dbraw/zinc/48/71/09/553487109.db2.gz VOELJKCDRMENIV-ZGQJUUMOSA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733563 553487055 /nfs/dbraw/zinc/48/70/55/553487055.db2.gz VOELJKCDRMENIV-KUXNCQQFSA-N 0 0 504.590 3.939 50 0 KHAARN CCc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733566 553487121 /nfs/dbraw/zinc/48/71/21/553487121.db2.gz VOELJKCDRMENIV-PCEYSVKOSA-N 0 0 504.590 3.939 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734751 553487076 /nfs/dbraw/zinc/48/70/76/553487076.db2.gz LXZOVEDDRMTTJZ-ZGQJUUMOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734754 553487168 /nfs/dbraw/zinc/48/71/68/553487168.db2.gz LXZOVEDDRMTTJZ-YSRRZRNESA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734757 553487100 /nfs/dbraw/zinc/48/71/00/553487100.db2.gz LXZOVEDDRMTTJZ-PCEYSVKOSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734760 553487091 /nfs/dbraw/zinc/48/70/91/553487091.db2.gz LXZOVEDDRMTTJZ-KUXNCQQFSA-N 0 0 504.590 3.993 50 0 KHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](O)c2ccc(Cl)cc2)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734805 553487313 /nfs/dbraw/zinc/48/73/13/553487313.db2.gz GOIXEKAKNYGVGJ-UROAJPKYSA-N 0 0 501.970 3.615 50 0 KHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)N[C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734808 553487341 /nfs/dbraw/zinc/48/73/41/553487341.db2.gz GOIXEKAKNYGVGJ-SALHDBGSSA-N 0 0 501.970 3.615 50 0 KHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](O)c2ccc(Cl)cc2)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734811 553487352 /nfs/dbraw/zinc/48/73/52/553487352.db2.gz GOIXEKAKNYGVGJ-SXFUUEIQSA-N 0 0 501.970 3.615 50 0 KHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)N[C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734814 553487285 /nfs/dbraw/zinc/48/72/85/553487285.db2.gz GOIXEKAKNYGVGJ-OOIXFGODSA-N 0 0 501.970 3.615 50 0 KHAARN O=C1[C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735011 553487367 /nfs/dbraw/zinc/48/73/67/553487367.db2.gz DTVRMMJSKIJTEQ-PHBCIFJZSA-N 0 0 508.965 3.880 50 0 KHAARN O=C1[C@H]2[C@H]3CCCN3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735014 553487359 /nfs/dbraw/zinc/48/73/59/553487359.db2.gz DTVRMMJSKIJTEQ-CDLOMYRSSA-N 0 0 508.965 3.880 50 0 KHAARN COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000013739071 553487338 /nfs/dbraw/zinc/48/73/38/553487338.db2.gz QTNHSWUBHPGMIG-HZHRSRAPSA-N 0 0 506.942 3.662 50 0 KHAARN O=C(Nc1ccccc1Br)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000013746534 553487553 /nfs/dbraw/zinc/48/75/53/553487553.db2.gz IXBBOJDIEYFDJR-UHFFFAOYSA-N 0 0 509.245 3.812 50 0 KHAARN CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccc(OC)c(OC)c5)nn4c3=O)o2)cc1 ZINC000013748178 553487577 /nfs/dbraw/zinc/48/75/77/553487577.db2.gz CBLSKGGIQAQEAZ-HMAPJEAMSA-N 0 0 503.536 3.820 50 0 KHAARN CCCCOc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000013748197 553487533 /nfs/dbraw/zinc/48/75/33/553487533.db2.gz DQDNEYBSZKCUGK-FQEVSTJZSA-N 0 0 501.649 3.718 50 0 KHAARN CCCCCOc1ccc(/C=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1OC ZINC000013748877 553487544 /nfs/dbraw/zinc/48/75/44/553487544.db2.gz WSFBNDGDKQDKDQ-XKZIYDEJSA-N 0 0 511.600 3.969 50 0 KHAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000013749462 553487717 /nfs/dbraw/zinc/48/77/17/553487717.db2.gz AMQAAAWKNXTYMV-DEOSSOPVSA-N 0 0 501.649 3.574 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000013751863 553488158 /nfs/dbraw/zinc/48/81/58/553488158.db2.gz SUXMCGNMZHBQAG-QHCPKHFHSA-N 0 0 504.052 3.987 50 0 KHAARN COc1cc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000013752305 553488124 /nfs/dbraw/zinc/48/81/24/553488124.db2.gz MSYBXWROSSNYAP-PXNMLYILSA-N 0 0 506.765 3.716 50 0 KHAARN CCOC(=O)C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)=C(C)O ZINC000013758693 553488581 /nfs/dbraw/zinc/48/85/81/553488581.db2.gz VTTIAUANOSASCO-GOSISDBHSA-N 0 0 516.645 3.540 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCCC[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)NC2CCCCC2)cc1 ZINC000013764486 553488751 /nfs/dbraw/zinc/48/87/51/553488751.db2.gz BKIRSHGSTWSTHL-RUZDIDTESA-N 0 0 535.732 3.548 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000013765777 553488929 /nfs/dbraw/zinc/48/89/29/553488929.db2.gz XZTAPBJETXIAGB-HOGKFDNTSA-N 0 0 522.026 3.579 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000013766127 553488992 /nfs/dbraw/zinc/48/89/92/553488992.db2.gz IFHZAQFFGKULHX-GTENMVSRSA-N 0 0 503.805 3.824 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000013766130 553488985 /nfs/dbraw/zinc/48/89/85/553488985.db2.gz IFHZAQFFGKULHX-OXRZLYTFSA-N 0 0 503.805 3.824 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1nnc(CCCCCNC(=O)OC(C)(C)C)o1 ZINC000013768497 553489208 /nfs/dbraw/zinc/48/92/08/553489208.db2.gz MJVAIBSVSYOZEK-UHFFFAOYSA-N 0 0 501.005 3.681 50 0 KHAARN O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)c1)N1CCCCC1 ZINC000013769694 553489224 /nfs/dbraw/zinc/48/92/24/553489224.db2.gz DSQZNSJAEPGYOK-RQZHXJHFSA-N 0 0 512.701 3.956 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013774413 553489568 /nfs/dbraw/zinc/48/95/68/553489568.db2.gz UTVNFCOMKFSHRF-MGSPXPDISA-N 0 0 506.624 3.723 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013774802 553489824 /nfs/dbraw/zinc/48/98/24/553489824.db2.gz AODHWPKOIOACSC-IDQDRXHYSA-N 0 0 519.406 3.732 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000013774804 553489812 /nfs/dbraw/zinc/48/98/12/553489812.db2.gz AODHWPKOIOACSC-KEBMYNNESA-N 0 0 519.406 3.732 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000013775353 553489832 /nfs/dbraw/zinc/48/98/32/553489832.db2.gz LXFMOUCNYFXHOI-QQYUXEJHSA-N 0 0 515.635 3.622 50 0 KHAARN O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)c1)N1CCCC1 ZINC000013777061 553490016 /nfs/dbraw/zinc/49/00/16/553490016.db2.gz LNANJFQDGVSTBC-RQZHXJHFSA-N 0 0 512.701 3.956 50 0 KHAARN COC(=O)CSc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000013786203 553490658 /nfs/dbraw/zinc/49/06/58/553490658.db2.gz MONWRQOCQVSUEK-UHFFFAOYSA-N 0 0 506.675 3.914 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 ZINC000013804224 553491493 /nfs/dbraw/zinc/49/14/93/553491493.db2.gz WAUYDPGPJUSTJO-UHFFFAOYSA-N 0 0 503.993 3.618 50 0 KHAARN CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OCCC)cc4)nn3c2=O)cc1OC ZINC000013806952 553491790 /nfs/dbraw/zinc/49/17/90/553491790.db2.gz XTDRCAHDJSCDTG-ULJHMMPZSA-N 0 0 507.612 3.626 50 0 KHAARN COc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Br)cc3)C[C@@H]21 ZINC000013807030 553491728 /nfs/dbraw/zinc/49/17/28/553491728.db2.gz WUUULHFXTFCJSW-IBGZPJMESA-N 0 0 506.422 3.753 50 0 KHAARN COc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000013807033 553491749 /nfs/dbraw/zinc/49/17/49/553491749.db2.gz WUUULHFXTFCJSW-LJQANCHMSA-N 0 0 506.422 3.753 50 0 KHAARN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000013809800 553492086 /nfs/dbraw/zinc/49/20/86/553492086.db2.gz YEJNASGANIHTBI-SJJVXOANSA-N 0 0 511.603 3.891 50 0 KHAARN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000013817416 553492972 /nfs/dbraw/zinc/49/29/72/553492972.db2.gz BITMRRAXHAAVAT-WVXBCFDCSA-N 0 0 519.561 3.768 50 0 KHAARN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000013817419 553492907 /nfs/dbraw/zinc/49/29/07/553492907.db2.gz BITMRRAXHAAVAT-DJUQAAIZSA-N 0 0 519.561 3.768 50 0 KHAARN Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000013817422 553492875 /nfs/dbraw/zinc/49/28/75/553492875.db2.gz BITMRRAXHAAVAT-YUDQIZAISA-N 0 0 519.561 3.768 50 0 KHAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000013828483 553492859 /nfs/dbraw/zinc/49/28/59/553492859.db2.gz WKOUIGHHLAIPAF-UHFFFAOYSA-N 0 0 520.371 3.803 50 0 KHAARN CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000013831783 553493097 /nfs/dbraw/zinc/49/30/97/553493097.db2.gz WYQPLTPSGFELIB-WOILVARYSA-N 0 0 508.558 3.520 50 0 KHAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(NC(C)=O)s3)cc2s1 ZINC000013879922 553493880 /nfs/dbraw/zinc/49/38/80/553493880.db2.gz FBSMJELOLDBQIA-UHFFFAOYSA-N 0 0 510.692 3.845 50 0 KHAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O ZINC000013880903 553493952 /nfs/dbraw/zinc/49/39/52/553493952.db2.gz CKMTXEBKLORNMA-VAENJDROSA-N 0 0 506.758 3.642 50 0 KHAARN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O ZINC000013880905 553494003 /nfs/dbraw/zinc/49/40/03/553494003.db2.gz CKMTXEBKLORNMA-XSHGTHSTSA-N 0 0 506.758 3.642 50 0 KHAARN CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000013895770 553494747 /nfs/dbraw/zinc/49/47/47/553494747.db2.gz NKCOWLWYKNUAEG-UHFFFAOYSA-N 0 0 505.446 3.849 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1 ZINC000013896592 553494861 /nfs/dbraw/zinc/49/48/61/553494861.db2.gz UEAONBWKGPJRPK-UHFFFAOYSA-N 0 0 502.677 3.722 50 0 KHAARN CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCOC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013896601 553494835 /nfs/dbraw/zinc/49/48/35/553494835.db2.gz SHCPMYQOLPRDLB-UHFFFAOYSA-N 0 0 509.628 3.768 50 0 KHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000013896696 553494867 /nfs/dbraw/zinc/49/48/67/553494867.db2.gz ITRBFMORAQBKHZ-UHFFFAOYSA-N 0 0 520.460 3.573 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000013899241 553495198 /nfs/dbraw/zinc/49/51/98/553495198.db2.gz ITLDJXPOJKJKCQ-RNHBDSLOSA-N 0 0 519.026 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000013943428 553497088 /nfs/dbraw/zinc/49/70/88/553497088.db2.gz CJKLGMVQFROHLW-JAORQVBISA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000013943430 553497036 /nfs/dbraw/zinc/49/70/36/553497036.db2.gz CJKLGMVQFROHLW-JCAJYURWSA-N 0 0 513.413 3.569 50 0 KHAARN Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000013955844 553497541 /nfs/dbraw/zinc/49/75/41/553497541.db2.gz KZZDFYBICXTQFU-UHFFFAOYSA-N 0 0 510.364 3.559 50 0 KHAARN CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000013956149 553497518 /nfs/dbraw/zinc/49/75/18/553497518.db2.gz ILUPPCCXSAWKNU-UHFFFAOYSA-N 0 0 508.648 3.663 50 0 KHAARN COc1ccc(-n2c(=O)c3[nH]c4ccccc4c3nc2SCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000013956814 553497504 /nfs/dbraw/zinc/49/75/04/553497504.db2.gz DPETZQBTNAGXRX-IYBDPMFKSA-N 0 0 508.600 3.612 50 0 KHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cn2ccc(C)n2)n1C[C@@H]1CCCO1 ZINC000013959430 553497730 /nfs/dbraw/zinc/49/77/30/553497730.db2.gz VFMXMLBYDNYUKP-KRWDZBQOSA-N 0 0 518.665 3.596 50 0 KHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cn2ccc(C)n2)n1C[C@H]1CCCO1 ZINC000013959431 553497714 /nfs/dbraw/zinc/49/77/14/553497714.db2.gz VFMXMLBYDNYUKP-QGZVFWFLSA-N 0 0 518.665 3.596 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSC1=N/C(=C/c3cn(C)nc3C)C(=O)N1CC)CCCC2 ZINC000013959535 553497736 /nfs/dbraw/zinc/49/77/36/553497736.db2.gz JHYDPFVQWHRQPF-GZTJUZNOSA-N 0 0 515.661 3.776 50 0 KHAARN CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000013959695 553497948 /nfs/dbraw/zinc/49/79/48/553497948.db2.gz FUBNQLDDXDNITQ-JDCXBEBJSA-N 0 0 504.015 3.744 50 0 KHAARN CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000013959696 553497915 /nfs/dbraw/zinc/49/79/15/553497915.db2.gz FUBNQLDDXDNITQ-QFVBLGFASA-N 0 0 504.015 3.744 50 0 KHAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000013959711 553497932 /nfs/dbraw/zinc/49/79/32/553497932.db2.gz QHCBKRQPDGQFHY-YOKWNPFVSA-N 0 0 504.015 3.569 50 0 KHAARN Cc1ccccc1NC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000013959712 553497942 /nfs/dbraw/zinc/49/79/42/553497942.db2.gz QHCBKRQPDGQFHY-NWKGEQBZSA-N 0 0 504.015 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000013960149 553498064 /nfs/dbraw/zinc/49/80/64/553498064.db2.gz VWZHNDLHIACGOA-XOYGFPHKSA-N 0 0 504.637 3.662 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000013960150 553498072 /nfs/dbraw/zinc/49/80/72/553498072.db2.gz VWZHNDLHIACGOA-YJADQXIJSA-N 0 0 504.637 3.662 50 0 KHAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)C)CC2)cc1 ZINC000013961279 553498617 /nfs/dbraw/zinc/49/86/17/553498617.db2.gz LPBOEFIBBGKMBL-UHFFFAOYSA-N 0 0 511.648 3.743 50 0 KHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000013984517 553498929 /nfs/dbraw/zinc/49/89/29/553498929.db2.gz WEFIQGRSENHTJI-UHFFFAOYSA-N 0 0 515.009 3.501 50 0 KHAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000013988046 553498971 /nfs/dbraw/zinc/49/89/71/553498971.db2.gz XMVTUDPDKJWXRG-UHFFFAOYSA-N 0 0 514.032 3.796 50 0 KHAARN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000013988061 553499002 /nfs/dbraw/zinc/49/90/02/553499002.db2.gz QOLQLPHIIFDEDT-HSZRJFAPSA-N 0 0 517.445 3.706 50 0 KHAARN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000013988063 553498967 /nfs/dbraw/zinc/49/89/67/553498967.db2.gz QOLQLPHIIFDEDT-QHCPKHFHSA-N 0 0 517.445 3.706 50 0 KHAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000014014224 553499262 /nfs/dbraw/zinc/49/92/62/553499262.db2.gz IYIZXXRDMJGZQN-HSZRJFAPSA-N 0 0 504.926 3.614 50 0 KHAARN CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000014014227 553499290 /nfs/dbraw/zinc/49/92/90/553499290.db2.gz IYIZXXRDMJGZQN-QHCPKHFHSA-N 0 0 504.926 3.614 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 ZINC000014066518 553499456 /nfs/dbraw/zinc/49/94/56/553499456.db2.gz XYWGCMSRJJUIOV-UHFFFAOYSA-N 0 0 504.637 3.583 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000014077381 553499829 /nfs/dbraw/zinc/49/98/29/553499829.db2.gz RCKMEQVYWFIETP-UHFFFAOYSA-N 0 0 508.021 3.952 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2c2cccc(C)c2)CC1 ZINC000014092787 553500466 /nfs/dbraw/zinc/50/04/66/553500466.db2.gz OEGUWOCANXBYKA-FLFQWRMESA-N 0 0 504.616 3.794 50 0 KHAARN Cc1cccc(N2C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)=NN/C2=C2/C=Nc3ccccc32)c1 ZINC000014092987 553500799 /nfs/dbraw/zinc/50/07/99/553500799.db2.gz VRAQTOINDPPMPJ-DARPEHSRSA-N 0 0 518.624 3.780 50 0 KHAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000014095247 553500776 /nfs/dbraw/zinc/50/07/76/553500776.db2.gz DRLLUHIRODMYPB-NDEPHWFRSA-N 0 0 502.571 3.736 50 0 KHAARN CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4cc(OC)ccc4c3)C2=O)cc1 ZINC000014095248 553500772 /nfs/dbraw/zinc/50/07/72/553500772.db2.gz DRLLUHIRODMYPB-MUUNZHRXSA-N 0 0 502.571 3.736 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000014128543 553501221 /nfs/dbraw/zinc/50/12/21/553501221.db2.gz XZGURZRTKIQPSG-JOCHJYFZSA-N 0 0 516.583 3.788 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000014128544 553501181 /nfs/dbraw/zinc/50/11/81/553501181.db2.gz XZGURZRTKIQPSG-QFIPXVFZSA-N 0 0 516.583 3.788 50 0 KHAARN O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000014128642 553501230 /nfs/dbraw/zinc/50/12/30/553501230.db2.gz LYKCYCMFMINIHT-UHFFFAOYSA-N 0 0 508.541 3.655 50 0 KHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000014128789 553501263 /nfs/dbraw/zinc/50/12/63/553501263.db2.gz ZGJGZNUUHFLBCU-UHFFFAOYSA-N 0 0 500.448 3.802 50 0 KHAARN O=C(OCc1nc2ccsc2c(=O)[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000014128850 553501241 /nfs/dbraw/zinc/50/12/41/553501241.db2.gz CHXHPDQRUXKEDR-UHFFFAOYSA-N 0 0 516.000 3.742 50 0 KHAARN COc1ccc(NC(=O)COC(=O)/C=C/c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000014129634 553501433 /nfs/dbraw/zinc/50/14/33/553501433.db2.gz KNTKLYFPVNACED-PKNBQFBNSA-N 0 0 510.971 3.857 50 0 KHAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000014129665 553501520 /nfs/dbraw/zinc/50/15/20/553501520.db2.gz RBPNZQXRLFKKKO-UHFFFAOYSA-N 0 0 521.639 3.605 50 0 KHAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cc3)o2)cc1 ZINC000014135917 553502900 /nfs/dbraw/zinc/50/29/00/553502900.db2.gz GWAFVIDQUHDKNK-UHFFFAOYSA-N 0 0 506.559 3.998 50 0 KHAARN CCC(=O)Nc1ccc(C(=O)CN2C(=O)NC(c3ccc(OC)cc3)(c3ccc(OC)cc3)C2=O)cc1 ZINC000014141097 553503022 /nfs/dbraw/zinc/50/30/22/553503022.db2.gz QSMSCPWWTKAFDA-UHFFFAOYSA-N 0 0 501.539 3.731 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000014154231 553503969 /nfs/dbraw/zinc/50/39/69/553503969.db2.gz XZXVIWVCPFLAEA-UHFFFAOYSA-N 0 0 501.555 3.518 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnc(-c5ccc(C)cc5)o4)cc3)CC2)cc1 ZINC000014157508 553505496 /nfs/dbraw/zinc/50/54/96/553505496.db2.gz IVEZYBDUFJDBGS-UHFFFAOYSA-N 0 0 518.595 3.867 50 0 KHAARN Cc1cccc2c(=O)n(CCCC(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)cnc12 ZINC000014158086 553505498 /nfs/dbraw/zinc/50/54/98/553505498.db2.gz JXAYFIWVOVBZCA-UHFFFAOYSA-N 0 0 511.629 3.643 50 0 KHAARN CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000014163501 553505767 /nfs/dbraw/zinc/50/57/67/553505767.db2.gz QOFNDJNJQSSSCH-VKIDHGPPSA-N 0 0 526.659 3.539 50 0 KHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000014163507 553505758 /nfs/dbraw/zinc/50/57/58/553505758.db2.gz QOFNDJNJQSSSCH-IOKPGSKQSA-N 0 0 526.659 3.539 50 0 KHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C1=O ZINC000014163517 553505766 /nfs/dbraw/zinc/50/57/66/553505766.db2.gz QOFNDJNJQSSSCH-SEXOINJZSA-N 0 0 526.659 3.539 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000014166102 553505728 /nfs/dbraw/zinc/50/57/28/553505728.db2.gz ZZVATHHSVMDKFH-UHFFFAOYSA-N 0 0 525.583 3.664 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000014166164 553505756 /nfs/dbraw/zinc/50/57/56/553505756.db2.gz OURMOHSPGZDZQO-UHFFFAOYSA-N 0 0 525.583 3.664 50 0 KHAARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014170323 553505903 /nfs/dbraw/zinc/50/59/03/553505903.db2.gz DVARKPQJJQNJAF-KRWDZBQOSA-N 0 0 519.023 3.701 50 0 KHAARN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014170326 553506011 /nfs/dbraw/zinc/50/60/11/553506011.db2.gz DVARKPQJJQNJAF-QGZVFWFLSA-N 0 0 519.023 3.701 50 0 KHAARN Cc1cc(C)cc(N(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000014202221 553506391 /nfs/dbraw/zinc/50/63/91/553506391.db2.gz FVDJUPPGEAFFQF-UHFFFAOYSA-N 0 0 522.048 3.828 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000014237579 553506503 /nfs/dbraw/zinc/50/65/03/553506503.db2.gz JOHGVPJZVPLRKU-UHFFFAOYSA-N 0 0 521.595 3.691 50 0 KHAARN O=C(/C=C/c1cccs1)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014356604 553511941 /nfs/dbraw/zinc/51/19/41/553511941.db2.gz OHZJUSORSCIBPZ-UWHSVAFCSA-N 0 0 512.609 3.705 50 0 KHAARN O=C(/C=C/c1cccs1)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000014356606 553511953 /nfs/dbraw/zinc/51/19/53/553511953.db2.gz OHZJUSORSCIBPZ-LCJITAHGSA-N 0 0 512.609 3.705 50 0 KHAARN CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000014356841 553512188 /nfs/dbraw/zinc/51/21/88/553512188.db2.gz FNXSCWXVDMROMZ-UHFFFAOYSA-N 0 0 500.646 3.873 50 0 KHAARN COc1ccc(OCc2nnc(SCC(=O)NC(=O)NCCC(C)C)n2-c2ccccc2F)cc1 ZINC000014357501 553512535 /nfs/dbraw/zinc/51/25/35/553512535.db2.gz KAAZERTUZDUPSF-UHFFFAOYSA-N 0 0 501.584 3.958 50 0 KHAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000014357535 553512545 /nfs/dbraw/zinc/51/25/45/553512545.db2.gz TUIZYDHBNZKNJI-UHFFFAOYSA-N 0 0 503.568 3.643 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)c1 ZINC000014357611 553512527 /nfs/dbraw/zinc/51/25/27/553512527.db2.gz KDVQHXWWDRYEGI-UHFFFAOYSA-N 0 0 517.721 3.690 50 0 KHAARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000014357827 553512651 /nfs/dbraw/zinc/51/26/51/553512651.db2.gz XYGHLBGHBOQQCR-UHFFFAOYSA-N 0 0 510.041 3.581 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c(C)c1 ZINC000014357852 553512662 /nfs/dbraw/zinc/51/26/62/553512662.db2.gz UDRDYKWVGOBBGJ-UHFFFAOYSA-N 0 0 519.063 3.845 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)c(=O)c2c1-c1ccccc1 ZINC000014358152 553512834 /nfs/dbraw/zinc/51/28/34/553512834.db2.gz ZTVAMLLSJBAFAD-UHFFFAOYSA-N 0 0 517.032 3.976 50 0 KHAARN CN(C)S(=O)(=O)c1cc(NC(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)ccc1Cl ZINC000014358724 553513163 /nfs/dbraw/zinc/51/31/63/553513163.db2.gz JFSPATOGEXTEBS-UHFFFAOYSA-N 0 0 516.432 3.672 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000014359328 553513408 /nfs/dbraw/zinc/51/34/08/553513408.db2.gz SUVNWMSFBUYUGS-UHFFFAOYSA-N 0 0 506.624 3.512 50 0 KHAARN CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)S/C(=C\c3cccs3)C2=O)ccc1Cl ZINC000014359493 553513425 /nfs/dbraw/zinc/51/34/25/553513425.db2.gz UFOFUPKVBINOTR-PTNGSMBKSA-N 0 0 500.023 3.717 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)n2C)c1 ZINC000014359633 553513456 /nfs/dbraw/zinc/51/34/56/553513456.db2.gz RRYRPWHHUYQWPE-IBGZPJMESA-N 0 0 515.705 3.742 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)n2C)c1 ZINC000014359635 553513491 /nfs/dbraw/zinc/51/34/91/553513491.db2.gz RRYRPWHHUYQWPE-LJQANCHMSA-N 0 0 515.705 3.742 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccco2)CC3)cc1 ZINC000014359753 553513616 /nfs/dbraw/zinc/51/36/16/553513616.db2.gz NTWSKJAHOICWGC-JQIJEIRASA-N 0 0 503.536 3.758 50 0 KHAARN CCOc1ccc(CCNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1OCC ZINC000014359789 553513590 /nfs/dbraw/zinc/51/35/90/553513590.db2.gz LOPJUQYPCWOWBR-UHFFFAOYSA-N 0 0 504.580 3.766 50 0 KHAARN CCN(CC)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1Cc1ccccc1 ZINC000014359833 553513595 /nfs/dbraw/zinc/51/35/95/553513595.db2.gz YGCMBEGAFPPMRT-UHFFFAOYSA-N 0 0 515.705 3.984 50 0 KHAARN C[C@@H]1CCc2c(sc3nc(COC(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(Cl)cc4)[nH]c(=O)c32)C1 ZINC000014359867 553513633 /nfs/dbraw/zinc/51/36/33/553513633.db2.gz XJEOCPKKRIAVPM-DYVFJYSZSA-N 0 0 522.048 3.659 50 0 KHAARN C[C@@H]1CCc2c(sc3nc(COC(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(Cl)cc4)[nH]c(=O)c32)C1 ZINC000014359870 553513615 /nfs/dbraw/zinc/51/36/15/553513615.db2.gz XJEOCPKKRIAVPM-CXAGYDPISA-N 0 0 522.048 3.659 50 0 KHAARN C[C@H]1CCc2c(sc3nc(COC(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(Cl)cc4)[nH]c(=O)c32)C1 ZINC000014359872 553513583 /nfs/dbraw/zinc/51/35/83/553513583.db2.gz XJEOCPKKRIAVPM-SUMWQHHRSA-N 0 0 522.048 3.659 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)NCCCN1CCCC1=O ZINC000014359978 553513833 /nfs/dbraw/zinc/51/38/33/553513833.db2.gz BVYWCLRUSQFREY-UHFFFAOYSA-N 0 0 504.534 3.625 50 0 KHAARN CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 ZINC000014360252 553513853 /nfs/dbraw/zinc/51/38/53/553513853.db2.gz WKZAAGJUGDLKOX-UHFFFAOYSA-N 0 0 520.493 3.828 50 0 KHAARN CCOc1ccc(C(C)=O)cc1CC1(Cc2cc(C(C)=O)ccc2OCC)C(=O)N(C)C(=O)N(C)C1=O ZINC000014360299 553514005 /nfs/dbraw/zinc/51/40/05/553514005.db2.gz PESSTLHYMIGTTB-UHFFFAOYSA-N 0 0 508.571 3.711 50 0 KHAARN COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CCNC(=O)c2ccccc2Cl)cc1 ZINC000014360413 553514008 /nfs/dbraw/zinc/51/40/08/553514008.db2.gz FDYSNILEYBFGTH-UHFFFAOYSA-N 0 0 509.946 3.903 50 0 KHAARN C[C@@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)N(C)C)c3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000014360531 553513981 /nfs/dbraw/zinc/51/39/81/553513981.db2.gz KUXIOTMBJNZMSO-CALCHBBNSA-N 0 0 505.641 3.526 50 0 KHAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000014360621 553514108 /nfs/dbraw/zinc/51/41/08/553514108.db2.gz DNBDUAUUXCXCHS-UHFFFAOYSA-N 0 0 506.609 3.774 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)n2CCc2ccccc2)cc1 ZINC000014360809 553514127 /nfs/dbraw/zinc/51/41/27/553514127.db2.gz JCFVDJKEXVXTTE-UHFFFAOYSA-N 0 0 523.640 3.575 50 0 KHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2)C1 ZINC000014360843 553514287 /nfs/dbraw/zinc/51/42/87/553514287.db2.gz XEOFMCUVAVIYNQ-ZIAGYGMSSA-N 0 0 500.404 3.851 50 0 KHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2)C1 ZINC000014360847 553514306 /nfs/dbraw/zinc/51/43/06/553514306.db2.gz XEOFMCUVAVIYNQ-OKILXGFUSA-N 0 0 500.404 3.851 50 0 KHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2)C1 ZINC000014360849 553514297 /nfs/dbraw/zinc/51/42/97/553514297.db2.gz XEOFMCUVAVIYNQ-KBPBESRZSA-N 0 0 500.404 3.851 50 0 KHAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1S(=O)(=O)N(C)C ZINC000014360854 553514284 /nfs/dbraw/zinc/51/42/84/553514284.db2.gz AMORDTQZSRYCEA-UHFFFAOYSA-N 0 0 511.629 3.876 50 0 KHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2=Cc1ccco1)NCCN1C(=O)CSC1=O ZINC000014361092 553514327 /nfs/dbraw/zinc/51/43/27/553514327.db2.gz PRRCFCRAWGVKDS-SSZFMOIBSA-N 0 0 505.552 3.673 50 0 KHAARN CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n(-c2ccccc2)n1 ZINC000014361476 553514652 /nfs/dbraw/zinc/51/46/52/553514652.db2.gz KXEWZDNHTYUYOY-UHFFFAOYSA-N 0 0 510.616 3.750 50 0 KHAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000014361501 553514675 /nfs/dbraw/zinc/51/46/75/553514675.db2.gz AMFAEBZFTGNPGH-XBXARRHUSA-N 0 0 500.020 3.883 50 0 KHAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000014361545 553514670 /nfs/dbraw/zinc/51/46/70/553514670.db2.gz GNNDCPTVKGMBBQ-UHFFFAOYSA-N 0 0 521.620 3.653 50 0 KHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000014412899 553516864 /nfs/dbraw/zinc/51/68/64/553516864.db2.gz MPRNXMADABBISO-UHFFFAOYSA-N 0 0 513.641 3.690 50 0 KHAARN CC(=O)NCCNC(=O)c1cc(NCc2ccc(Cl)cc2)cc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000014531499 1066854826 /nfs/dbraw/zinc/85/48/26/1066854826.db2.gz KNRWGKRPNJIFHX-UHFFFAOYSA-N 0 0 515.035 3.927 50 0 KHAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccc(NC(C)=O)cc3)C2)c1 ZINC000014531505 1066855224 /nfs/dbraw/zinc/85/52/24/1066855224.db2.gz OSHOTGOACZHMLU-MUUNZHRXSA-N 0 0 515.610 3.766 50 0 KHAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3ccc(NC(C)=O)cc3)C2)c1 ZINC000014531506 1066855144 /nfs/dbraw/zinc/85/51/44/1066855144.db2.gz OSHOTGOACZHMLU-NDEPHWFRSA-N 0 0 515.610 3.766 50 0 KHAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3coc4c3C(=O)CCC4)C2)c1 ZINC000014532669 553517688 /nfs/dbraw/zinc/51/76/88/553517688.db2.gz PMRSYHNNWLYQOQ-XMMPIXPASA-N 0 0 516.594 3.920 50 0 KHAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3coc4c3C(=O)CCC4)C2)c1 ZINC000014532670 553517622 /nfs/dbraw/zinc/51/76/22/553517622.db2.gz PMRSYHNNWLYQOQ-DEOSSOPVSA-N 0 0 516.594 3.920 50 0 KHAARN CC(=O)NCCNC(=O)c1cc(NCc2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000014533863 1066855026 /nfs/dbraw/zinc/85/50/26/1066855026.db2.gz QPCVVYSOZSRJDS-UHFFFAOYSA-N 0 0 516.570 3.552 50 0 KHAARN COC(=O)c1c(NC(=O)C2CCC2)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1CCc1ccccn1 ZINC000014534712 553517828 /nfs/dbraw/zinc/51/78/28/553517828.db2.gz WQNNLISSPXPLKW-UHFFFAOYSA-N 0 0 518.618 3.622 50 0 KHAARN Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)cc1N1CCNC1=O ZINC000014534933 553517875 /nfs/dbraw/zinc/51/78/75/553517875.db2.gz LJDVVCWWMNLSAQ-RUZDIDTESA-N 0 0 504.631 3.727 50 0 KHAARN Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)cc1N1CCNC1=O ZINC000014534934 553517814 /nfs/dbraw/zinc/51/78/14/553517814.db2.gz LJDVVCWWMNLSAQ-VWLOTQADSA-N 0 0 504.631 3.727 50 0 KHAARN CCOC(=O)N1CCC(Nc2cnc3c(c2)c(NC(=O)CCc2ccccc2)c(C(=O)OC)n3C)CC1 ZINC000014537119 553518139 /nfs/dbraw/zinc/51/81/39/553518139.db2.gz ATIMTLUZOMTJDM-UHFFFAOYSA-N 0 0 507.591 3.964 50 0 KHAARN COCCn1c2ncc(N[C@@H](C)CCn3cccn3)cc2c(NC(=O)Cc2ccccc2)c1C(=O)OC ZINC000014537834 553518097 /nfs/dbraw/zinc/51/80/97/553518097.db2.gz LUZFPBXVYJEXMH-IBGZPJMESA-N 0 0 504.591 3.738 50 0 KHAARN COCCn1c2ncc(N[C@H](C)CCn3cccn3)cc2c(NC(=O)Cc2ccccc2)c1C(=O)OC ZINC000014537835 553518136 /nfs/dbraw/zinc/51/81/36/553518136.db2.gz LUZFPBXVYJEXMH-LJQANCHMSA-N 0 0 504.591 3.738 50 0 KHAARN O=C(NCCn1ccnc1)c1cc(NCc2cccc(-c3ccco3)c2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014538644 1066855849 /nfs/dbraw/zinc/85/58/49/1066855849.db2.gz WMJHHUFFCRFOCA-UHFFFAOYSA-N 0 0 519.627 3.970 50 0 KHAARN COCC(=O)Nc1c2cc(NCc3nccs3)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014539312 1066855801 /nfs/dbraw/zinc/85/58/01/1066855801.db2.gz VNXCWDPXOUOYOQ-UHFFFAOYSA-N 0 0 509.588 3.728 50 0 KHAARN CNS(=O)(=O)c1cc(NCc2cc3c(c(OC)c2)OCO3)cc(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000014540315 1066855838 /nfs/dbraw/zinc/85/58/38/1066855838.db2.gz BHMPCDOTPUOXRG-UHFFFAOYSA-N 0 0 509.584 3.685 50 0 KHAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3cccc4nccnc43)C2)c1 ZINC000014543768 553518781 /nfs/dbraw/zinc/51/87/81/553518781.db2.gz SHGVZHFXGLSYAZ-RUZDIDTESA-N 0 0 510.594 3.751 50 0 KHAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3cccc4nccnc43)C2)c1 ZINC000014543771 553518924 /nfs/dbraw/zinc/51/89/24/553518924.db2.gz SHGVZHFXGLSYAZ-VWLOTQADSA-N 0 0 510.594 3.751 50 0 KHAARN COCC(=O)Nc1c2cc(NC3CCSCC3)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014742043 553519632 /nfs/dbraw/zinc/51/96/32/553519632.db2.gz WZDWMWLYEZVEAF-UHFFFAOYSA-N 0 0 512.632 3.967 50 0 KHAARN COCC(=O)Nc1c2cc(NCc3cccc(O)c3)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014742626 1066855609 /nfs/dbraw/zinc/85/56/09/1066855609.db2.gz RFVHCWKPKHTPGS-UHFFFAOYSA-N 0 0 518.570 3.977 50 0 KHAARN CC(C)NS(=O)(=O)c1cc(NCc2ccc(-c3ccco3)cc2)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000014742805 1066855582 /nfs/dbraw/zinc/85/55/82/1066855582.db2.gz ROAXJUXOBWHVJE-DEOSSOPVSA-N 0 0 524.643 3.644 50 0 KHAARN CC(C)NS(=O)(=O)c1cc(NCc2ccc3c(c2)OCO3)cc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000014744335 1066855886 /nfs/dbraw/zinc/85/58/86/1066855886.db2.gz DLQPYDZFPAAYFL-UHFFFAOYSA-N 0 0 509.584 3.997 50 0 KHAARN COCC(=O)Nc1c2cc(NC3CCOCC3)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014744362 1066855744 /nfs/dbraw/zinc/85/57/44/1066855744.db2.gz WHIJEBCMBFMDHX-UHFFFAOYSA-N 0 0 505.575 3.723 50 0 KHAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1CCc1ccccc1 ZINC000014745398 553520080 /nfs/dbraw/zinc/52/00/80/553520080.db2.gz BNEAGOBBDMSMGN-DEOSSOPVSA-N 0 0 533.629 3.606 50 0 KHAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1CCc1ccccc1 ZINC000014745399 553520007 /nfs/dbraw/zinc/52/00/07/553520007.db2.gz BNEAGOBBDMSMGN-XMMPIXPASA-N 0 0 533.629 3.606 50 0 KHAARN CC(C)NS(=O)(=O)c1cc(NCc2cccc(-c3ccco3)c2)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000014745444 1066855929 /nfs/dbraw/zinc/85/59/29/1066855929.db2.gz LOMIPWVFGYOAPZ-DEOSSOPVSA-N 0 0 524.643 3.644 50 0 KHAARN COCCC(=O)Nc1c2cc(N[C@@H](C)CCO)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014745967 553520091 /nfs/dbraw/zinc/52/00/91/553520091.db2.gz DDRGAFQEFGGGKY-KRWDZBQOSA-N 0 0 507.591 3.705 50 0 KHAARN COCCC(=O)Nc1c2cc(N[C@H](C)CCO)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014745968 553520018 /nfs/dbraw/zinc/52/00/18/553520018.db2.gz DDRGAFQEFGGGKY-QGZVFWFLSA-N 0 0 507.591 3.705 50 0 KHAARN COCCC(=O)Nc1c2cc(N[C@@H](C)COC)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014746303 553520124 /nfs/dbraw/zinc/52/01/24/553520124.db2.gz YFYVSLOEQLRWNE-KRWDZBQOSA-N 0 0 507.591 3.969 50 0 KHAARN COCCC(=O)Nc1c2cc(N[C@H](C)COC)cnc2n(CCc2c[nH]c3ccccc23)c1C(=O)OC ZINC000014746304 553520054 /nfs/dbraw/zinc/52/00/54/553520054.db2.gz YFYVSLOEQLRWNE-QGZVFWFLSA-N 0 0 507.591 3.969 50 0 KHAARN O=C(NCCn1ccnc1)c1cc(NCc2ccc(-c3ccco3)cc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014746460 553520061 /nfs/dbraw/zinc/52/00/61/553520061.db2.gz CJWRXJWNUGVDAL-UHFFFAOYSA-N 0 0 519.627 3.970 50 0 KHAARN COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000014746647 1066855893 /nfs/dbraw/zinc/85/58/93/1066855893.db2.gz DCNFDNRCUMZDGB-UHFFFAOYSA-N 0 0 508.644 3.793 50 0 KHAARN O=C(NCCn1ccnc1)c1cc(NCc2ccccc2-c2ccco2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014747034 1066855782 /nfs/dbraw/zinc/85/57/82/1066855782.db2.gz OKDUGJYZKLMPJG-UHFFFAOYSA-N 0 0 519.627 3.970 50 0 KHAARN COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3ccc(CO)o3)cnc2n1CCc1ccccc1 ZINC000014747660 1066855661 /nfs/dbraw/zinc/85/56/61/1066855661.db2.gz NJBBCIQTYVJJJM-QHCPKHFHSA-N 0 0 518.570 3.881 50 0 KHAARN COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NCc3ccc(CO)o3)cnc2n1CCc1ccccc1 ZINC000014747661 1066856710 /nfs/dbraw/zinc/85/67/10/1066856710.db2.gz NJBBCIQTYVJJJM-HSZRJFAPSA-N 0 0 518.570 3.881 50 0 KHAARN C[C@H](c1ccncc1)N(C)C(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)N(C)C)c1 ZINC000014749213 1066856524 /nfs/dbraw/zinc/85/65/24/1066856524.db2.gz UCVWIPXSYIWGED-GOSISDBHSA-N 0 0 510.616 3.548 50 0 KHAARN C[C@@H](c1ccncc1)N(C)C(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)N(C)C)c1 ZINC000014749214 1066856624 /nfs/dbraw/zinc/85/66/24/1066856624.db2.gz UCVWIPXSYIWGED-SFHVURJKSA-N 0 0 510.616 3.548 50 0 KHAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)CCc3scnc3C)CC2=O)cc1 ZINC000014749218 553520297 /nfs/dbraw/zinc/52/02/97/553520297.db2.gz DDYPEKXLJXCXOG-HSZRJFAPSA-N 0 0 511.619 3.988 50 0 KHAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)CCc3scnc3C)CC2=O)cc1 ZINC000014749219 553520354 /nfs/dbraw/zinc/52/03/54/553520354.db2.gz DDYPEKXLJXCXOG-QHCPKHFHSA-N 0 0 511.619 3.988 50 0 KHAARN COC(=O)c1c(NC(C)=O)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1CCc1c[nH]c2ccccc12 ZINC000014749716 553520365 /nfs/dbraw/zinc/52/03/65/553520365.db2.gz FCAKQDOAAAAPRK-UHFFFAOYSA-N 0 0 516.602 3.928 50 0 KHAARN COCC(=O)Nc1c2cc(N[C@@H](C)CC(C)(C)O)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014751542 553520570 /nfs/dbraw/zinc/52/05/70/553520570.db2.gz SFNJAPWKXBBFMS-KRWDZBQOSA-N 0 0 512.607 3.621 50 0 KHAARN COCC(=O)Nc1c2cc(N[C@H](C)CC(C)(C)O)cnc2n(CCc2ccc(OC)cc2)c1C(=O)OC ZINC000014751544 553520591 /nfs/dbraw/zinc/52/05/91/553520591.db2.gz SFNJAPWKXBBFMS-QGZVFWFLSA-N 0 0 512.607 3.621 50 0 KHAARN COc1cc(NC(=O)c2cc(NCc3cccc4c3OCO4)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1 ZINC000014753095 1066856423 /nfs/dbraw/zinc/85/64/23/1066856423.db2.gz LPHIRDWXZPVKKZ-UHFFFAOYSA-N 0 0 513.572 3.547 50 0 KHAARN COC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014753853 1066856396 /nfs/dbraw/zinc/85/63/96/1066856396.db2.gz RZGVGLUAHWENNC-IEBWSBKVSA-N 0 0 519.602 3.969 50 0 KHAARN COC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014753855 1066856680 /nfs/dbraw/zinc/85/66/80/1066856680.db2.gz RZGVGLUAHWENNC-PKOBYXMFSA-N 0 0 519.602 3.969 50 0 KHAARN COC[C@@H](C)Nc1cnc2c(c1)c(NC(=O)[C@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014753857 1066856600 /nfs/dbraw/zinc/85/66/00/1066856600.db2.gz RZGVGLUAHWENNC-MJGOQNOKSA-N 0 0 519.602 3.969 50 0 KHAARN COC[C@H](C)Nc1cnc2c(c1)c(NC(=O)[C@H]1CCOC1)c(C(=O)OC)n2CCc1c[nH]c2ccccc12 ZINC000014753859 1066856416 /nfs/dbraw/zinc/85/64/16/1066856416.db2.gz RZGVGLUAHWENNC-HKUYNNGSSA-N 0 0 519.602 3.969 50 0 KHAARN CC(C)NS(=O)(=O)c1cc(NCc2cccc3c2OCO3)cc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000014755517 1066856536 /nfs/dbraw/zinc/85/65/36/1066856536.db2.gz HBKFDQUXGUATRH-UHFFFAOYSA-N 0 0 509.584 3.997 50 0 KHAARN COc1cc2c(cc1OC)CN(Cc1cccc(O[C@@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879025 1066856458 /nfs/dbraw/zinc/85/64/58/1066856458.db2.gz DDQYNGLQRSTUFK-IBGZPJMESA-N 0 0 501.587 3.502 50 0 KHAARN COc1cc2c(cc1OC)CN(Cc1cccc(O[C@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879026 1066856607 /nfs/dbraw/zinc/85/66/07/1066856607.db2.gz DDQYNGLQRSTUFK-LJQANCHMSA-N 0 0 501.587 3.502 50 0 KHAARN COc1ccc2ccccc2c1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014879558 553520733 /nfs/dbraw/zinc/52/07/33/553520733.db2.gz KZJGUJSDFDKZEW-OFNKIYASSA-N 0 0 510.520 3.986 50 0 KHAARN COc1cc(CN2CCN(c3cccc4c3C(=O)N(CCc3cccc(F)c3)C4=O)CC2)cc2c1OCO2 ZINC000014881548 553521098 /nfs/dbraw/zinc/52/10/98/553521098.db2.gz ZSVSZOQXGGHDNQ-UHFFFAOYSA-N 0 0 517.557 3.724 50 0 KHAARN COc1cc(CN(Cc2ccncc2)C(=O)Cc2ccc(F)cc2)cc(OC)c1OCCN1CCOCC1 ZINC000014881604 553521086 /nfs/dbraw/zinc/52/10/86/553521086.db2.gz JXIJEIWBBLNPJW-UHFFFAOYSA-N 0 0 523.605 3.720 50 0 KHAARN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(OC)c(OC)c5)CC4)c3C2=O)cc1 ZINC000014882869 1066856634 /nfs/dbraw/zinc/85/66/34/1066856634.db2.gz NRQAZOBUUMQOQZ-UHFFFAOYSA-N 0 0 501.583 3.831 50 0 KHAARN Cc1nonc1CN(C)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NCCc1ccccn1 ZINC000014882937 553521055 /nfs/dbraw/zinc/52/10/55/553521055.db2.gz KFWWFQKAOZIZLV-UHFFFAOYSA-N 0 0 515.570 3.538 50 0 KHAARN O=C(CC1CCCC1)N(CCCN1CCCC1=O)Cc1cc2cc3c(cc2nc1N1CCC(O)CC1)OCO3 ZINC000014884870 1066504914 /nfs/dbraw/zinc/50/49/14/1066504914.db2.gz CYDDVUVKBUIXQD-UHFFFAOYSA-N 0 0 536.673 3.846 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)CCn3ccc(C)n3)cc12 ZINC000014886309 1066856689 /nfs/dbraw/zinc/85/66/89/1066856689.db2.gz BWBXDHPEUSVDPX-UHFFFAOYSA-N 0 0 519.602 3.806 50 0 KHAARN O=C(OCCCN1CCOCC1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000014922196 553521504 /nfs/dbraw/zinc/52/15/04/553521504.db2.gz HIFXZWYEBQXWHR-UHFFFAOYSA-N 0 0 513.226 3.713 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(NC(=O)Nc4cccc5ccccc54)CC3)C2=O)cc1 ZINC000014943950 553521735 /nfs/dbraw/zinc/52/17/35/553521735.db2.gz RXIFSMHKXKGDQX-VWLOTQADSA-N 0 0 514.582 3.935 50 0 KHAARN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954335 553522431 /nfs/dbraw/zinc/52/24/31/553522431.db2.gz YOVNFNXUCOWYSG-UHFFFAOYSA-N 0 0 570.610 3.839 50 0 in-vitro KHAARN Cc1ccn(CCC(=O)N(Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)C[C@@H]2CCCO2)n1 ZINC000014954473 1066856672 /nfs/dbraw/zinc/85/66/72/1066856672.db2.gz BNBJAUGMBLLMLF-SANMLTNESA-N 0 0 503.647 3.663 50 0 KHAARN Cc1ccn(CCC(=O)N(Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)C[C@H]2CCCO2)n1 ZINC000014954478 1066856499 /nfs/dbraw/zinc/85/64/99/1066856499.db2.gz BNBJAUGMBLLMLF-AREMUKBSSA-N 0 0 503.647 3.663 50 0 KHAARN COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)CCc1ccc(C)cc1 ZINC000014965306 553522736 /nfs/dbraw/zinc/52/27/36/553522736.db2.gz CHRGIAPROZQGBF-UHFFFAOYSA-N 0 0 518.658 3.828 50 0 KHAARN O=S(=O)(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc(Cl)c1 ZINC000014966432 553522654 /nfs/dbraw/zinc/52/26/54/553522654.db2.gz NJIHKYHKXXDQJS-UHFFFAOYSA-N 0 0 501.052 3.805 50 0 KHAARN COc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)cc1 ZINC000014969843 553522926 /nfs/dbraw/zinc/52/29/26/553522926.db2.gz PQLBPKRGSNLAIL-UHFFFAOYSA-N 0 0 520.630 3.982 50 0 KHAARN O=S(=O)(NCCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccccc1Cl ZINC000014977020 1066857285 /nfs/dbraw/zinc/85/72/85/1066857285.db2.gz DGRWTQQRKLGYJQ-UHFFFAOYSA-N 0 0 501.052 3.805 50 0 KHAARN COc1ccc(C(=O)N(CCCN2CCCC2=O)Cc2cc3ccc(OC)cc3nc2N2CCOCC2)cc1 ZINC000014978916 1066857532 /nfs/dbraw/zinc/85/75/32/1066857532.db2.gz YLYNKXJKNUEXGK-UHFFFAOYSA-N 0 0 532.641 3.744 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)c3cc(C)nn3C)cc12 ZINC000014980476 1066857462 /nfs/dbraw/zinc/85/74/62/1066857462.db2.gz JDVHWKBINGOJPV-UHFFFAOYSA-N 0 0 505.575 3.566 50 0 KHAARN COc1cc(CN2CCN(c3cccc4c3C(=O)N(CCc3ccccc3F)C4=O)CC2)cc2c1OCO2 ZINC000014981881 553523254 /nfs/dbraw/zinc/52/32/54/553523254.db2.gz FQSOAVQOSYPJIY-UHFFFAOYSA-N 0 0 517.557 3.724 50 0 KHAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cccs3)c(N3CCOCC3)nc2c1 ZINC000014983319 1066505427 /nfs/dbraw/zinc/50/54/27/1066505427.db2.gz IVZYEQLKYHDVGD-UHFFFAOYSA-N 0 0 508.644 3.796 50 0 KHAARN O=C(N1CCN(c2cccc3c2C(=O)N(Cc2ccccn2)C3=O)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000014986330 553523486 /nfs/dbraw/zinc/52/34/86/553523486.db2.gz RISZHKBTEWXAHZ-UHFFFAOYSA-N 0 0 500.986 3.912 50 0 KHAARN COC(=O)c1ccc(CN2CCN(c3cccc4c3C(=O)N(CCc3ccccc3F)C4=O)CC2)cc1 ZINC000014986606 1066857480 /nfs/dbraw/zinc/85/74/80/1066857480.db2.gz GCBDLJUAJODCAD-UHFFFAOYSA-N 0 0 501.558 3.773 50 0 KHAARN COc1cc2c(cc1OC)CN(Cc1cccc(O[C@@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987385 1066857215 /nfs/dbraw/zinc/85/72/15/1066857215.db2.gz CHKSNCKEQVDPMA-IBGZPJMESA-N 0 0 501.587 3.502 50 0 KHAARN COc1cc2c(cc1OC)CN(Cc1cccc(O[C@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987388 1066857185 /nfs/dbraw/zinc/85/71/85/1066857185.db2.gz CHKSNCKEQVDPMA-LJQANCHMSA-N 0 0 501.587 3.502 50 0 KHAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccc(OC)c(OC)c3)c(N3CCOCC3)nc2c1 ZINC000014990822 1066857447 /nfs/dbraw/zinc/85/74/47/1066857447.db2.gz MBIFYPIPKSMYJP-DEOSSOPVSA-N 0 0 521.614 3.919 50 0 KHAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccc(OC)c(OC)c3)c(N3CCOCC3)nc2c1 ZINC000014990824 1066857140 /nfs/dbraw/zinc/85/71/40/1066857140.db2.gz MBIFYPIPKSMYJP-XMMPIXPASA-N 0 0 521.614 3.919 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1 ZINC000014992768 553524183 /nfs/dbraw/zinc/52/41/83/553524183.db2.gz VTSBZJVTOLDQIC-HSZRJFAPSA-N 0 0 505.619 3.540 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(C(=O)c4cn5ccccc5n4)C3)cc2)CC1 ZINC000014992770 553524199 /nfs/dbraw/zinc/52/41/99/553524199.db2.gz VTSBZJVTOLDQIC-QHCPKHFHSA-N 0 0 505.619 3.540 50 0 KHAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3ccccc3OC)c(N3CCOCC3)nc2c1 ZINC000014993410 1066505370 /nfs/dbraw/zinc/50/53/70/1066505370.db2.gz MBAGOJPVTNNWRI-UHFFFAOYSA-N 0 0 532.641 3.744 50 0 KHAARN COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)c4ccc(N5CCCC5=O)cc4)CC[C@@H]32)cc1OC ZINC000014993423 553524347 /nfs/dbraw/zinc/52/43/47/553524347.db2.gz NWUROVIXQWZKAC-VWNXMTODSA-N 0 0 505.615 3.526 50 0 KHAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccc(OC)c3OC)c(N3CCOCC3)nc2c1 ZINC000014994790 1066857253 /nfs/dbraw/zinc/85/72/53/1066857253.db2.gz GKDAFTCIQUPACM-QHCPKHFHSA-N 0 0 521.614 3.919 50 0 KHAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccc(OC)c3OC)c(N3CCOCC3)nc2c1 ZINC000014994792 1066857527 /nfs/dbraw/zinc/85/75/27/1066857527.db2.gz GKDAFTCIQUPACM-HSZRJFAPSA-N 0 0 521.614 3.919 50 0 KHAARN CCC(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N1CCOCC1)C[C@@H]1COc2ccccc2O1 ZINC000014994891 553524333 /nfs/dbraw/zinc/52/43/33/553524333.db2.gz VSRUBZZNTMPXMB-HXUWFJFHSA-N 0 0 507.587 3.667 50 0 KHAARN CCC(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N1CCOCC1)C[C@H]1COc2ccccc2O1 ZINC000014994893 553524288 /nfs/dbraw/zinc/52/42/88/553524288.db2.gz VSRUBZZNTMPXMB-FQEVSTJZSA-N 0 0 507.587 3.667 50 0 KHAARN Cc1c(Cl)cccc1S(=O)(=O)NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1 ZINC000014996385 553524575 /nfs/dbraw/zinc/52/45/75/553524575.db2.gz POWFVMDHLRVURU-UHFFFAOYSA-N 0 0 516.067 3.508 50 0 KHAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C(C)=C/c3ccccc3)C2)nn1 ZINC000014997565 553524602 /nfs/dbraw/zinc/52/46/02/553524602.db2.gz QHJMDSZUJJNWOI-YGQUFRLJSA-N 0 0 512.614 3.624 50 0 KHAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3ccccc3F)c(N3CCOCC3)nc2c1 ZINC000014999667 1066857453 /nfs/dbraw/zinc/85/74/53/1066857453.db2.gz MYWTXHBJCBHGLO-UHFFFAOYSA-N 0 0 520.605 3.874 50 0 KHAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CN1Cc1cc(OC)cc(OC)c1 ZINC000014999715 1066857399 /nfs/dbraw/zinc/85/73/99/1066857399.db2.gz QUXQGTGDMYIWQE-YWZLYKJASA-N 0 0 500.901 3.922 50 0 KHAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N(Cc3cccs3)C2)nn1 ZINC000015000312 553524971 /nfs/dbraw/zinc/52/49/71/553524971.db2.gz VZQFRJZQLABPLP-URXFXBBRSA-N 0 0 501.612 3.848 50 0 KHAARN COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)cc2)ccc1OCCc1ccccn1 ZINC000015000357 1066857266 /nfs/dbraw/zinc/85/72/66/1066857266.db2.gz DOIOTCZFGDWZFZ-DEOSSOPVSA-N 0 0 527.618 3.710 50 0 KHAARN CCOc1cc(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)ccc1OC ZINC000015000899 553524844 /nfs/dbraw/zinc/52/48/44/553524844.db2.gz SACJGYOUAAGYBM-UHFFFAOYSA-N 0 0 517.630 3.526 50 0 KHAARN COc1ccccc1C(=O)N(CCCN1CCCC1=O)Cc1cc2c(OC)ccc(OC)c2nc1N(C)C ZINC000015004032 1066505454 /nfs/dbraw/zinc/50/54/54/1066505454.db2.gz SVZBNAFSYKBVCA-UHFFFAOYSA-N 0 0 520.630 3.982 50 0 KHAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(Cc3nc(C)cs3)C4=O)CC2)c(OC)c1C ZINC000015004909 1066857496 /nfs/dbraw/zinc/85/74/96/1066857496.db2.gz WRUVZXZYINNGNY-UHFFFAOYSA-N 0 0 506.628 3.896 50 0 KHAARN COc1cc(CN2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc(OC)c1O ZINC000015007200 553525176 /nfs/dbraw/zinc/52/51/76/553525176.db2.gz NPFOQGXMIPHMQK-UHFFFAOYSA-N 0 0 505.546 3.667 50 0 KHAARN CN(C[C@@H]1COCCO1)c1nc(-c2cccs2)ccc1C(=O)NCC1(N2CCOCC2)CCCCCC1 ZINC000015007457 553525112 /nfs/dbraw/zinc/52/51/12/553525112.db2.gz VJDCGKHNARFNSI-JOCHJYFZSA-N 0 0 528.719 3.817 50 0 KHAARN CN(C[C@H]1COCCO1)c1nc(-c2cccs2)ccc1C(=O)NCC1(N2CCOCC2)CCCCCC1 ZINC000015007460 553525056 /nfs/dbraw/zinc/52/50/56/553525056.db2.gz VJDCGKHNARFNSI-QFIPXVFZSA-N 0 0 528.719 3.817 50 0 KHAARN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c1OC(C)C ZINC000015013592 553525628 /nfs/dbraw/zinc/52/56/28/553525628.db2.gz NJARIFGTDUTURT-PXLXIMEGSA-N 0 0 511.600 3.994 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019034 553526449 /nfs/dbraw/zinc/52/64/49/553526449.db2.gz PFAQKMVSKXNAEQ-CYBMUJFWSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000015019035 553526434 /nfs/dbraw/zinc/52/64/34/553526434.db2.gz PFAQKMVSKXNAEQ-ZDUSSCGKSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2cccc(Br)c2)n1C)N1C(=O)COc2ccccc21 ZINC000015019052 553526474 /nfs/dbraw/zinc/52/64/74/553526474.db2.gz JMIMUXYZOCVPBW-CYBMUJFWSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2cccc(Br)c2)n1C)N1C(=O)COc2ccccc21 ZINC000015019053 553526459 /nfs/dbraw/zinc/52/64/59/553526459.db2.gz JMIMUXYZOCVPBW-ZDUSSCGKSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccccc2Br)n1C)N1C(=O)COc2ccccc21 ZINC000015019074 553526438 /nfs/dbraw/zinc/52/64/38/553526438.db2.gz DONVRNIFVGILEZ-CYBMUJFWSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccccc2Br)n1C)N1C(=O)COc2ccccc21 ZINC000015019075 553526465 /nfs/dbraw/zinc/52/64/65/553526465.db2.gz DONVRNIFVGILEZ-ZDUSSCGKSA-N 0 0 502.394 3.795 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1C)N1C(=O)COc2ccccc21 ZINC000015019100 553526475 /nfs/dbraw/zinc/52/64/75/553526475.db2.gz NEUFVZOPANOUDZ-CQSZACIVSA-N 0 0 507.601 3.551 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1C)N1C(=O)COc2ccccc21 ZINC000015019101 553526734 /nfs/dbraw/zinc/52/67/34/553526734.db2.gz NEUFVZOPANOUDZ-AWEZNQCLSA-N 0 0 507.601 3.551 50 0 KHAARN CN(C[C@@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)NCC1(N2CCOCC2)CCCCCC1 ZINC000015066901 553527108 /nfs/dbraw/zinc/52/71/08/553527108.db2.gz XMJYUCUZBDQRRF-HSZRJFAPSA-N 0 0 528.719 3.817 50 0 KHAARN CN(C[C@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)NCC1(N2CCOCC2)CCCCCC1 ZINC000015066903 553527053 /nfs/dbraw/zinc/52/70/53/553527053.db2.gz XMJYUCUZBDQRRF-QHCPKHFHSA-N 0 0 528.719 3.817 50 0 KHAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cc(OC)cc(OC)c3)c(N3CCOCC3)nc2c1 ZINC000015068210 1066857316 /nfs/dbraw/zinc/85/73/16/1066857316.db2.gz KFGSBZOYWQAVMY-DEOSSOPVSA-N 0 0 521.614 3.919 50 0 KHAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cc(OC)cc(OC)c3)c(N3CCOCC3)nc2c1 ZINC000015068212 1066857519 /nfs/dbraw/zinc/85/75/19/1066857519.db2.gz KFGSBZOYWQAVMY-XMMPIXPASA-N 0 0 521.614 3.919 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CC3CCCCC3)C4=O)CC2)C1 ZINC000015069000 553527284 /nfs/dbraw/zinc/52/72/84/553527284.db2.gz QBWRXXYDMGDLCI-JOCHJYFZSA-N 0 0 509.647 3.881 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CC3CCCCC3)C4=O)CC2)C1 ZINC000015069002 553527301 /nfs/dbraw/zinc/52/73/01/553527301.db2.gz QBWRXXYDMGDLCI-QFIPXVFZSA-N 0 0 509.647 3.881 50 0 KHAARN COc1ccccc1-c1ccc(C(=O)N[C@H]2CCCCNC2=O)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000015069618 553527403 /nfs/dbraw/zinc/52/74/03/553527403.db2.gz BJYSYNAZOIFBDN-DEOSSOPVSA-N 0 0 517.605 3.621 50 0 KHAARN COCc1c(C(=O)NCC2(N3CCOCC3)CCCC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000015069926 553527428 /nfs/dbraw/zinc/52/74/28/553527428.db2.gz IYTJBJSTYOFAJC-UHFFFAOYSA-N 0 0 503.643 3.879 50 0 KHAARN O=C(Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015081003 553527619 /nfs/dbraw/zinc/52/76/19/553527619.db2.gz NRDVQPPFAVOZEE-XMMPIXPASA-N 0 0 523.014 3.890 50 0 KHAARN O=C(Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015081005 553527574 /nfs/dbraw/zinc/52/75/74/553527574.db2.gz NRDVQPPFAVOZEE-DEOSSOPVSA-N 0 0 523.014 3.890 50 0 KHAARN COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O ZINC000015081124 553527568 /nfs/dbraw/zinc/52/75/68/553527568.db2.gz HRSWADFWTNGBOC-JMDODURXSA-N 0 0 518.566 3.727 50 0 KHAARN COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)[C@H](C(=O)Nc2ccccc2OC)C(=O)C[C@]1(C)O ZINC000015081129 553527622 /nfs/dbraw/zinc/52/76/22/553527622.db2.gz HRSWADFWTNGBOC-BVXNIFABSA-N 0 0 518.566 3.727 50 0 KHAARN CCCC[C@@H](CC)Cn1c(SCCn2nnc(-c3ccc(Cl)cc3)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000015081705 553527627 /nfs/dbraw/zinc/52/76/27/553527627.db2.gz NGSUPMAKHMBBMQ-MRXNPFEDSA-N 0 0 531.086 3.749 50 0 KHAARN CCCC[C@H](CC)Cn1c(SCCn2nnc(-c3ccc(Cl)cc3)n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000015081707 553527639 /nfs/dbraw/zinc/52/76/39/553527639.db2.gz NGSUPMAKHMBBMQ-INIZCTEOSA-N 0 0 531.086 3.749 50 0 KHAARN CCCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC4(CC2)OCCO4)C3=O)cc1 ZINC000015082422 553527581 /nfs/dbraw/zinc/52/75/81/553527581.db2.gz LAEDTMVAXXMEAU-MHZLTWQESA-N 0 0 509.628 3.551 50 0 KHAARN CCCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC4(CC2)OCCO4)C3=O)cc1 ZINC000015082424 553527640 /nfs/dbraw/zinc/52/76/40/553527640.db2.gz LAEDTMVAXXMEAU-HHHXNRCGSA-N 0 0 509.628 3.551 50 0 KHAARN CCCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCC(C(=O)OCC)CC2)C3=O)cc1 ZINC000015082430 553527594 /nfs/dbraw/zinc/52/75/94/553527594.db2.gz QUYTXCXRLMHHNM-NDEPHWFRSA-N 0 0 523.655 3.987 50 0 KHAARN CCCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCC(C(=O)OCC)CC2)C3=O)cc1 ZINC000015082432 553527613 /nfs/dbraw/zinc/52/76/13/553527613.db2.gz QUYTXCXRLMHHNM-MUUNZHRXSA-N 0 0 523.655 3.987 50 0 KHAARN Cc1ccc(-c2nnc(Cn3c4ccccc4c(=O)n(Cc4nnc(-c5ccc(C)cc5)o4)c3=O)o2)cc1 ZINC000015082439 553527586 /nfs/dbraw/zinc/52/75/86/553527586.db2.gz OTRUUKFWZRSDAM-UHFFFAOYSA-N 0 0 506.522 3.977 50 0 KHAARN COc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1OCC(N)=O ZINC000015082689 553527604 /nfs/dbraw/zinc/52/76/04/553527604.db2.gz SSCKCWPOWOKVDC-HNNXBMFYSA-N 0 0 506.989 3.581 50 0 KHAARN COc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1OCC(N)=O ZINC000015082692 553527564 /nfs/dbraw/zinc/52/75/64/553527564.db2.gz SSCKCWPOWOKVDC-OAHLLOKOSA-N 0 0 506.989 3.581 50 0 KHAARN O=C1CS[C@@]2(c3ccccc3N(CN3CCOCC3)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000015084582 553527839 /nfs/dbraw/zinc/52/78/39/553527839.db2.gz AAAFFVYYGIWDID-MUUNZHRXSA-N 0 0 501.608 3.835 50 0 KHAARN O=C1CS[C@]2(c3ccccc3N(CN3CCOCC3)C2=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000015084584 553527827 /nfs/dbraw/zinc/52/78/27/553527827.db2.gz AAAFFVYYGIWDID-NDEPHWFRSA-N 0 0 501.608 3.835 50 0 KHAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)cc1 ZINC000015225220 553529164 /nfs/dbraw/zinc/52/91/64/553529164.db2.gz PIYDPOYKYDQLJV-UHFFFAOYSA-N 0 0 516.591 3.670 50 0 KHAARN CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(I)cc1 ZINC000015225786 553529310 /nfs/dbraw/zinc/52/93/10/553529310.db2.gz IXIVHWPWUNDBEU-UHFFFAOYSA-N 0 0 512.413 3.539 50 0 KHAARN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000015226214 553529292 /nfs/dbraw/zinc/52/92/92/553529292.db2.gz PBEPRJAVQJZXJD-UHFFFAOYSA-N 0 0 514.445 3.993 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000015230000 553529873 /nfs/dbraw/zinc/52/98/73/553529873.db2.gz HZYIPOWLUYOAKW-UHFFFAOYSA-N 0 0 528.627 3.584 50 0 KHAARN COc1ccc(CCNC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000015231059 553529920 /nfs/dbraw/zinc/52/99/20/553529920.db2.gz UMDYIYDFQMMZMK-UHFFFAOYSA-N 0 0 512.628 3.883 50 0 KHAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000015276599 553530540 /nfs/dbraw/zinc/53/05/40/553530540.db2.gz JCHVFIQQFQGZCD-OAHLLOKOSA-N 0 0 514.522 3.685 50 0 KHAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000015276601 553530593 /nfs/dbraw/zinc/53/05/93/553530593.db2.gz JCHVFIQQFQGZCD-HNNXBMFYSA-N 0 0 514.522 3.685 50 0 KHAARN COC(=O)c1c(N[C@@](NC(=O)c2ccccc2OC)(C(=O)OC)C(F)(F)F)sc2c1CCCC2 ZINC000015304120 553530981 /nfs/dbraw/zinc/53/09/81/553530981.db2.gz VBBUPVBNMLIWMB-NRFANRHFSA-N 0 0 500.495 3.696 50 0 KHAARN COC(=O)c1c(N[C@](NC(=O)c2ccccc2OC)(C(=O)OC)C(F)(F)F)sc2c1CCCC2 ZINC000015304123 553530962 /nfs/dbraw/zinc/53/09/62/553530962.db2.gz VBBUPVBNMLIWMB-OAQYLSRUSA-N 0 0 500.495 3.696 50 0 KHAARN COc1ccc(-n2c(=O)[nH]c(=O)c3c2NC(c2cccc(OC)c2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000015304629 553531129 /nfs/dbraw/zinc/53/11/29/553531129.db2.gz DLJOOAYTYUYXEW-UHFFFAOYSA-N 0 0 514.382 3.735 50 0 KHAARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(CCc4ccccc4)c3N2)cc1 ZINC000015304776 553531069 /nfs/dbraw/zinc/53/10/69/553531069.db2.gz TZXHTUOZLMKFKJ-UHFFFAOYSA-N 0 0 512.410 3.980 50 0 KHAARN COc1cc([C@H]2[C@@H](C(=O)OCc3ccccc3)[C@](C)(O)CC(=O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000015306699 553531381 /nfs/dbraw/zinc/53/13/81/553531381.db2.gz IFDAJMORJMNCKW-KMFVSHEXSA-N 0 0 518.562 3.927 50 0 KHAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000015307466 553531483 /nfs/dbraw/zinc/53/14/83/553531483.db2.gz KJHQLDSMIUCYRW-LJQANCHMSA-N 0 0 500.340 3.679 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320770 553532179 /nfs/dbraw/zinc/53/21/79/553532179.db2.gz RYTYTLZGUWPGTO-QFIPXVFZSA-N 0 0 506.559 3.929 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2Cc2ccccn2)cc1 ZINC000015320773 553532177 /nfs/dbraw/zinc/53/21/77/553532177.db2.gz RYTYTLZGUWPGTO-JOCHJYFZSA-N 0 0 506.559 3.929 50 0 KHAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(=O)c5ccc(F)cc5)cc4)CC3)C2=O)c1 ZINC000015321395 553532221 /nfs/dbraw/zinc/53/22/21/553532221.db2.gz DFIILJKWLOWXBI-AREMUKBSSA-N 0 0 501.558 3.910 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)cc1 ZINC000015321550 553532279 /nfs/dbraw/zinc/53/22/79/553532279.db2.gz JCDYJRVXFXOPEV-QHCPKHFHSA-N 0 0 517.607 3.610 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000015356696 553532554 /nfs/dbraw/zinc/53/25/54/553532554.db2.gz LXSFUIJBYUSIHQ-UHFFFAOYSA-N 0 0 517.007 3.524 50 0 KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)N(C)CC3)OCO2 ZINC000015414832 553532793 /nfs/dbraw/zinc/53/27/93/553532793.db2.gz NPQVVGIVWNIPKE-XMMPIXPASA-N 0 0 516.602 3.597 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCC4=CCCCC4)cc1)N(C)CC3)OCO2 ZINC000015414835 553532871 /nfs/dbraw/zinc/53/28/71/553532871.db2.gz NPQVVGIVWNIPKE-DEOSSOPVSA-N 0 0 516.602 3.597 50 0 biogenic KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)N(C)CC3)OCO2 ZINC000015414870 553532736 /nfs/dbraw/zinc/53/27/36/553532736.db2.gz JHAHTZGULNUYQG-XMMPIXPASA-N 0 0 512.570 3.846 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4cc(C)cc(C)c4)cc1)N(C)CC3)OCO2 ZINC000015414873 553532914 /nfs/dbraw/zinc/53/29/14/553532914.db2.gz JHAHTZGULNUYQG-DEOSSOPVSA-N 0 0 512.570 3.846 50 0 biogenic KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)N(C)CC3)OCO2 ZINC000015415496 553533317 /nfs/dbraw/zinc/53/33/17/553533317.db2.gz KRJQINHHUYZNGC-XMMPIXPASA-N 0 0 512.570 3.846 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)Nc4c(C)cccc4C)c1)N(C)CC3)OCO2 ZINC000015415499 553533339 /nfs/dbraw/zinc/53/33/39/553533339.db2.gz KRJQINHHUYZNGC-DEOSSOPVSA-N 0 0 512.570 3.846 50 0 biogenic KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)N(C)CC3)OCO2 ZINC000015415536 553533286 /nfs/dbraw/zinc/53/32/86/553533286.db2.gz VUVALJDBSKAYMD-JOCHJYFZSA-N 0 0 518.961 3.883 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(NC(=O)c4ccccc4Cl)c1)N(C)CC3)OCO2 ZINC000015415539 553533331 /nfs/dbraw/zinc/53/33/31/553533331.db2.gz VUVALJDBSKAYMD-QFIPXVFZSA-N 0 0 518.961 3.883 50 0 biogenic KHAARN O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1)c1ccccc1 ZINC000015441333 553533301 /nfs/dbraw/zinc/53/33/01/553533301.db2.gz ABJYDWDJRPIIDW-UHFFFAOYSA-N 0 0 502.643 3.940 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1)c1ccc(F)cc1 ZINC000015441341 553533479 /nfs/dbraw/zinc/53/34/79/553533479.db2.gz GINUXNIPBZWTIL-UHFFFAOYSA-N 0 0 506.606 3.689 50 0 KHAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2cc(=O)[nH]c3ccccc32)nc1C ZINC000015587441 553533722 /nfs/dbraw/zinc/53/37/22/553533722.db2.gz FMZAROCUGFKIBH-UHFFFAOYSA-N 0 0 505.552 3.860 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000015623603 553533706 /nfs/dbraw/zinc/53/37/06/553533706.db2.gz OAOMMDSPEDNQGF-OAQYLSRUSA-N 0 0 504.547 3.918 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000015623606 553533676 /nfs/dbraw/zinc/53/36/76/553533676.db2.gz OAOMMDSPEDNQGF-NRFANRHFSA-N 0 0 504.547 3.918 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000015623803 1066328254 /nfs/dbraw/zinc/32/82/54/1066328254.db2.gz HHUKTCJBFUJKGD-DBZAVIBRSA-N 0 0 509.628 3.964 50 0 KHAARN CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000015634976 553533708 /nfs/dbraw/zinc/53/37/08/553533708.db2.gz PLSVTAYIRPOECA-UHFFFAOYSA-N 0 0 504.568 3.585 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000015635025 553533712 /nfs/dbraw/zinc/53/37/12/553533712.db2.gz YYFRKVHSUJCLII-DEOSSOPVSA-N 0 0 505.562 3.992 50 0 KHAARN COc1ccc(Br)cc1CNC(=O)c1ccc2c(c1)S(=O)(=O)CC(=O)N2CCC(C)C ZINC000015732125 553535485 /nfs/dbraw/zinc/53/54/85/553535485.db2.gz WZVGGKVCBGVOHA-UHFFFAOYSA-N 0 0 509.422 3.554 50 0 KHAARN COc1ccc(CNC(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)cc1 ZINC000015732909 553535442 /nfs/dbraw/zinc/53/54/42/553535442.db2.gz HKYVLRDOFOIYPP-UHFFFAOYSA-N 0 0 506.580 3.737 50 0 KHAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccccc4OC)cc3)S2(=O)=O)cc1 ZINC000015732915 553535478 /nfs/dbraw/zinc/53/54/78/553535478.db2.gz JFCWXNNYBDNGQY-UHFFFAOYSA-N 0 0 506.580 3.737 50 0 KHAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)S2(=O)=O)cc1 ZINC000015732916 553535483 /nfs/dbraw/zinc/53/54/83/553535483.db2.gz PUMGLKFRQNPHDP-UHFFFAOYSA-N 0 0 520.563 3.822 50 0 KHAARN COc1ccc(C)cc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@H](C)C1=O ZINC000015785581 553536385 /nfs/dbraw/zinc/53/63/85/553536385.db2.gz QQHHTBKCBQWNLD-KRWDZBQOSA-N 0 0 503.646 3.502 50 0 KHAARN COc1ccc(C)cc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@@H](C)C1=O ZINC000015785582 553536391 /nfs/dbraw/zinc/53/63/91/553536391.db2.gz QQHHTBKCBQWNLD-QGZVFWFLSA-N 0 0 503.646 3.502 50 0 KHAARN C[C@@H]1CC(=O)N(CC(=O)N(C)Cc2ccccc2)c2cc(S(=O)(=O)N3CCCCC3)ccc2S1 ZINC000015785587 553536406 /nfs/dbraw/zinc/53/64/06/553536406.db2.gz NXZWPFIWQMHWAH-LJQANCHMSA-N 0 0 501.674 3.737 50 0 KHAARN C[C@H]1CC(=O)N(CC(=O)N(C)Cc2ccccc2)c2cc(S(=O)(=O)N3CCCCC3)ccc2S1 ZINC000015785588 553536379 /nfs/dbraw/zinc/53/63/79/553536379.db2.gz NXZWPFIWQMHWAH-IBGZPJMESA-N 0 0 501.674 3.737 50 0 KHAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@H](C)CC1=O ZINC000015785593 553536424 /nfs/dbraw/zinc/53/64/24/553536424.db2.gz NPGGBDLMWHCEST-QGZVFWFLSA-N 0 0 503.646 3.726 50 0 KHAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCCC3)ccc2S[C@@H](C)CC1=O ZINC000015785594 553536556 /nfs/dbraw/zinc/53/65/56/553536556.db2.gz NPGGBDLMWHCEST-KRWDZBQOSA-N 0 0 503.646 3.726 50 0 KHAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)cc1 ZINC000015785599 553536615 /nfs/dbraw/zinc/53/66/15/553536615.db2.gz YAMKEQKUXKURKS-QGZVFWFLSA-N 0 0 503.646 3.726 50 0 KHAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)cc1 ZINC000015785600 553536626 /nfs/dbraw/zinc/53/66/26/553536626.db2.gz YAMKEQKUXKURKS-KRWDZBQOSA-N 0 0 503.646 3.726 50 0 KHAARN C[C@@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cc(S(=O)(=O)N3CCCCC3)ccc2S1 ZINC000015785611 553536566 /nfs/dbraw/zinc/53/65/66/553536566.db2.gz HJCZQTVDVSHXIE-OAHLLOKOSA-N 0 0 509.600 3.995 50 0 KHAARN C[C@H]1CC(=O)N(CC(=O)Nc2ccc(F)cc2F)c2cc(S(=O)(=O)N3CCCCC3)ccc2S1 ZINC000015785612 553536606 /nfs/dbraw/zinc/53/66/06/553536606.db2.gz HJCZQTVDVSHXIE-HNNXBMFYSA-N 0 0 509.600 3.995 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N(C)Cc2ccccc2)C(=O)C[C@H](C)S3)CC1 ZINC000015785619 553536634 /nfs/dbraw/zinc/53/66/34/553536634.db2.gz POWDBWCQLBHBHG-FQEVSTJZSA-N 0 0 515.701 3.983 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N(C)Cc2ccccc2)C(=O)C[C@@H](C)S3)CC1 ZINC000015785620 553536551 /nfs/dbraw/zinc/53/65/51/553536551.db2.gz POWDBWCQLBHBHG-HXUWFJFHSA-N 0 0 515.701 3.983 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CC(=O)OC)cc1 ZINC000015799229 553536788 /nfs/dbraw/zinc/53/67/88/553536788.db2.gz OYGZNSAVDWZOHQ-IBGZPJMESA-N 0 0 523.533 3.998 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CC(=O)OC)cc1 ZINC000015799230 553536744 /nfs/dbraw/zinc/53/67/44/553536744.db2.gz OYGZNSAVDWZOHQ-LJQANCHMSA-N 0 0 523.533 3.998 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)COc1cc(CN2CCN(c3ccccc3)CC2)ncc1OC ZINC000015825273 553536778 /nfs/dbraw/zinc/53/67/78/553536778.db2.gz ISSNNDKBKXBDEA-UHFFFAOYSA-N 0 0 504.587 3.607 50 0 KHAARN CCc1ccc(N2C(=O)N(CC(=O)NCc3cccc(OC)c3OC)c3ccccc3S2(=O)=O)cc1 ZINC000015827301 553536956 /nfs/dbraw/zinc/53/69/56/553536956.db2.gz HTCFANXECUXANI-UHFFFAOYSA-N 0 0 509.584 3.718 50 0 KHAARN COc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1OC ZINC000015827338 553537048 /nfs/dbraw/zinc/53/70/48/553537048.db2.gz FPMVADVWCSCRFT-UHFFFAOYSA-N 0 0 515.975 3.809 50 0 KHAARN COc1ccc(CNC(=O)C2CCN(c3nc4ccsc4c(=O)n3-c3cccc(OC)c3)CC2)cc1 ZINC000015829477 553537176 /nfs/dbraw/zinc/53/71/76/553537176.db2.gz YZRPLPAMBIIFTK-UHFFFAOYSA-N 0 0 504.612 3.997 50 0 KHAARN O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)c1nnc(COc2ccccc2)s1 ZINC000015864068 553538833 /nfs/dbraw/zinc/53/88/33/553538833.db2.gz CBRVRCFBWHEKHL-UHFFFAOYSA-N 0 0 517.567 3.561 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000015865911 553539278 /nfs/dbraw/zinc/53/92/78/553539278.db2.gz ONKOAQWWCMWQHG-MRXNPFEDSA-N 0 0 504.634 3.766 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000015865912 553539215 /nfs/dbraw/zinc/53/92/15/553539215.db2.gz ONKOAQWWCMWQHG-INIZCTEOSA-N 0 0 504.634 3.766 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3ccno3)cc2)C1 ZINC000015865913 553539234 /nfs/dbraw/zinc/53/92/34/553539234.db2.gz CWUJMOCNNXKXLY-GOSISDBHSA-N 0 0 500.577 3.503 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3ccno3)cc2)C1 ZINC000015865914 553539260 /nfs/dbraw/zinc/53/92/60/553539260.db2.gz CWUJMOCNNXKXLY-SFHVURJKSA-N 0 0 500.577 3.503 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccno3)c2)C1 ZINC000015865915 553539233 /nfs/dbraw/zinc/53/92/33/553539233.db2.gz SHPZIJXMMQXDCF-GOSISDBHSA-N 0 0 500.577 3.503 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccno3)c2)C1 ZINC000015865917 553539244 /nfs/dbraw/zinc/53/92/44/553539244.db2.gz SHPZIJXMMQXDCF-SFHVURJKSA-N 0 0 500.577 3.503 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000015865957 553539487 /nfs/dbraw/zinc/53/94/87/553539487.db2.gz QJBYXZMJNOYUQH-HSZRJFAPSA-N 0 0 513.660 3.535 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000015865958 553539510 /nfs/dbraw/zinc/53/95/10/553539510.db2.gz QJBYXZMJNOYUQH-QHCPKHFHSA-N 0 0 513.660 3.535 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000015865979 553539494 /nfs/dbraw/zinc/53/94/94/553539494.db2.gz CSWNMRDOUUKMBP-HXUWFJFHSA-N 0 0 503.621 3.544 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000015865980 553539485 /nfs/dbraw/zinc/53/94/85/553539485.db2.gz CSWNMRDOUUKMBP-FQEVSTJZSA-N 0 0 503.621 3.544 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000015865991 553539477 /nfs/dbraw/zinc/53/94/77/553539477.db2.gz CWKHDWOKBBLKFN-LJQANCHMSA-N 0 0 510.056 3.672 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000015865992 553539512 /nfs/dbraw/zinc/53/95/12/553539512.db2.gz CWKHDWOKBBLKFN-IBGZPJMESA-N 0 0 510.056 3.672 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000015865993 553539463 /nfs/dbraw/zinc/53/94/63/553539463.db2.gz OGHRUUIXLTVQOY-LJQANCHMSA-N 0 0 510.056 3.672 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000015865994 553539450 /nfs/dbraw/zinc/53/94/50/553539450.db2.gz OGHRUUIXLTVQOY-IBGZPJMESA-N 0 0 510.056 3.672 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000015866023 553539475 /nfs/dbraw/zinc/53/94/75/553539475.db2.gz IVARWPHQBJEVEE-HXUWFJFHSA-N 0 0 503.621 3.544 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000015866024 553539455 /nfs/dbraw/zinc/53/94/55/553539455.db2.gz IVARWPHQBJEVEE-FQEVSTJZSA-N 0 0 503.621 3.544 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2OC)C1 ZINC000015866041 553539489 /nfs/dbraw/zinc/53/94/89/553539489.db2.gz SGFKRJXAGCGPCR-LJQANCHMSA-N 0 0 505.637 3.658 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2OC)C1 ZINC000015866042 553539634 /nfs/dbraw/zinc/53/96/34/553539634.db2.gz SGFKRJXAGCGPCR-IBGZPJMESA-N 0 0 505.637 3.658 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1 ZINC000015866047 553539638 /nfs/dbraw/zinc/53/96/38/553539638.db2.gz KWRSGYNYAZQMEN-HXUWFJFHSA-N 0 0 518.680 3.715 50 0 KHAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1 ZINC000015866048 553539656 /nfs/dbraw/zinc/53/96/56/553539656.db2.gz KWRSGYNYAZQMEN-FQEVSTJZSA-N 0 0 518.680 3.715 50 0 KHAARN COc1cccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(F)c3)C2=O)c1OC ZINC000015868397 553539636 /nfs/dbraw/zinc/53/96/36/553539636.db2.gz RAKRZLSCDKSWIA-UHFFFAOYSA-N 0 0 513.547 3.603 50 0 KHAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000015880251 553539865 /nfs/dbraw/zinc/53/98/65/553539865.db2.gz OCZJZUSSOIWPKE-UHFFFAOYSA-N 0 0 502.687 3.802 50 0 KHAARN NS(=O)(=O)c1ccc(N=P(N2CCOCC2)(N2CCOCC2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000015906259 553540376 /nfs/dbraw/zinc/54/03/76/553540376.db2.gz HEZHTPDVHXWZNB-UHFFFAOYSA-N 0 0 508.625 3.630 50 0 KHAARN COc1ccc(C(c2c(C)nn(-c3nc(C)cc(C)n3)c2N)c2c(C)nn(-c3nc(C)cc(C)n3)c2N)cc1 ZINC000015906745 553540554 /nfs/dbraw/zinc/54/05/54/553540554.db2.gz FGRPAEATJBYFSJ-UHFFFAOYSA-N 0 0 524.633 3.842 50 0 KHAARN CC(C)c1ccc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000015910578 553540843 /nfs/dbraw/zinc/54/08/43/553540843.db2.gz HNJUPDLRDYQGEU-UHFFFAOYSA-N 0 0 504.605 3.602 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCCC3)n2CCc2ccccc2)c1 ZINC000015911738 553541473 /nfs/dbraw/zinc/54/14/73/553541473.db2.gz LROWTACNEBNOLD-UHFFFAOYSA-N 0 0 527.716 3.933 50 0 KHAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000015912344 553541619 /nfs/dbraw/zinc/54/16/19/553541619.db2.gz SRNFISGYNMLSNP-SDNWHVSQSA-N 0 0 522.579 3.695 50 0 KHAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000015912485 553541662 /nfs/dbraw/zinc/54/16/62/553541662.db2.gz NCZRJWLRFREIKR-UHFFFAOYSA-N 0 0 523.721 3.960 50 0 KHAARN Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1S(=O)(=O)N1CCCCC1 ZINC000015912625 553541637 /nfs/dbraw/zinc/54/16/37/553541637.db2.gz JTWGONWXFAOVKM-UHFFFAOYSA-N 0 0 500.404 3.854 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000015913102 553542105 /nfs/dbraw/zinc/54/21/05/553542105.db2.gz GTAKUDOXSIPAPS-OAQYLSRUSA-N 0 0 527.643 3.677 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000015913104 553542116 /nfs/dbraw/zinc/54/21/16/553542116.db2.gz GTAKUDOXSIPAPS-NRFANRHFSA-N 0 0 527.643 3.677 50 0 KHAARN NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000015913169 553542121 /nfs/dbraw/zinc/54/21/21/553542121.db2.gz LKTZGJDGZKYHDJ-NRFANRHFSA-N 0 0 509.559 3.523 50 0 KHAARN COCCN(CCOC)C(=O)COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000015913895 553542262 /nfs/dbraw/zinc/54/22/62/553542262.db2.gz SNBSMPFRWBGBRD-UHFFFAOYSA-N 0 0 508.600 3.736 50 0 KHAARN CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015919232 553542215 /nfs/dbraw/zinc/54/22/15/553542215.db2.gz FNBYACVHFBEFHX-UHFFFAOYSA-N 0 0 527.618 3.777 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 ZINC000015919267 553542271 /nfs/dbraw/zinc/54/22/71/553542271.db2.gz LPRRIDOSKVWVPY-UHFFFAOYSA-N 0 0 506.584 3.570 50 0 KHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000015934628 553542598 /nfs/dbraw/zinc/54/25/98/553542598.db2.gz SDYKYACEWQFTCE-UHFFFAOYSA-N 0 0 520.655 3.525 50 0 KHAARN C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C(=O)N(C)Cc1ccccc1 ZINC000015934663 553542679 /nfs/dbraw/zinc/54/26/79/553542679.db2.gz KNUVGFSHCXFTPA-QGZVFWFLSA-N 0 0 512.550 3.696 50 0 KHAARN C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C(=O)N(C)Cc1ccccc1 ZINC000015934664 553542616 /nfs/dbraw/zinc/54/26/16/553542616.db2.gz KNUVGFSHCXFTPA-KRWDZBQOSA-N 0 0 512.550 3.696 50 0 KHAARN CCCCCN(C(=O)CCC(=O)OCc1ccccc1C(F)(F)F)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015934740 553542556 /nfs/dbraw/zinc/54/25/56/553542556.db2.gz FVUKOFXKNDQQEI-UHFFFAOYSA-N 0 0 526.556 3.985 50 0 KHAARN CCCCCN(C(=O)CCC(=O)OCc1cccc(C(F)(F)F)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015934899 553542683 /nfs/dbraw/zinc/54/26/83/553542683.db2.gz ZACLCWPPZKWXAJ-UHFFFAOYSA-N 0 0 526.556 3.985 50 0 KHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OCC ZINC000015940476 553543227 /nfs/dbraw/zinc/54/32/27/553543227.db2.gz ZMEBETLRPKXTTD-UHFFFAOYSA-N 0 0 517.648 3.678 50 0 KHAARN O=C(COc1ccc(F)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000015940525 553543251 /nfs/dbraw/zinc/54/32/51/553543251.db2.gz PHOWSOORVSRGIN-UHFFFAOYSA-N 0 0 512.003 3.508 50 0 KHAARN CCCCCCn1nc(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)c2ccccc2c1=O ZINC000015940719 553543171 /nfs/dbraw/zinc/54/31/71/553543171.db2.gz IIPAJDYZYITXGB-UHFFFAOYSA-N 0 0 510.639 3.512 50 0 KHAARN CCCCN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015940835 553543438 /nfs/dbraw/zinc/54/34/38/553543438.db2.gz DPTFUQWVSWJMGN-UHFFFAOYSA-N 0 0 506.632 3.749 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1Cl ZINC000015941402 553543410 /nfs/dbraw/zinc/54/34/10/553543410.db2.gz HILYIXJGNMAKDS-GOSISDBHSA-N 0 0 506.024 3.687 50 0 KHAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1Cl ZINC000015941404 553543433 /nfs/dbraw/zinc/54/34/33/553543433.db2.gz HILYIXJGNMAKDS-SFHVURJKSA-N 0 0 506.024 3.687 50 0 KHAARN CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Br)C1 ZINC000015943282 553543645 /nfs/dbraw/zinc/54/36/45/553543645.db2.gz GBGGHUKDOVTPEX-GOSISDBHSA-N 0 0 510.454 3.557 50 0 KHAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000015944177 553543808 /nfs/dbraw/zinc/54/38/08/553543808.db2.gz RPOAAUBMSMRYQI-QNGWXLTQSA-N 0 0 521.614 3.605 50 0 KHAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000015944179 553543794 /nfs/dbraw/zinc/54/37/94/553543794.db2.gz RPOAAUBMSMRYQI-DIPNUNPCSA-N 0 0 521.614 3.605 50 0 KHAARN Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000015953660 553545751 /nfs/dbraw/zinc/54/57/51/553545751.db2.gz WNLJWDYTDGOAOX-OFVILXPXSA-N 0 0 536.673 3.813 50 0 biogenic KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000015953890 553545705 /nfs/dbraw/zinc/54/57/05/553545705.db2.gz OBRSQMGKGLVSLE-QUMGSSFMSA-N 0 0 508.486 3.542 50 0 biogenic KHAARN CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000015955205 553546160 /nfs/dbraw/zinc/54/61/60/553546160.db2.gz AFBOUAQQIDOSKK-MNNSJKJDSA-N 0 0 512.647 3.955 50 0 biogenic KHAARN CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000015955206 553546179 /nfs/dbraw/zinc/54/61/79/553546179.db2.gz AFBOUAQQIDOSKK-KPURRNSFSA-N 0 0 512.647 3.955 50 0 biogenic KHAARN CCCc1cc(=O)oc2cc(OCC(=O)NCCCCCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000015955207 553546169 /nfs/dbraw/zinc/54/61/69/553546169.db2.gz AFBOUAQQIDOSKK-PZGXJGMVSA-N 0 0 512.647 3.955 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)[C@H](C(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O)C(=O)NC1CCCC1 ZINC000015959141 553546572 /nfs/dbraw/zinc/54/65/72/553546572.db2.gz MFKUMQGHYRCYBM-JYUFKMNQSA-N 0 0 535.689 3.818 50 0 biogenic KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C(C)C)CC2)cc1 ZINC000015974702 553547770 /nfs/dbraw/zinc/54/77/70/553547770.db2.gz GEMOGDZIIHUKHF-BKMJKUGQSA-N 0 0 513.704 3.674 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C(C)C)CC2)cc1 ZINC000015974703 553547831 /nfs/dbraw/zinc/54/78/31/553547831.db2.gz GEMOGDZIIHUKHF-ATIYNZHBSA-N 0 0 513.704 3.674 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 ZINC000015974975 553547799 /nfs/dbraw/zinc/54/77/99/553547799.db2.gz IQOODTVWXCQWFF-QGZVFWFLSA-N 0 0 522.465 3.610 50 0 KHAARN CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)Nc1cc(C)ccc1C ZINC000015975044 553547772 /nfs/dbraw/zinc/54/77/72/553547772.db2.gz IPQMATZTESESIP-HSZRJFAPSA-N 0 0 517.717 3.889 50 0 KHAARN COc1ccc(C(=O)Nc2ccc[n+](-c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000015978918 553548145 /nfs/dbraw/zinc/54/81/45/553548145.db2.gz IGIVLGKQXTZJCS-UHFFFAOYSA-O 0 0 512.571 3.968 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000015979599 553548317 /nfs/dbraw/zinc/54/83/17/553548317.db2.gz ODMOZNUMVYNKBU-UHFFFAOYSA-N 0 0 506.511 3.685 50 0 KHAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000015979913 553548331 /nfs/dbraw/zinc/54/83/31/553548331.db2.gz OROIQCGEJYFOAH-QGZVFWFLSA-N 0 0 518.611 3.672 50 0 KHAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000015979915 553548300 /nfs/dbraw/zinc/54/83/00/553548300.db2.gz OROIQCGEJYFOAH-KRWDZBQOSA-N 0 0 518.611 3.672 50 0 KHAARN CSCC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000015980161 553548546 /nfs/dbraw/zinc/54/85/46/553548546.db2.gz TVZRXCAECWDLSF-FQEVSTJZSA-N 0 0 507.534 3.898 50 0 KHAARN CSCC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000015980163 553548566 /nfs/dbraw/zinc/54/85/66/553548566.db2.gz TVZRXCAECWDLSF-HXUWFJFHSA-N 0 0 507.534 3.898 50 0 KHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)/C(=C/c2ccccc2OC)c2ccccc2)c1 ZINC000015980434 553548509 /nfs/dbraw/zinc/54/85/09/553548509.db2.gz VLVQELVAFOLFNN-PXLXIMEGSA-N 0 0 503.507 3.991 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000015982267 553548990 /nfs/dbraw/zinc/54/89/90/553548990.db2.gz HMLRYUOVVXMMIF-UHFFFAOYSA-N 0 0 506.665 3.667 50 0 KHAARN CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C(C)C)cc1 ZINC000015987125 553549253 /nfs/dbraw/zinc/54/92/53/553549253.db2.gz AMQAAAWKNXTYMV-XMMPIXPASA-N 0 0 501.649 3.574 50 0 KHAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015999273 553549719 /nfs/dbraw/zinc/54/97/19/553549719.db2.gz MYUKAGCSYARXIH-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000454 553549730 /nfs/dbraw/zinc/54/97/30/553549730.db2.gz PESJDMASHKWDJY-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016000516 553549909 /nfs/dbraw/zinc/54/99/09/553549909.db2.gz DCFWAMGZLJAOTM-YAOOYPAMSA-N 0 0 523.545 3.775 50 0 KHAARN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000568 553549917 /nfs/dbraw/zinc/54/99/17/553549917.db2.gz URJKLHVZISVBLJ-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016000752 553549892 /nfs/dbraw/zinc/54/98/92/553549892.db2.gz KVJDWPTYZIFSHS-YAOOYPAMSA-N 0 0 509.562 3.854 50 0 KHAARN CCCCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@]12c1cc(Br)ccc1NC2=O ZINC000016007253 553550260 /nfs/dbraw/zinc/55/02/60/553550260.db2.gz SJOSPUGHBDVESX-XMMPIXPASA-N 0 0 511.328 3.700 50 0 KHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009646 553550472 /nfs/dbraw/zinc/55/04/72/553550472.db2.gz RHKZUKPWZIVZCX-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016009855 553550505 /nfs/dbraw/zinc/55/05/05/553550505.db2.gz XVLANHLWJJOTKO-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010237 553550723 /nfs/dbraw/zinc/55/07/23/553550723.db2.gz NSYREERHQFLSAZ-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016012219 553550679 /nfs/dbraw/zinc/55/06/79/553550679.db2.gz WFKCPILDLXPBBI-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN CSCC[C@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000016025812 553551414 /nfs/dbraw/zinc/55/14/14/553551414.db2.gz VVZPZNFNYYKYFX-BFLUCZKCSA-N 0 0 516.667 3.935 50 0 KHAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000016026068 553551390 /nfs/dbraw/zinc/55/13/90/553551390.db2.gz UXHFXBHPLBSSST-ZRRKCSAHSA-N 0 0 506.606 3.892 50 0 KHAARN COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000016033095 553551578 /nfs/dbraw/zinc/55/15/78/553551578.db2.gz IMDLEIHGAJGDEZ-WEMJSJANSA-N 0 0 522.605 3.510 50 0 biogenic KHAARN CCCCOc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016033461 553551698 /nfs/dbraw/zinc/55/16/98/553551698.db2.gz DQDNEYBSZKCUGK-HXUWFJFHSA-N 0 0 501.649 3.718 50 0 KHAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000016035198 553551986 /nfs/dbraw/zinc/55/19/86/553551986.db2.gz XFBFYWUGKLXKAT-YAOOYPAMSA-N 0 0 508.530 3.865 50 0 KHAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3nc2-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 ZINC000016035388 553552019 /nfs/dbraw/zinc/55/20/19/553552019.db2.gz ZWNRVRXWIWFGHA-UHFFFAOYSA-N 0 0 506.994 3.834 50 0 KHAARN CCOc1ccc(-n2c(COc3ccc(Br)cc3)nnc2SCC(=O)NCCOC)cc1 ZINC000016035426 553552016 /nfs/dbraw/zinc/55/20/16/553552016.db2.gz MGMFMUZMNOGEEF-UHFFFAOYSA-N 0 0 521.437 3.862 50 0 KHAARN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000016035638 553552186 /nfs/dbraw/zinc/55/21/86/553552186.db2.gz FPBFNCHVAKILLH-UHFFFAOYSA-N 0 0 531.627 3.812 50 0 KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12)c1ccc(Cl)cc1 ZINC000016038168 553552570 /nfs/dbraw/zinc/55/25/70/553552570.db2.gz QQHXORBSITXSRH-LIONHTAISA-N 0 0 513.937 3.873 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)cc1OC ZINC000016039157 553552732 /nfs/dbraw/zinc/55/27/32/553552732.db2.gz XDQKYJCGUJYQAH-DNVJHFABSA-N 0 0 520.582 3.998 50 0 KHAARN O=C(CNC(=O)c1ccccc1)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000016040883 1066490718 /nfs/dbraw/zinc/49/07/18/1066490718.db2.gz MTKQPVGPUXWWHD-SANMLTNESA-N 0 0 531.609 3.741 50 0 KHAARN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)cc1 ZINC000016041916 553552891 /nfs/dbraw/zinc/55/28/91/553552891.db2.gz WPBKCNXHRWUXTE-CTNGQTDRSA-N 0 0 507.612 3.697 50 0 KHAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000016043506 553553085 /nfs/dbraw/zinc/55/30/85/553553085.db2.gz RCJSIWUGWWCPHT-FQRUVTKNSA-N 0 0 504.930 3.841 50 0 KHAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000016043507 553553120 /nfs/dbraw/zinc/55/31/20/553553120.db2.gz RCJSIWUGWWCPHT-IBVKSMDESA-N 0 0 504.930 3.841 50 0 KHAARN O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000016043508 553553099 /nfs/dbraw/zinc/55/30/99/553553099.db2.gz RCJSIWUGWWCPHT-RXFWQSSRSA-N 0 0 504.930 3.841 50 0 KHAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000016043509 553553125 /nfs/dbraw/zinc/55/31/25/553553125.db2.gz RCJSIWUGWWCPHT-FNZWTVRRSA-N 0 0 504.930 3.841 50 0 KHAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc2c(c1)CCC2 ZINC000016043677 553553257 /nfs/dbraw/zinc/55/32/57/553553257.db2.gz PMBFKRPOSMYWKN-UHFFFAOYSA-N 0 0 510.534 3.777 50 0 KHAARN COc1ccc2c(CC(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)coc2c1 ZINC000016043685 553553279 /nfs/dbraw/zinc/55/32/79/553553279.db2.gz LEYOKMABKOLMGH-UHFFFAOYSA-N 0 0 500.573 3.731 50 0 KHAARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1OC ZINC000016043733 553553441 /nfs/dbraw/zinc/55/34/41/553553441.db2.gz NNLFNYZMOAQVNR-UHFFFAOYSA-N 0 0 526.973 3.890 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(Cl)s2)C(C)C)c1 ZINC000016043763 553553394 /nfs/dbraw/zinc/55/33/94/553553394.db2.gz IHAXNUYUOCWZQI-FQEVSTJZSA-N 0 0 515.053 3.613 50 0 KHAARN COc1ccc(/C=C/C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000016043952 553553424 /nfs/dbraw/zinc/55/34/24/553553424.db2.gz HZUFNQYNABJFLH-ITMPFJHPSA-N 0 0 524.683 3.971 50 0 KHAARN COc1ccc(/C=C/C(=O)N[C@H](CCSC)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000016043953 553553420 /nfs/dbraw/zinc/55/34/20/553553420.db2.gz HZUFNQYNABJFLH-UWURSXPMSA-N 0 0 524.683 3.971 50 0 KHAARN O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccc(Br)s1 ZINC000016044051 553553634 /nfs/dbraw/zinc/55/36/34/553553634.db2.gz AOHYZNJYCYYEJA-UHFFFAOYSA-N 0 0 501.207 3.912 50 0 KHAARN COc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000016044068 553553610 /nfs/dbraw/zinc/55/36/10/553553610.db2.gz ZKJUVCBGGGNBLI-UHFFFAOYSA-N 0 0 515.916 3.781 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2cc(C)c(C)cc2C)C(C)C)c1 ZINC000016044075 553553586 /nfs/dbraw/zinc/55/35/86/553553586.db2.gz RINCZJCQZTZABV-VWLOTQADSA-N 0 0 516.660 3.823 50 0 KHAARN CN(c1cccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000016044153 553553618 /nfs/dbraw/zinc/55/36/18/553553618.db2.gz LFTLSZDQVCIQGB-UHFFFAOYSA-N 0 0 508.021 3.570 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C(C)C)c1 ZINC000016044340 553553717 /nfs/dbraw/zinc/55/37/17/553553717.db2.gz BUWDUCYJMNGLIB-ULCRDSCMSA-N 0 0 503.709 3.804 50 0 KHAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)NC(=O)N[C@@H]1C ZINC000016044346 553553702 /nfs/dbraw/zinc/55/37/02/553553702.db2.gz MDZNJVBXQUOSPV-CYBMUJFWSA-N 0 0 516.526 3.598 50 0 KHAARN CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)NC(=O)N[C@H]1C ZINC000016044347 553553726 /nfs/dbraw/zinc/55/37/26/553553726.db2.gz MDZNJVBXQUOSPV-ZDUSSCGKSA-N 0 0 516.526 3.598 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1C ZINC000016044366 553553987 /nfs/dbraw/zinc/55/39/87/553553987.db2.gz RENVVAHBNYDUER-UHFFFAOYSA-N 0 0 514.522 3.785 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(-c3cccc(C)c3)n2CCOC)NC(=O)N[C@@H]1c1ccccc1 ZINC000016044388 553553963 /nfs/dbraw/zinc/55/39/63/553553963.db2.gz SYYAOJUUPUOVHX-JOCHJYFZSA-N 0 0 507.616 3.863 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(-c3cccc(C)c3)n2CCOC)NC(=O)N[C@H]1c1ccccc1 ZINC000016044389 553553918 /nfs/dbraw/zinc/55/39/18/553553918.db2.gz SYYAOJUUPUOVHX-QFIPXVFZSA-N 0 0 507.616 3.863 50 0 KHAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000016044486 553554100 /nfs/dbraw/zinc/55/41/00/553554100.db2.gz USCUTMIVIGFCEW-UXHICEINSA-N 0 0 513.685 3.909 50 0 KHAARN COc1cc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000016044527 553554024 /nfs/dbraw/zinc/55/40/24/553554024.db2.gz VBPUGHPKQLYUTC-RVDMUPIBSA-N 0 0 520.607 3.769 50 0 KHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000016044559 553554071 /nfs/dbraw/zinc/55/40/71/553554071.db2.gz QAJHXNGUCGCHOU-QPPBQGQZSA-N 0 0 513.594 3.751 50 0 KHAARN C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000016044560 553554059 /nfs/dbraw/zinc/55/40/59/553554059.db2.gz QAJHXNGUCGCHOU-URXFXBBRSA-N 0 0 513.594 3.751 50 0 KHAARN C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000016044561 553554039 /nfs/dbraw/zinc/55/40/39/553554039.db2.gz QAJHXNGUCGCHOU-ZJSXRUAMSA-N 0 0 513.594 3.751 50 0 KHAARN C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000016044562 553554028 /nfs/dbraw/zinc/55/40/28/553554028.db2.gz QAJHXNGUCGCHOU-XUZZJYLKSA-N 0 0 513.594 3.751 50 0 KHAARN CCOC(=O)C1=C(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@@H]1c1cccs1 ZINC000016044581 553554074 /nfs/dbraw/zinc/55/40/74/553554074.db2.gz JDDLWJZJIJJUGD-XMMPIXPASA-N 0 0 525.583 3.889 50 0 KHAARN CCOC(=O)C1=C(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)NC(=O)N[C@H]1c1cccs1 ZINC000016044582 553554001 /nfs/dbraw/zinc/55/40/01/553554001.db2.gz JDDLWJZJIJJUGD-DEOSSOPVSA-N 0 0 525.583 3.889 50 0 KHAARN O=C(CN1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000016044813 553554306 /nfs/dbraw/zinc/55/43/06/553554306.db2.gz CPSRHEKKLUHWEN-UHFFFAOYSA-N 0 0 514.957 3.718 50 0 KHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000016044889 553554446 /nfs/dbraw/zinc/55/44/46/553554446.db2.gz JFWWRFYZWUEXJD-UHFFFAOYSA-N 0 0 507.052 3.568 50 0 KHAARN Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C ZINC000016044907 553554426 /nfs/dbraw/zinc/55/44/26/553554426.db2.gz LTDRHBSQOLQSCY-UHFFFAOYSA-N 0 0 515.657 3.662 50 0 KHAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000016045121 553554382 /nfs/dbraw/zinc/55/43/82/553554382.db2.gz OJUYCRYMLYYPBK-UHFFFAOYSA-N 0 0 506.580 3.806 50 0 KHAARN CCOc1ccc(OCC(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 ZINC000016047846 553554601 /nfs/dbraw/zinc/55/46/01/553554601.db2.gz MVAHUMDHFQGOAF-UHFFFAOYSA-N 0 0 503.558 3.515 50 0 KHAARN C[C@@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016050310 553554808 /nfs/dbraw/zinc/55/48/08/553554808.db2.gz BFNGRBANOQVEPO-LJQANCHMSA-N 0 0 510.568 3.684 50 0 KHAARN C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016050311 553554772 /nfs/dbraw/zinc/55/47/72/553554772.db2.gz BFNGRBANOQVEPO-IBGZPJMESA-N 0 0 510.568 3.684 50 0 KHAARN C[C@@H]1CCc2sc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2C1 ZINC000016050343 553555041 /nfs/dbraw/zinc/55/50/41/553555041.db2.gz YLWMDOSTKKCZFY-GOSISDBHSA-N 0 0 512.653 3.716 50 0 KHAARN C[C@H]1CCc2sc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2C1 ZINC000016050344 553555053 /nfs/dbraw/zinc/55/50/53/553555053.db2.gz YLWMDOSTKKCZFY-SFHVURJKSA-N 0 0 512.653 3.716 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)ccc2Cl)C[C@@H](C)O1 ZINC000016050354 553555039 /nfs/dbraw/zinc/55/50/39/553555039.db2.gz PRKYGRMNRDLBIX-ZIAGYGMSSA-N 0 0 517.934 3.779 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)ccc2Cl)C[C@H](C)O1 ZINC000016050356 553555032 /nfs/dbraw/zinc/55/50/32/553555032.db2.gz PRKYGRMNRDLBIX-OKILXGFUSA-N 0 0 517.934 3.779 50 0 KHAARN C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)ccc2Cl)C[C@H](C)O1 ZINC000016050357 553554989 /nfs/dbraw/zinc/55/49/89/553554989.db2.gz PRKYGRMNRDLBIX-KBPBESRZSA-N 0 0 517.934 3.779 50 0 KHAARN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000016052811 553555129 /nfs/dbraw/zinc/55/51/29/553555129.db2.gz FPYJSJDOHRDAMT-KQWNVCNZSA-N 0 0 568.099 3.990 50 0 in-vitro KHAARN O=S(=O)(CCN1CCCCC1)c1ccc(Oc2ccc(S(=O)(=O)CCN3CCCCC3)cc2)cc1 ZINC000016134026 553555358 /nfs/dbraw/zinc/55/53/58/553555358.db2.gz DNJPSFXOXRYKPR-UHFFFAOYSA-N 0 0 520.717 3.998 50 0 KHAARN CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016161629 553555724 /nfs/dbraw/zinc/55/57/24/553555724.db2.gz ULYYOOQKMSYVRF-UHFFFAOYSA-N 0 0 521.639 3.864 50 0 KHAARN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000016162406 553555671 /nfs/dbraw/zinc/55/56/71/553555671.db2.gz TUKOAXLKKMEBNH-UHFFFAOYSA-N 0 0 527.668 3.868 50 0 KHAARN CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000016162409 553555752 /nfs/dbraw/zinc/55/57/52/553555752.db2.gz KLSRORDNBOQCLG-UHFFFAOYSA-N 0 0 507.612 3.555 50 0 KHAARN CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1 ZINC000016162411 553555949 /nfs/dbraw/zinc/55/59/49/553555949.db2.gz WETAHVWDMOVORT-UHFFFAOYSA-N 0 0 509.628 3.768 50 0 KHAARN COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000016184152 553555978 /nfs/dbraw/zinc/55/59/78/553555978.db2.gz GWDDDZSYFLXMMT-UHFFFAOYSA-N 0 0 507.572 3.890 50 0 KHAARN COc1cc(C(=O)NC[C@@H]2CCC[C@@H](CNC(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000016195224 553556456 /nfs/dbraw/zinc/55/64/56/553556456.db2.gz OJJQLWXLIAUSDY-QZTJIDSGSA-N 0 0 530.618 3.704 50 0 KHAARN COc1cc(C(=O)NC[C@H]2CCC[C@H](CNC(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000016195230 553556387 /nfs/dbraw/zinc/55/63/87/553556387.db2.gz OJJQLWXLIAUSDY-ROUUACIJSA-N 0 0 530.618 3.704 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016213875 553556635 /nfs/dbraw/zinc/55/66/35/553556635.db2.gz FMUXBIBXBGSMPH-UHFFFAOYSA-N 0 0 500.020 3.893 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016215303 553556876 /nfs/dbraw/zinc/55/68/76/553556876.db2.gz SJMIIMAPUWXZOJ-UHFFFAOYSA-N 0 0 516.572 3.564 50 0 KHAARN COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(NC(=O)COc3ccc(OC)cc3)c2)cc1 ZINC000016217215 553557010 /nfs/dbraw/zinc/55/70/10/553557010.db2.gz OEZSJFMJRMCFDE-UHFFFAOYSA-N 0 0 521.570 3.575 50 0 KHAARN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000016226954 553557394 /nfs/dbraw/zinc/55/73/94/553557394.db2.gz CTPVEQZHWLJCCT-UHFFFAOYSA-N 0 0 500.020 3.893 50 0 KHAARN COc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000016227273 553557388 /nfs/dbraw/zinc/55/73/88/553557388.db2.gz CGOPAQHZDPCHLF-PSWAGMNNSA-N 0 0 504.630 3.569 50 0 KHAARN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC ZINC000016227489 553557493 /nfs/dbraw/zinc/55/74/93/553557493.db2.gz QFHGHKPCNHFZOC-UHFFFAOYSA-N 0 0 507.461 3.826 50 0 KHAARN COC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000016227535 553557533 /nfs/dbraw/zinc/55/75/33/553557533.db2.gz ALDKNYBZMAQIEI-UHFFFAOYSA-N 0 0 518.975 3.978 50 0 KHAARN COc1cccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016228060 553557499 /nfs/dbraw/zinc/55/74/99/553557499.db2.gz WGKBWRIAGOVYBY-UHFFFAOYSA-N 0 0 516.572 3.564 50 0 KHAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000016228110 553557482 /nfs/dbraw/zinc/55/74/82/553557482.db2.gz GXCZTYMEHWBTDD-UHFFFAOYSA-N 0 0 503.555 3.705 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000016248048 553557683 /nfs/dbraw/zinc/55/76/83/553557683.db2.gz MEQMTDMRAPOZGE-UHFFFAOYSA-N 0 0 506.839 3.770 50 0 KHAARN CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2)CC1 ZINC000016248522 553557694 /nfs/dbraw/zinc/55/76/94/553557694.db2.gz JEALNBSSIAJPKG-UHFFFAOYSA-N 0 0 503.580 3.794 50 0 KHAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1 ZINC000016248536 553557711 /nfs/dbraw/zinc/55/77/11/553557711.db2.gz ZORYTAMLKBCMQG-UHFFFAOYSA-N 0 0 503.580 3.794 50 0 KHAARN Cc1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C ZINC000016249154 553557707 /nfs/dbraw/zinc/55/77/07/553557707.db2.gz MYSUGKRBQGNFDJ-UHFFFAOYSA-N 0 0 516.929 3.561 50 0 KHAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O ZINC000016249969 553557807 /nfs/dbraw/zinc/55/78/07/553557807.db2.gz BZZVEWUTAJCQJA-UHFFFAOYSA-N 0 0 514.069 3.618 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(C)(=O)=O)cc1Cl ZINC000016276341 553558264 /nfs/dbraw/zinc/55/82/64/553558264.db2.gz WHYHELZKDZHUOF-UHFFFAOYSA-N 0 0 508.765 3.666 50 0 KHAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)c(C(=O)OCC)c1C ZINC000016285697 553558823 /nfs/dbraw/zinc/55/88/23/553558823.db2.gz LVCUBAHXOZGSPP-UHFFFAOYSA-N 0 0 503.606 3.814 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000016285725 553558838 /nfs/dbraw/zinc/55/88/38/553558838.db2.gz QBXZUXRAUIVAKE-UHFFFAOYSA-N 0 0 506.068 3.987 50 0 KHAARN O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000016285743 553558812 /nfs/dbraw/zinc/55/88/12/553558812.db2.gz KERZJGLHQKJXDY-UHFFFAOYSA-N 0 0 514.047 3.589 50 0 KHAARN COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016291271 553558855 /nfs/dbraw/zinc/55/88/55/553558855.db2.gz XEDKHIGQFMWDTA-UHFFFAOYSA-N 0 0 507.656 3.558 50 0 KHAARN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)S(C)(=O)=O)cc1 ZINC000016292255 553558989 /nfs/dbraw/zinc/55/89/89/553558989.db2.gz HEVZFSIITPLQHH-UHFFFAOYSA-N 0 0 527.668 3.998 50 0 KHAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016292583 553559032 /nfs/dbraw/zinc/55/90/32/553559032.db2.gz SPQSOIZSVNXWIC-UHFFFAOYSA-N 0 0 507.612 3.610 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016293426 553559394 /nfs/dbraw/zinc/55/93/94/553559394.db2.gz MPFDYRZDORKXKD-UHFFFAOYSA-N 0 0 509.024 3.736 50 0 KHAARN COc1ccc(-c2c(=O)n(OCc3ccc(I)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000016293746 553559437 /nfs/dbraw/zinc/55/94/37/553559437.db2.gz WPXXJWWAXVYGBU-UHFFFAOYSA-N 0 0 500.292 3.544 50 0 KHAARN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)cc1OC ZINC000016294337 553559636 /nfs/dbraw/zinc/55/96/36/553559636.db2.gz LUDPBZLGLHLJLB-UHFFFAOYSA-N 0 0 519.019 3.573 50 0 KHAARN COC(=O)[C@@H]1NC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000016294378 553559626 /nfs/dbraw/zinc/55/96/26/553559626.db2.gz FDVAJUIZJBFVQA-XPWALMASSA-N 0 0 510.924 3.808 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cccc(C)c2C)cc1 ZINC000016309934 553559638 /nfs/dbraw/zinc/55/96/38/553559638.db2.gz ARWNVXFGZIJKMW-UHFFFAOYSA-N 0 0 521.639 3.918 50 0 KHAARN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1C ZINC000016312543 553559957 /nfs/dbraw/zinc/55/99/57/553559957.db2.gz SVQQYYZLQGWTGH-UHFFFAOYSA-N 0 0 505.593 3.648 50 0 KHAARN CCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000016319469 553560012 /nfs/dbraw/zinc/56/00/12/553560012.db2.gz VGCLFWIMBUVDLO-UHFFFAOYSA-N 0 0 523.655 3.946 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1 ZINC000016319497 553559945 /nfs/dbraw/zinc/55/99/45/553559945.db2.gz YVLYYRIESBDPHH-UHFFFAOYSA-N 0 0 514.047 3.855 50 0 KHAARN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000016345419 553560427 /nfs/dbraw/zinc/56/04/27/553560427.db2.gz UZSKXZJPFGLFMA-UHFFFAOYSA-N 0 0 506.024 3.676 50 0 KHAARN CCOC(=O)c1sc(NC(=S)Nc2ccc(N3CCOCC3)c3nonc32)c(C(=O)OCC)c1C ZINC000016345762 553560389 /nfs/dbraw/zinc/56/03/89/553560389.db2.gz ZHHDIEZYRNSAMA-UHFFFAOYSA-N 0 0 519.605 3.592 50 0 KHAARN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000016345982 553560513 /nfs/dbraw/zinc/56/05/13/553560513.db2.gz UKPOVVKIIRILLA-UHFFFAOYSA-N 0 0 518.010 3.685 50 0 KHAARN Cc1cc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(C)(=O)=O)ccc1Br ZINC000016347186 553560623 /nfs/dbraw/zinc/56/06/23/553560623.db2.gz PBIYSASLBNVKFB-UHFFFAOYSA-N 0 0 514.873 3.834 50 0 KHAARN Cc1cccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000016349957 553560986 /nfs/dbraw/zinc/56/09/86/553560986.db2.gz LTUCWJPUTDPQIL-UHFFFAOYSA-N 0 0 521.639 3.572 50 0 KHAARN COC(=O)c1sc(NC(=S)N2CCN(Cc3ccc(F)cc3Cl)CC2)c(C(=O)OC)c1C ZINC000016361015 553561005 /nfs/dbraw/zinc/56/10/05/553561005.db2.gz SZLDGENNFOSXEN-UHFFFAOYSA-N 0 0 500.017 3.937 50 0 KHAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C(=O)OC)c1C ZINC000016361025 553560997 /nfs/dbraw/zinc/56/09/97/553560997.db2.gz KMLVMHRNKMBMTH-UHFFFAOYSA-N 0 0 518.661 3.606 50 0 KHAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2cc(OC)c(OC)cc2C(=O)OC)c(C(=O)OC)c1C ZINC000016361069 553560966 /nfs/dbraw/zinc/56/09/66/553560966.db2.gz BCZXKVKNTKESOM-UHFFFAOYSA-N 0 0 523.633 3.938 50 0 KHAARN CCOC(=O)c1sc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(=O)OCC)c1C ZINC000016361118 553560952 /nfs/dbraw/zinc/56/09/52/553560952.db2.gz UIVINHALXGSXOB-UHFFFAOYSA-N 0 0 519.645 3.653 50 0 KHAARN CCOC(=O)c1sc(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)c(C(=O)OCC)c1C ZINC000016361143 553560941 /nfs/dbraw/zinc/56/09/41/553560941.db2.gz DGDKAYBFHJGANO-UHFFFAOYSA-N 0 0 505.618 3.691 50 0 KHAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCCO ZINC000016361294 553560969 /nfs/dbraw/zinc/56/09/69/553560969.db2.gz KDPZTVKVVOTJOE-IBGZPJMESA-N 0 0 510.772 3.749 50 0 KHAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCCO ZINC000016361296 553560932 /nfs/dbraw/zinc/56/09/32/553560932.db2.gz KDPZTVKVVOTJOE-LJQANCHMSA-N 0 0 510.772 3.749 50 0 KHAARN CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000016361699 553561207 /nfs/dbraw/zinc/56/12/07/553561207.db2.gz NDMFZCZMYSIAGX-NRFANRHFSA-N 0 0 504.992 3.784 50 0 KHAARN CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000016361701 553561240 /nfs/dbraw/zinc/56/12/40/553561240.db2.gz NDMFZCZMYSIAGX-OAQYLSRUSA-N 0 0 504.992 3.784 50 0 KHAARN CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1O ZINC000016361814 553561246 /nfs/dbraw/zinc/56/12/46/553561246.db2.gz WVNIHAYQBKJWJS-SFHVURJKSA-N 0 0 520.405 3.772 50 0 KHAARN CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1O ZINC000016361816 553561192 /nfs/dbraw/zinc/56/11/92/553561192.db2.gz WVNIHAYQBKJWJS-GOSISDBHSA-N 0 0 520.405 3.772 50 0 KHAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000016361994 553561178 /nfs/dbraw/zinc/56/11/78/553561178.db2.gz UIURLOQJBDRFDW-UHFFFAOYSA-N 0 0 508.669 3.643 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016362941 553561385 /nfs/dbraw/zinc/56/13/85/553561385.db2.gz FDMAWQKMDZTABI-UHFFFAOYSA-N 0 0 500.573 3.863 50 0 KHAARN COC(=O)c1ccc(CNC(=O)CSc2nnc(COc3ccc(OC)cc3)n2-c2ccccc2)o1 ZINC000016381541 553561570 /nfs/dbraw/zinc/56/15/70/553561570.db2.gz HAPCEBLXARSBNY-UHFFFAOYSA-N 0 0 508.556 3.643 50 0 KHAARN CCOC(=O)COc1ccc(Br)cc1[C@@H]1NC(=O)NC(c2ccccc2)=C1C(=O)OCC ZINC000016382537 553561548 /nfs/dbraw/zinc/56/15/48/553561548.db2.gz VAARQPUTPNSGPZ-NRFANRHFSA-N 0 0 503.349 3.719 50 0 KHAARN CCOC(=O)COc1ccc(Br)cc1[C@H]1NC(=O)NC(c2ccccc2)=C1C(=O)OCC ZINC000016382540 553561540 /nfs/dbraw/zinc/56/15/40/553561540.db2.gz VAARQPUTPNSGPZ-OAQYLSRUSA-N 0 0 503.349 3.719 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)Cc2ccccc2)cc1C ZINC000016383188 553561769 /nfs/dbraw/zinc/56/17/69/553561769.db2.gz FFIAULYMPDTODK-UHFFFAOYSA-N 0 0 512.628 3.571 50 0 KHAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc32)cc1 ZINC000016392591 553562304 /nfs/dbraw/zinc/56/23/04/553562304.db2.gz GYXQIMSAXIAMCW-UHFFFAOYSA-N 0 0 511.401 3.679 50 0 KHAARN O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000016392649 553562295 /nfs/dbraw/zinc/56/22/95/553562295.db2.gz FYRUFAZCQCCKQA-UHFFFAOYSA-N 0 0 501.564 3.777 50 0 KHAARN CCOc1c(OC)cccc1C1C(C(=O)OC)=CN(CCc2ccc(OC)c(OC)c2)C=C1C(=O)OC ZINC000016392944 553562272 /nfs/dbraw/zinc/56/22/72/553562272.db2.gz UITFYYUEHLMBFF-UHFFFAOYSA-N 0 0 511.571 3.867 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)Cc2ccccc2)cc1C 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/nfs/dbraw/zinc/57/00/26/553570026.db2.gz XIOMCXAEBUDUGD-HSZRJFAPSA-N 0 0 526.637 3.854 50 0 KHAARN Cc1cccc(C)c1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)N1CCCCC1)CN2c1ccccc1 ZINC000016613062 553570038 /nfs/dbraw/zinc/57/00/38/553570038.db2.gz WYUSPTFNGPWVAW-UHFFFAOYSA-N 0 0 503.647 3.989 50 0 KHAARN CCOc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc1 ZINC000016613063 553570050 /nfs/dbraw/zinc/57/00/50/553570050.db2.gz CAOCDUDUTMUQRU-UHFFFAOYSA-N 0 0 519.646 3.771 50 0 KHAARN CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)C1=O ZINC000016613105 553570017 /nfs/dbraw/zinc/57/00/17/553570017.db2.gz LLSBOXGCOFBJPJ-UHFFFAOYSA-N 0 0 504.418 3.754 50 0 KHAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)NC4CCCCC4)CC3)C2=O)c1 ZINC000016613111 553570009 /nfs/dbraw/zinc/57/00/09/553570009.db2.gz ZBZMGSOFKGYEQR-UHFFFAOYSA-N 0 0 519.646 3.817 50 0 KHAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)NCc4ccccc4)CC3)C2=O)c1 ZINC000016613112 553570048 /nfs/dbraw/zinc/57/00/48/553570048.db2.gz FPLVAIIBGVUMKC-UHFFFAOYSA-N 0 0 527.625 3.684 50 0 KHAARN CC[C@@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000016613133 553570039 /nfs/dbraw/zinc/57/00/39/553570039.db2.gz PDYDAYLUGCUMFY-OBDPMMFOSA-N 0 0 521.706 3.720 50 0 KHAARN CC[C@H](C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O ZINC000016613134 553570019 /nfs/dbraw/zinc/57/00/19/553570019.db2.gz PDYDAYLUGCUMFY-KBJASICCSA-N 0 0 521.706 3.720 50 0 KHAARN CCCCCC(=O)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000016652438 553571080 /nfs/dbraw/zinc/57/10/80/553571080.db2.gz BLFOKTRMHXJKPX-UHFFFAOYSA-N 0 0 513.635 3.668 50 0 KHAARN O=C(COc1ccccc1)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000016652494 553571098 /nfs/dbraw/zinc/57/10/98/553571098.db2.gz UKPICFTZNAEVDD-DEOSSOPVSA-N 0 0 506.555 3.624 50 0 KHAARN O=C(COc1ccccc1)N(CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000016652497 553571104 /nfs/dbraw/zinc/57/11/04/553571104.db2.gz UKPICFTZNAEVDD-XMMPIXPASA-N 0 0 506.555 3.624 50 0 KHAARN O=C(CN(CCCN1CCOCC1)C(=O)NCc1ccccc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000016653045 553571078 /nfs/dbraw/zinc/57/10/78/553571078.db2.gz QEEYPUQNSHSXFJ-UHFFFAOYSA-N 0 0 522.621 3.882 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)CC(C)C)cc1 ZINC000016653422 553571282 /nfs/dbraw/zinc/57/12/82/553571282.db2.gz VFWICPMWOCOXIS-UHFFFAOYSA-N 0 0 514.600 3.893 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000016682356 553572197 /nfs/dbraw/zinc/57/21/97/553572197.db2.gz NUFBWYXIJMJMIP-LWUPDDLQSA-N 0 0 520.607 3.511 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000016682357 553572243 /nfs/dbraw/zinc/57/22/43/553572243.db2.gz NUFBWYXIJMJMIP-GJFKPFFXSA-N 0 0 520.607 3.511 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000016682372 553572247 /nfs/dbraw/zinc/57/22/47/553572247.db2.gz GNSIRDLREVUSOO-LWUPDDLQSA-N 0 0 520.607 3.511 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000016682373 553572249 /nfs/dbraw/zinc/57/22/49/553572249.db2.gz GNSIRDLREVUSOO-GJFKPFFXSA-N 0 0 520.607 3.511 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC ZINC000016682388 553572352 /nfs/dbraw/zinc/57/23/52/553572352.db2.gz JVGRMTTZKXYBPU-OCEWKHMESA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC ZINC000016682389 553572354 /nfs/dbraw/zinc/57/23/54/553572354.db2.gz JVGRMTTZKXYBPU-MKWGYRPRSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1CCN(CN2c3ccccc3[C@]3(S[C@@H](C)C(=O)N3c3ccc(OC)cc3)C2=O)CC1 ZINC000016682763 553572733 /nfs/dbraw/zinc/57/27/33/553572733.db2.gz NJFZBZWEEVIHKZ-MYUZEXMDSA-N 0 0 509.628 3.596 50 0 KHAARN CCOC(=O)C1CCN(CN2c3ccccc3[C@@]3(S[C@@H](C)C(=O)N3c3ccc(OC)cc3)C2=O)CC1 ZINC000016682764 553572701 /nfs/dbraw/zinc/57/27/01/553572701.db2.gz NJFZBZWEEVIHKZ-XRHLQHRESA-N 0 0 509.628 3.596 50 0 KHAARN CCOC(=O)C1CCN(CN2c3ccccc3[C@]3(S[C@H](C)C(=O)N3c3ccc(OC)cc3)C2=O)CC1 ZINC000016682765 553572725 /nfs/dbraw/zinc/57/27/25/553572725.db2.gz NJFZBZWEEVIHKZ-CLYVBNDRSA-N 0 0 509.628 3.596 50 0 KHAARN CCOC(=O)C1CCN(CN2c3ccccc3[C@@]3(S[C@H](C)C(=O)N3c3ccc(OC)cc3)C2=O)CC1 ZINC000016682766 553572691 /nfs/dbraw/zinc/57/26/91/553572691.db2.gz NJFZBZWEEVIHKZ-DNOBIOAJSA-N 0 0 509.628 3.596 50 0 KHAARN CCOC(=O)N1CCN(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000016682943 553572688 /nfs/dbraw/zinc/57/26/88/553572688.db2.gz IUFRXEPBGFIUTD-VWLOTQADSA-N 0 0 515.035 3.659 50 0 KHAARN CCOC(=O)N1CCN(CN2c3ccccc3[C@@]3(SCC(=O)N3c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000016682944 553572745 /nfs/dbraw/zinc/57/27/45/553572745.db2.gz IUFRXEPBGFIUTD-RUZDIDTESA-N 0 0 515.035 3.659 50 0 KHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)cc2c1C ZINC000016683020 553572694 /nfs/dbraw/zinc/57/26/94/553572694.db2.gz OUBKKILKRIIGDQ-UHFFFAOYSA-N 0 0 526.615 3.899 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC ZINC000016688819 553573227 /nfs/dbraw/zinc/57/32/27/553573227.db2.gz MABXFNWLAOCHEG-LWUPDDLQSA-N 0 0 506.624 3.939 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC ZINC000016688820 553573223 /nfs/dbraw/zinc/57/32/23/553573223.db2.gz MABXFNWLAOCHEG-GJFKPFFXSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000016691446 553573460 /nfs/dbraw/zinc/57/34/60/553573460.db2.gz RBBXITPXXAHBSM-QKSFETHESA-N 0 0 506.624 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000016691448 553573470 /nfs/dbraw/zinc/57/34/70/553573470.db2.gz RBBXITPXXAHBSM-ZDQFFALBSA-N 0 0 506.624 3.984 50 0 KHAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000016692832 553573780 /nfs/dbraw/zinc/57/37/80/553573780.db2.gz TZSJBXMKYCXPFR-LWUPDDLQSA-N 0 0 506.624 3.939 50 0 KHAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000016692834 553573773 /nfs/dbraw/zinc/57/37/73/553573773.db2.gz TZSJBXMKYCXPFR-GJFKPFFXSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692903 553573758 /nfs/dbraw/zinc/57/37/58/553573758.db2.gz IZMBENLKZOWKOJ-LWUPDDLQSA-N 0 0 506.624 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692906 553573765 /nfs/dbraw/zinc/57/37/65/553573765.db2.gz IZMBENLKZOWKOJ-GJFKPFFXSA-N 0 0 506.624 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692909 553573779 /nfs/dbraw/zinc/57/37/79/553573779.db2.gz MUYIARNSOHSWPN-IGSWSUAKSA-N 0 0 510.587 3.735 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692912 553573776 /nfs/dbraw/zinc/57/37/76/553573776.db2.gz MUYIARNSOHSWPN-YMSBRDKKSA-N 0 0 510.587 3.735 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692920 553573825 /nfs/dbraw/zinc/57/38/25/553573825.db2.gz RAEYYALDGZVNAD-LWUPDDLQSA-N 0 0 522.623 3.604 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692923 553573862 /nfs/dbraw/zinc/57/38/62/553573862.db2.gz RAEYYALDGZVNAD-GJFKPFFXSA-N 0 0 522.623 3.604 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1OCC ZINC000016692949 553573921 /nfs/dbraw/zinc/57/39/21/553573921.db2.gz GFWCCIFUYAYTBR-LJJBLSSYSA-N 0 0 513.015 3.859 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccccc4Cl)c(=O)n32)cc1OCC ZINC000016692952 553573918 /nfs/dbraw/zinc/57/39/18/553573918.db2.gz GFWCCIFUYAYTBR-CVGPFBNFSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692961 553573924 /nfs/dbraw/zinc/57/39/24/553573924.db2.gz HSOTVSXZSJPABE-QKSFETHESA-N 0 0 522.623 3.604 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000016692964 553573932 /nfs/dbraw/zinc/57/39/32/553573932.db2.gz HSOTVSXZSJPABE-ZDQFFALBSA-N 0 0 522.623 3.604 50 0 KHAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016699904 553574087 /nfs/dbraw/zinc/57/40/87/553574087.db2.gz KVPVJGHDFPBLQB-OWXSRONMSA-N 0 0 506.624 3.984 50 0 KHAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016699906 553574088 /nfs/dbraw/zinc/57/40/88/553574088.db2.gz KVPVJGHDFPBLQB-ZMIGGIFCSA-N 0 0 506.624 3.984 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000016699932 553574104 /nfs/dbraw/zinc/57/41/04/553574104.db2.gz TYVMSLVNPXJMGO-LBKCIFGTSA-N 0 0 506.624 3.986 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000016699935 553574100 /nfs/dbraw/zinc/57/41/00/553574100.db2.gz TYVMSLVNPXJMGO-QXHVWWCLSA-N 0 0 506.624 3.986 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000016700295 553574431 /nfs/dbraw/zinc/57/44/31/553574431.db2.gz IGIXNSPVNWBWGQ-XSZPGNIMSA-N 0 0 522.623 3.603 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000016700297 553574441 /nfs/dbraw/zinc/57/44/41/553574441.db2.gz IGIXNSPVNWBWGQ-XXMKCSCWSA-N 0 0 522.623 3.603 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000016700383 553574429 /nfs/dbraw/zinc/57/44/29/553574429.db2.gz LESLQPRYIPPJCN-FJWZAKCXSA-N 0 0 512.653 3.903 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000016700385 553574433 /nfs/dbraw/zinc/57/44/33/553574433.db2.gz LESLQPRYIPPJCN-RQLGBQGVSA-N 0 0 512.653 3.903 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000016700502 553574403 /nfs/dbraw/zinc/57/44/03/553574403.db2.gz OPAIFRGHAAIKNS-OWXSRONMSA-N 0 0 522.623 3.604 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000016700504 553574408 /nfs/dbraw/zinc/57/44/08/553574408.db2.gz OPAIFRGHAAIKNS-ZMIGGIFCSA-N 0 0 522.623 3.604 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000016700868 553574767 /nfs/dbraw/zinc/57/47/67/553574767.db2.gz IJIYBDSRAAZGSS-LBKCIFGTSA-N 0 0 506.624 3.986 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000016700871 553574713 /nfs/dbraw/zinc/57/47/13/553574713.db2.gz IJIYBDSRAAZGSS-QXHVWWCLSA-N 0 0 506.624 3.986 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000016730175 553576331 /nfs/dbraw/zinc/57/63/31/553576331.db2.gz VYGQZBMHPQACPK-GTENMVSRSA-N 0 0 509.436 3.793 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccs1 ZINC000016730178 553576341 /nfs/dbraw/zinc/57/63/41/553576341.db2.gz VYGQZBMHPQACPK-OXRZLYTFSA-N 0 0 509.436 3.793 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000016730431 553576459 /nfs/dbraw/zinc/57/64/59/553576459.db2.gz AEHQNBBFMZVEKJ-DPWKNNTCSA-N 0 0 509.436 3.793 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)cccc3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000016730434 553576554 /nfs/dbraw/zinc/57/65/54/553576554.db2.gz AEHQNBBFMZVEKJ-XGHXRCDJSA-N 0 0 509.436 3.793 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000016730437 553576583 /nfs/dbraw/zinc/57/65/83/553576583.db2.gz MERMAXUVMQQBRY-WSDUQJHMSA-N 0 0 509.436 3.793 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000016730440 553576557 /nfs/dbraw/zinc/57/65/57/553576557.db2.gz MERMAXUVMQQBRY-DDYRAIOVSA-N 0 0 509.436 3.793 50 0 KHAARN CCCOc1ccc(-c2nc3s/c(=C4/c5cc(Br)ccc5N(CC)C4=O)c(=O)n3n2)cc1 ZINC000016731526 553577053 /nfs/dbraw/zinc/57/70/53/553577053.db2.gz WODFLJWXTMDCMI-HNENSFHCSA-N 0 0 511.401 3.654 50 0 KHAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)ccc1OCc1ccccc1 ZINC000016735597 553578866 /nfs/dbraw/zinc/57/88/66/553578866.db2.gz SGXNXZVGPADODC-IWIPYMOSSA-N 0 0 517.994 3.891 50 0 KHAARN Cc1ccc(Cl)cc1OCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000016735633 553578875 /nfs/dbraw/zinc/57/88/75/553578875.db2.gz NJRLWALGFXKGIP-UHFFFAOYSA-N 0 0 508.021 3.810 50 0 KHAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1 ZINC000016736061 553578863 /nfs/dbraw/zinc/57/88/63/553578863.db2.gz NZOOFGNPFNXGGT-KQWNVCNZSA-N 0 0 505.559 3.587 50 0 KHAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000016736728 553579077 /nfs/dbraw/zinc/57/90/77/553579077.db2.gz JOEUZZRVQKZPHE-HXUWFJFHSA-N 0 0 505.593 3.766 50 0 KHAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000016736730 553579085 /nfs/dbraw/zinc/57/90/85/553579085.db2.gz JOEUZZRVQKZPHE-FQEVSTJZSA-N 0 0 505.593 3.766 50 0 KHAARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCCO)c2)CC1 ZINC000016741689 553580025 /nfs/dbraw/zinc/58/00/25/553580025.db2.gz IVZVKFDJJJFATK-RQZHXJHFSA-N 0 0 529.684 3.795 50 0 KHAARN COc1ccc(Br)cc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O ZINC000016742278 553580211 /nfs/dbraw/zinc/58/02/11/553580211.db2.gz HCLAHCUTESSWOD-RZUATBGRSA-N 0 0 500.374 3.657 50 0 KHAARN CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)s1 ZINC000016742611 553580670 /nfs/dbraw/zinc/58/06/70/553580670.db2.gz SIOJSOBXEMSKGU-FQEVSTJZSA-N 0 0 510.959 3.864 50 0 KHAARN CCCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)s1 ZINC000016742612 553580626 /nfs/dbraw/zinc/58/06/26/553580626.db2.gz SIOJSOBXEMSKGU-HXUWFJFHSA-N 0 0 510.959 3.864 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)cc1 ZINC000016805448 553582889 /nfs/dbraw/zinc/58/28/89/553582889.db2.gz MOIWEDPKQGLUIJ-BTZCDPCDSA-N 0 0 512.653 3.665 50 0 KHAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016806193 553583235 /nfs/dbraw/zinc/58/32/35/553583235.db2.gz LSKOVUQFPQZCOW-DAYGRLMNSA-N 0 0 508.637 3.725 50 0 KHAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C)C2 ZINC000016806198 553583206 /nfs/dbraw/zinc/58/32/06/553583206.db2.gz LSKOVUQFPQZCOW-RKVPGOIHSA-N 0 0 508.637 3.725 50 0 KHAARN COC(=O)c1sc2ccccc2c1NC(=S)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016917225 553583929 /nfs/dbraw/zinc/58/39/29/553583929.db2.gz FJQVNICZZRXRAF-UHFFFAOYSA-N 0 0 503.627 3.599 50 0 KHAARN COc1cc(/C=C\C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)cc(OC)c1OC ZINC000016943302 553584062 /nfs/dbraw/zinc/58/40/62/553584062.db2.gz DWCYHSASGBVLAS-WTKPLQERSA-N 0 0 503.964 3.632 50 0 KHAARN COc1ccc(NC(=O)C2(N(C(=O)CN3C[C@H](c4ccccc4)NC3=S)C3CC3)CCCC2)c(OC)c1 ZINC000016949472 553584525 /nfs/dbraw/zinc/58/45/25/553584525.db2.gz FVHIMCWWYCJJFM-HSZRJFAPSA-N 0 0 522.671 3.878 50 0 KHAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cs2)cc1 ZINC000016953431 553584886 /nfs/dbraw/zinc/58/48/86/553584886.db2.gz KGZMIDSLTQUDAN-UHFFFAOYSA-N 0 0 502.599 3.598 50 0 KHAARN COc1cc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000016957103 553585210 /nfs/dbraw/zinc/58/52/10/553585210.db2.gz YLHKEZPGQVECFW-RWEWTDSWSA-N 0 0 517.007 3.980 50 0 KHAARN COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974710 553585822 /nfs/dbraw/zinc/58/58/22/553585822.db2.gz RGSYRGYTCGDVIZ-UHFFFAOYSA-N 0 0 500.521 3.837 50 0 KHAARN COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCN(c3ccccc3)CC2)cc1=O ZINC000016974734 553585748 /nfs/dbraw/zinc/58/57/48/553585748.db2.gz YMDHJXHREFYPGN-UHFFFAOYSA-N 0 0 500.521 3.837 50 0 KHAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc5nc(C)sc5c4)CC3)n2)cc1 ZINC000017012835 553586167 /nfs/dbraw/zinc/58/61/67/553586167.db2.gz WJUHVZXVDNIWJT-UHFFFAOYSA-N 0 0 510.645 3.966 50 0 KHAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000017013709 553586581 /nfs/dbraw/zinc/58/65/81/553586581.db2.gz UCLNISFQFWXQSN-UHFFFAOYSA-N 0 0 504.410 3.929 50 0 KHAARN COC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC ZINC000017045736 553587408 /nfs/dbraw/zinc/58/74/08/553587408.db2.gz WUOKNJNBPFFTIE-DGGNZXPXSA-N 0 0 520.534 3.681 50 0 KHAARN COC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC ZINC000017045739 553587358 /nfs/dbraw/zinc/58/73/58/553587358.db2.gz WUOKNJNBPFFTIE-SSBCBVQQSA-N 0 0 520.534 3.681 50 0 KHAARN Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)NC(C)C ZINC000017123892 553588425 /nfs/dbraw/zinc/58/84/25/553588425.db2.gz NHMHQZMMHFOYQM-UHFFFAOYSA-N 0 0 505.600 3.900 50 0 KHAARN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1O ZINC000017135923 553588677 /nfs/dbraw/zinc/58/86/77/553588677.db2.gz ZQVSFJZUFGNULH-MGSPXPDISA-N 0 0 517.632 3.958 50 0 KHAARN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1O ZINC000017135924 553588712 /nfs/dbraw/zinc/58/87/12/553588712.db2.gz ZQVSFJZUFGNULH-XPCGLTFESA-N 0 0 517.632 3.958 50 0 KHAARN COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1O ZINC000017135929 553588698 /nfs/dbraw/zinc/58/86/98/553588698.db2.gz FQTXTWOERYOFLM-XOYGFPHKSA-N 0 0 517.632 3.958 50 0 KHAARN COc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1O ZINC000017135930 553588710 /nfs/dbraw/zinc/58/87/10/553588710.db2.gz FQTXTWOERYOFLM-YJADQXIJSA-N 0 0 517.632 3.958 50 0 KHAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc32)cc1 ZINC000017147520 553589147 /nfs/dbraw/zinc/58/91/47/553589147.db2.gz KHLGGBDLHWZDJF-UHFFFAOYSA-N 0 0 505.600 3.724 50 0 KHAARN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc32)cc1 ZINC000017163253 553589559 /nfs/dbraw/zinc/58/95/59/553589559.db2.gz NBTVGPIRDYVHLK-UHFFFAOYSA-N 0 0 517.611 3.729 50 0 KHAARN COc1cccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000017166977 553589726 /nfs/dbraw/zinc/58/97/26/553589726.db2.gz YEJNASGANIHTBI-AREMUKBSSA-N 0 0 511.603 3.891 50 0 KHAARN O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc(I)cc1 ZINC000017192327 553590202 /nfs/dbraw/zinc/59/02/02/553590202.db2.gz PTVVMOZYDUBSHT-UHFFFAOYSA-N 0 0 510.382 3.583 50 0 KHAARN CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2N2C(=O)[C@H](Oc3ccccc3)[C@@H]2/C=C/c2ccccc2)O1 ZINC000017197544 553590269 /nfs/dbraw/zinc/59/02/69/553590269.db2.gz SIJCESLFPDXFCO-OSKJMOAASA-N 0 0 507.583 3.755 50 0 KHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)C1 ZINC000017244910 553591497 /nfs/dbraw/zinc/59/14/97/553591497.db2.gz FTYISXKCCRKKHE-GASCZTMLSA-N 0 0 507.659 3.619 50 0 KHAARN COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)c1 ZINC000017244943 553591555 /nfs/dbraw/zinc/59/15/55/553591555.db2.gz JDZYURBKWLPECS-IYBDPMFKSA-N 0 0 500.577 3.673 50 0 KHAARN COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)c(OC)c1 ZINC000017244951 553591531 /nfs/dbraw/zinc/59/15/31/553591531.db2.gz LATMPCVMUBNZRC-IYBDPMFKSA-N 0 0 500.577 3.673 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000017287931 553592143 /nfs/dbraw/zinc/59/21/43/553592143.db2.gz NMQSPCVBSBDWGU-UHFFFAOYSA-N 0 0 513.567 3.535 50 0 KHAARN C[C@]1(C(=O)NCCCCNC(=O)[C@]2(C)CC2(Br)Br)CC1(Br)Br ZINC000017297125 553592275 /nfs/dbraw/zinc/59/22/75/553592275.db2.gz DRYRIMWOZXYBKU-TXEJJXNPSA-N 0 0 567.942 3.791 50 0 KHAARN CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1C ZINC000017297277 553592394 /nfs/dbraw/zinc/59/23/94/553592394.db2.gz RCXFZSYBDDNLDR-BETUJISGSA-N 0 0 523.658 3.893 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cccs3)n1C)CCC2 ZINC000017297478 553592396 /nfs/dbraw/zinc/59/23/96/553592396.db2.gz GXXVJNPZZHFMMK-LBPRGKRZSA-N 0 0 519.674 3.653 50 0 KHAARN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccc(OC)cc4)n3)CC2)c1 ZINC000017307251 553593039 /nfs/dbraw/zinc/59/30/39/553593039.db2.gz GBJWFQHFNOJJHY-UHFFFAOYSA-N 0 0 527.647 3.846 50 0 KHAARN Cc1cc(NC(=O)CSc2nc3cc(C(=O)NCCCOC(C)C)ccc3c(=O)n2Cc2ccco2)no1 ZINC000017337564 553593734 /nfs/dbraw/zinc/59/37/34/553593734.db2.gz ZGLKYCFPSWXZSJ-UHFFFAOYSA-N 0 0 539.614 3.610 50 0 KHAARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1 ZINC000017337596 553593712 /nfs/dbraw/zinc/59/37/12/553593712.db2.gz LRHIYUTZZIVNLZ-UHFFFAOYSA-N 0 0 569.731 3.965 50 0 KHAARN O=c1cc(CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000017356969 553594220 /nfs/dbraw/zinc/59/42/20/553594220.db2.gz FGLSAKBCOQDFNA-UHFFFAOYSA-N 0 0 560.231 3.934 50 0 KHAARN CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000017357073 553594357 /nfs/dbraw/zinc/59/43/57/553594357.db2.gz AAKZCIHQRMMMAC-UHFFFAOYSA-N 0 0 547.435 3.894 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccc(Cl)cc2Cl)cc1OC ZINC000017357193 553594579 /nfs/dbraw/zinc/59/45/79/553594579.db2.gz ORZTWHJMDXQUBO-UHFFFAOYSA-N 0 0 534.425 3.884 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000017357198 553594611 /nfs/dbraw/zinc/59/46/11/553594611.db2.gz OWJKUFIJSXFEEG-UHFFFAOYSA-N 0 0 533.532 3.596 50 0 KHAARN CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2n1ccc(=O)[nH]c1=O ZINC000017376076 553594592 /nfs/dbraw/zinc/59/45/92/553594592.db2.gz XVGDBKLBNXKLMP-DQFDVREHSA-N 0 0 526.589 3.963 50 0 KHAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000017434190 553596256 /nfs/dbraw/zinc/59/62/56/553596256.db2.gz XASBXVVBOXOJPT-WJOKGBTCSA-N 0 0 545.684 3.865 50 0 KHAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000017434194 553596170 /nfs/dbraw/zinc/59/61/70/553596170.db2.gz XASBXVVBOXOJPT-HKBQPEDESA-N 0 0 545.684 3.865 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434225 553596189 /nfs/dbraw/zinc/59/61/89/553596189.db2.gz FUAIPSADBNBEBZ-PWUYWRBVSA-N 0 0 560.651 3.949 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434228 553596154 /nfs/dbraw/zinc/59/61/54/553596154.db2.gz FUAIPSADBNBEBZ-OUTSHDOLSA-N 0 0 560.651 3.949 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434231 553596203 /nfs/dbraw/zinc/59/62/03/553596203.db2.gz FUAIPSADBNBEBZ-FUFSCUOVSA-N 0 0 560.651 3.949 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017434235 553596164 /nfs/dbraw/zinc/59/61/64/553596164.db2.gz FUAIPSADBNBEBZ-GIGWZHCTSA-N 0 0 560.651 3.949 50 0 KHAARN COc1cc(-n2c(=O)c3ccccc3n(CC(=O)c3ccc(Br)cc3)c2=O)cc(OC)c1OC ZINC000017434261 553596211 /nfs/dbraw/zinc/59/62/11/553596211.db2.gz XDMAZEMSWLQLSW-UHFFFAOYSA-N 0 0 525.355 3.824 50 0 KHAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)cc1)NCc1ccco1 ZINC000017434307 553596578 /nfs/dbraw/zinc/59/65/78/553596578.db2.gz ZZOXXPZUTMWDHD-UHFFFAOYSA-N 0 0 544.514 3.521 50 0 KHAARN NS(=O)(=O)c1cccc(NC(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]2)c1 ZINC000017466047 553596521 /nfs/dbraw/zinc/59/65/21/553596521.db2.gz JBNNQUTWQLBPGF-UHFFFAOYSA-N 0 0 541.558 3.856 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)Nc3ccc(OC(F)F)cc3)cc2)cc1 ZINC000017466208 553596793 /nfs/dbraw/zinc/59/67/93/553596793.db2.gz NFSDYJKEOCQTKX-UHFFFAOYSA-N 0 0 577.562 3.632 50 0 KHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000017527576 553597126 /nfs/dbraw/zinc/59/71/26/553597126.db2.gz QMRQTGHCJRDBGC-MDWZMJQESA-N 0 0 579.631 3.609 50 0 KHAARN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)ccc1O ZINC000017527826 553597395 /nfs/dbraw/zinc/59/73/95/553597395.db2.gz UBCBUPVTRIWICX-UXLLHSPISA-N 0 0 519.398 3.709 50 0 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O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3cccs3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000020112599 553694566 /nfs/dbraw/zinc/69/45/66/553694566.db2.gz IXSOGNQHHMUEMT-RYTUXRKISA-N 0 0 502.596 3.681 50 0 biogenic KHAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3cccs3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000020112601 553694556 /nfs/dbraw/zinc/69/45/56/553694556.db2.gz IXSOGNQHHMUEMT-VXLXPWSCSA-N 0 0 502.596 3.681 50 0 biogenic KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020113028 553695184 /nfs/dbraw/zinc/69/51/84/553695184.db2.gz YUSNBNMADPXDGA-PGMDNKBISA-N 0 0 518.566 3.579 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115096 553696341 /nfs/dbraw/zinc/69/63/41/553696341.db2.gz YWSUETAJPHNFDX-NRFANRHFSA-N 0 0 503.024 3.596 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115098 553696366 /nfs/dbraw/zinc/69/63/66/553696366.db2.gz YWSUETAJPHNFDX-OAQYLSRUSA-N 0 0 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CCc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1 ZINC000020116943 553697630 /nfs/dbraw/zinc/69/76/30/553697630.db2.gz MRIIQHFJEZMBJL-HZPDHXFCSA-N 0 0 502.662 3.634 50 0 KHAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCC[C@@H](CO)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000020119367 1066291560 /nfs/dbraw/zinc/29/15/60/1066291560.db2.gz OGJJSCKFCBXSAS-LJQANCHMSA-N 0 0 513.038 3.691 50 0 KHAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N1CCC[C@H](CO)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000020119369 1066291234 /nfs/dbraw/zinc/29/12/34/1066291234.db2.gz OGJJSCKFCBXSAS-IBGZPJMESA-N 0 0 513.038 3.691 50 0 KHAARN CCc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000020123524 553590977 /nfs/dbraw/zinc/59/09/77/553590977.db2.gz MFTHMZMGEASRQY-UHFFFAOYSA-N 0 0 521.639 3.517 50 0 KHAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020131070 553591600 /nfs/dbraw/zinc/59/16/00/553591600.db2.gz ASEWJWNBOFVEKG-UHFFFAOYSA-N 0 0 503.458 3.658 50 0 KHAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1 ZINC000020131215 553591606 /nfs/dbraw/zinc/59/16/06/553591606.db2.gz JNDNBDKOBBPUJB-UHFFFAOYSA-N 0 0 524.643 3.659 50 0 KHAARN COC(=O)c1sccc1NC(=S)NCC1CCN(C(=S)Nc2ccsc2C(=O)OC)CC1 ZINC000020131490 553591664 /nfs/dbraw/zinc/59/16/64/553591664.db2.gz UUHDWGLTALLLRR-UHFFFAOYSA-N 0 0 512.704 3.778 50 0 KHAARN CC(C)CCn1c2nnc(CCCC(=O)N3CCN(Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000020131866 553591936 /nfs/dbraw/zinc/59/19/36/553591936.db2.gz OGRYPKCYPZSFJR-UHFFFAOYSA-N 0 0 506.676 3.819 50 0 KHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1CC(=O)NCc1ccccc1Cl)n2C ZINC000020131923 553591921 /nfs/dbraw/zinc/59/19/21/553591921.db2.gz KRKUKSHPFYSOAR-UHFFFAOYSA-N 0 0 516.985 3.931 50 0 KHAARN COc1ccc(NC(=O)Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(C)c3)c2=O)c(OC)c1 ZINC000020132005 553591991 /nfs/dbraw/zinc/59/19/91/553591991.db2.gz ROMLAEMZHIFPGN-UHFFFAOYSA-N 0 0 512.566 3.917 50 0 KHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC(F)F ZINC000020133828 553592225 /nfs/dbraw/zinc/59/22/25/553592225.db2.gz ZSTRGLXCQWGRBQ-QGZVFWFLSA-N 0 0 507.295 3.973 50 0 KHAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(Br)ccc1OC(F)F ZINC000020133831 553592620 /nfs/dbraw/zinc/59/26/20/553592620.db2.gz ZSTRGLXCQWGRBQ-KRWDZBQOSA-N 0 0 507.295 3.973 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@@H]3CCCCN3C)cc12 ZINC000020136660 1066210255 /nfs/dbraw/zinc/21/02/55/1066210255.db2.gz QIVJWFSDEOUNAF-QHCPKHFHSA-N 0 0 508.619 3.695 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@H]3CCCCN3C)cc12 ZINC000020136664 1066210375 /nfs/dbraw/zinc/21/03/75/1066210375.db2.gz QIVJWFSDEOUNAF-HSZRJFAPSA-N 0 0 508.619 3.695 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(OC)cc2)[NH2+][C@@]3(Cc2ccccc2)C(=O)[O-])cc1 ZINC000020138359 553593972 /nfs/dbraw/zinc/59/39/72/553593972.db2.gz QJCHMNAJDRCBBV-VVEDBRRQSA-N 0 0 500.551 3.610 50 0 KHAARN CC(C)Cn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c3ccccc3n(C)c2c1=O ZINC000020138786 553594250 /nfs/dbraw/zinc/59/42/50/553594250.db2.gz ZPZDDMLDDDSWAW-UHFFFAOYSA-N 0 0 500.599 3.836 50 0 KHAARN O=c1cc(Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)nc2ccc(Cl)cn12 ZINC000020138959 553594352 /nfs/dbraw/zinc/59/43/52/553594352.db2.gz ZCQDWWGNTFSLSE-UHFFFAOYSA-N 0 0 504.877 3.942 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2)c1=O ZINC000020139124 553594369 /nfs/dbraw/zinc/59/43/69/553594369.db2.gz MVTMAKBEQFWDMW-UHFFFAOYSA-N 0 0 511.003 3.532 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)c(Cl)c1 ZINC000020139131 553594388 /nfs/dbraw/zinc/59/43/88/553594388.db2.gz KYYFCEOTQMAQBZ-UHFFFAOYSA-N 0 0 511.003 3.532 50 0 KHAARN Cc1cc(C)c(Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)c(C)c1 ZINC000020151459 553595793 /nfs/dbraw/zinc/59/57/93/553595793.db2.gz APCBSOZQKUAVES-UHFFFAOYSA-N 0 0 505.596 3.633 50 0 KHAARN Cc1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2Cl)c1=O ZINC000020151583 553595763 /nfs/dbraw/zinc/59/57/63/553595763.db2.gz FRUYPNRUMAOMMO-UHFFFAOYSA-N 0 0 511.003 3.532 50 0 KHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)c1 ZINC000020151588 553595715 /nfs/dbraw/zinc/59/57/15/553595715.db2.gz WQGFJYGDHCAERP-UHFFFAOYSA-N 0 0 511.003 3.532 50 0 KHAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccccc1Cl ZINC000020151590 553595786 /nfs/dbraw/zinc/59/57/86/553595786.db2.gz BUZDUZLFASYDEF-UHFFFAOYSA-N 0 0 529.062 3.591 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)c(C)c1 ZINC000020151595 553596055 /nfs/dbraw/zinc/59/60/55/553596055.db2.gz AGVZWPXNXXXZPT-UHFFFAOYSA-N 0 0 525.030 3.840 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)cc1C ZINC000020151596 553596021 /nfs/dbraw/zinc/59/60/21/553596021.db2.gz INFYLLDLUCYWOV-UHFFFAOYSA-N 0 0 525.030 3.840 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1 ZINC000020151617 553596073 /nfs/dbraw/zinc/59/60/73/553596073.db2.gz AEDOXAFEDFBGFP-UHFFFAOYSA-N 0 0 525.030 3.574 50 0 KHAARN Cc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)c1 ZINC000020151628 553596078 /nfs/dbraw/zinc/59/60/78/553596078.db2.gz PTQSCOMGGQVGEF-UHFFFAOYSA-N 0 0 525.030 3.574 50 0 KHAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCCc1ccc(Cl)cc1 ZINC000020151632 553596059 /nfs/dbraw/zinc/59/60/59/553596059.db2.gz QDHVICDOSLLVGD-UHFFFAOYSA-N 0 0 513.978 3.649 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)Nc3ccccc3C(=O)OC)c2=O)cc1 ZINC000020151659 553595997 /nfs/dbraw/zinc/59/59/97/553595997.db2.gz YUDABKIKCXVFFU-UHFFFAOYSA-N 0 0 507.568 3.655 50 0 KHAARN CC[C@@H](SC1=N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1ccc(OC)cc1)C(=O)N1CCOCC1 ZINC000020151923 553596014 /nfs/dbraw/zinc/59/60/14/553596014.db2.gz KETMWDBHPMODMW-OFVJEAJMSA-N 0 0 525.627 3.827 50 0 KHAARN CC[C@H](SC1=N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1ccc(OC)cc1)C(=O)N1CCOCC1 ZINC000020151925 553596198 /nfs/dbraw/zinc/59/61/98/553596198.db2.gz KETMWDBHPMODMW-RTWFUWSXSA-N 0 0 525.627 3.827 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1 ZINC000020152714 553596583 /nfs/dbraw/zinc/59/65/83/553596583.db2.gz VTSNNNFUJWYFHA-UHFFFAOYSA-N 0 0 519.001 3.513 50 0 KHAARN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1OC ZINC000020152792 553596817 /nfs/dbraw/zinc/59/68/17/553596817.db2.gz QSQZABRCLLNOBL-UHFFFAOYSA-N 0 0 522.001 3.631 50 0 KHAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)c2ccc(F)cc2)c1=O)NCCSCc1ccccc1 ZINC000020152967 553597143 /nfs/dbraw/zinc/59/71/43/553597143.db2.gz KYQJQKWHMDJKKC-UHFFFAOYSA-N 0 0 519.598 3.625 50 0 KHAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000020153039 553597183 /nfs/dbraw/zinc/59/71/83/553597183.db2.gz AIYXKTOMTSFHNV-UHFFFAOYSA-N 0 0 519.001 3.724 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1 ZINC000020153161 553597431 /nfs/dbraw/zinc/59/74/31/553597431.db2.gz IBQXNPUWOUJOAP-UHFFFAOYSA-N 0 0 522.561 3.551 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(-c2ccc(C)cc2)c1=O ZINC000020153175 553597382 /nfs/dbraw/zinc/59/73/82/553597382.db2.gz MYBJYUZYLOLEMB-UHFFFAOYSA-N 0 0 509.946 3.779 50 0 KHAARN COc1ccccc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccccc2Cl)c1=O ZINC000020153215 553597733 /nfs/dbraw/zinc/59/77/33/553597733.db2.gz WNMOFVCAIXPJHW-UHFFFAOYSA-N 0 0 509.946 3.529 50 0 KHAARN COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000020153217 553597689 /nfs/dbraw/zinc/59/76/89/553597689.db2.gz OIMJFQXZKUBUBQ-UHFFFAOYSA-N 0 0 509.946 3.529 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000020153219 553597723 /nfs/dbraw/zinc/59/77/23/553597723.db2.gz TVCRFUCJCVAOAG-UHFFFAOYSA-N 0 0 523.973 3.920 50 0 KHAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCc3ccccc31)c(=O)n(Cc1ccccc1Cl)c2=O ZINC000020153236 553597757 /nfs/dbraw/zinc/59/77/57/553597757.db2.gz KACCYDXFTHISRH-UHFFFAOYSA-N 0 0 519.985 3.862 50 0 KHAARN COc1cc2c(cc1OC)n(CC(=O)NCc1ccc(C)cc1)c(=O)n(Cc1ccccc1Cl)c2=O ZINC000020153238 553597736 /nfs/dbraw/zinc/59/77/36/553597736.db2.gz GFUWRHWYUHFZBE-UHFFFAOYSA-N 0 0 507.974 3.507 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000020153269 553597715 /nfs/dbraw/zinc/59/77/15/553597715.db2.gz FEBVNKXOMIQOGN-UHFFFAOYSA-N 0 0 519.001 3.860 50 0 KHAARN O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)Nc1cccc(Cl)c1 ZINC000020153295 553597991 /nfs/dbraw/zinc/59/79/91/553597991.db2.gz SLFHWIYIDRYOEV-UHFFFAOYSA-N 0 0 518.035 3.593 50 0 KHAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)c(C)c1 ZINC000020153299 553598069 /nfs/dbraw/zinc/59/80/69/553598069.db2.gz NTPZDXGCYYHHEO-UHFFFAOYSA-N 0 0 525.671 3.865 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)c(C)c1 ZINC000020153310 553598032 /nfs/dbraw/zinc/59/80/32/553598032.db2.gz YMNLGMMWOPEYEX-UHFFFAOYSA-N 0 0 511.644 3.556 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NCc4ccco4)ccc3c(=O)n(-c3ccccc3)c2=O)cc1C ZINC000020153312 553598050 /nfs/dbraw/zinc/59/80/50/553598050.db2.gz MPHZISJOCUIKKS-UHFFFAOYSA-N 0 0 522.561 3.931 50 0 KHAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)CC2)c(OC)c1OC ZINC000020153342 553597978 /nfs/dbraw/zinc/59/79/78/553597978.db2.gz LPPZVZKLOBHIQX-UHFFFAOYSA-N 0 0 522.627 3.762 50 0 KHAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153395 553598075 /nfs/dbraw/zinc/59/80/75/553598075.db2.gz UVIFHFKXEINQLW-URLMMPGGSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153397 553597947 /nfs/dbraw/zinc/59/79/47/553597947.db2.gz UVIFHFKXEINQLW-VMPREFPWSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153399 553598037 /nfs/dbraw/zinc/59/80/37/553598037.db2.gz UVIFHFKXEINQLW-FQLXRVMXSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153401 553597984 /nfs/dbraw/zinc/59/79/84/553597984.db2.gz UVIFHFKXEINQLW-WDYNHAJCSA-N 0 0 511.622 3.885 50 0 KHAARN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154382 553598576 /nfs/dbraw/zinc/59/85/76/553598576.db2.gz AACPZLGRSLDWKC-GOSISDBHSA-N 0 0 509.447 3.725 50 0 KHAARN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154384 553598606 /nfs/dbraw/zinc/59/86/06/553598606.db2.gz AACPZLGRSLDWKC-SFHVURJKSA-N 0 0 509.447 3.725 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000020154402 553598678 /nfs/dbraw/zinc/59/86/78/553598678.db2.gz QYYREQRUIFNCPD-HNNXBMFYSA-N 0 0 509.403 3.768 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000020154405 553598664 /nfs/dbraw/zinc/59/86/64/553598664.db2.gz QYYREQRUIFNCPD-OAHLLOKOSA-N 0 0 509.403 3.768 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@H]23)CC1 ZINC000020155364 553599143 /nfs/dbraw/zinc/59/91/43/553599143.db2.gz RIHVFMVXBHGFPF-IZZNHLLZSA-N 0 0 521.614 3.622 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@H]23)CC1 ZINC000020155366 553599206 /nfs/dbraw/zinc/59/92/06/553599206.db2.gz RIHVFMVXBHGFPF-CLJLJLNGSA-N 0 0 521.614 3.622 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@@H]23)CC1 ZINC000020155368 553599170 /nfs/dbraw/zinc/59/91/70/553599170.db2.gz RIHVFMVXBHGFPF-UIOOFZCWSA-N 0 0 521.614 3.622 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4cc(OCC)c(OCC)cc4[C@@H]23)CC1 ZINC000020155370 553599166 /nfs/dbraw/zinc/59/91/66/553599166.db2.gz RIHVFMVXBHGFPF-FTJBHMTQSA-N 0 0 521.614 3.622 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000020155409 553599214 /nfs/dbraw/zinc/59/92/14/553599214.db2.gz VBOFGMHEGAOHEJ-IZZNHLLZSA-N 0 0 506.599 3.686 50 0 biogenic KHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000020155411 553599149 /nfs/dbraw/zinc/59/91/49/553599149.db2.gz VBOFGMHEGAOHEJ-CLJLJLNGSA-N 0 0 506.599 3.686 50 0 biogenic KHAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCC4(CC3)OCCO4)c3ccccc3C(=O)N1CC2 ZINC000020155413 553599421 /nfs/dbraw/zinc/59/94/21/553599421.db2.gz VBOFGMHEGAOHEJ-FTJBHMTQSA-N 0 0 506.599 3.686 50 0 biogenic KHAARN COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168515 553601359 /nfs/dbraw/zinc/60/13/59/553601359.db2.gz PCYDSOIUAIZFEY-JOCHJYFZSA-N 0 0 504.631 3.614 50 0 KHAARN COc1ccc(C(=O)NC[C@H](C)Oc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168518 553601353 /nfs/dbraw/zinc/60/13/53/553601353.db2.gz PCYDSOIUAIZFEY-QFIPXVFZSA-N 0 0 504.631 3.614 50 0 KHAARN O=C(NCCN1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1 ZINC000020174526 553602106 /nfs/dbraw/zinc/60/21/06/553602106.db2.gz CTDROTPSDPZYTM-SLMZUGIISA-N 0 0 521.621 3.759 50 0 KHAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 ZINC000020177582 553602814 /nfs/dbraw/zinc/60/28/14/553602814.db2.gz CHBSEOPBESURLY-UHFFFAOYSA-N 0 0 502.644 3.822 50 0 KHAARN CCOC(=O)c1c(C)oc2ccc(S(=O)(=O)Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)cc21 ZINC000020178155 553602661 /nfs/dbraw/zinc/60/26/61/553602661.db2.gz JTRUVJBLLAPCRP-UHFFFAOYSA-N 0 0 526.615 3.899 50 0 KHAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc(OC)c1OC ZINC000020182262 553604583 /nfs/dbraw/zinc/60/45/83/553604583.db2.gz LBRWDJYNVXHNKR-UHFFFAOYSA-N 0 0 508.556 3.909 50 0 KHAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OCC)N2C1=O ZINC000020182472 553604570 /nfs/dbraw/zinc/60/45/70/553604570.db2.gz VBDJXTFUXVJNDO-FQEVSTJZSA-N 0 0 507.616 3.722 50 0 KHAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3OCC)N2C1=O ZINC000020182474 553604564 /nfs/dbraw/zinc/60/45/64/553604564.db2.gz VBDJXTFUXVJNDO-HXUWFJFHSA-N 0 0 507.616 3.722 50 0 KHAARN CCc1c(C)sc(NC(=O)CCSCCC(=O)Nc2sc(C)c(CC)c2C(N)=O)c1C(N)=O ZINC000020191348 553605866 /nfs/dbraw/zinc/60/58/66/553605866.db2.gz DJNHHXKHPLIDMV-UHFFFAOYSA-N 0 0 510.707 3.840 50 0 KHAARN CCn1cc(C(=O)CSc2nnc(CN(c3ccc(F)cc3)S(C)(=O)=O)n2C)c2ccccc21 ZINC000020193829 553606196 /nfs/dbraw/zinc/60/61/96/553606196.db2.gz ZITLEBOUHJUVHF-UHFFFAOYSA-N 0 0 501.609 3.870 50 0 KHAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000020193924 553606116 /nfs/dbraw/zinc/60/61/16/553606116.db2.gz WVAUABJZWHTSRS-UHFFFAOYSA-N 0 0 515.995 3.927 50 0 KHAARN COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000020204637 561758735 /nfs/dbraw/zinc/75/87/35/561758735.db2.gz RZXALONUEFVMEM-UHFFFAOYSA-N 0 0 502.615 3.591 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208859 553609882 /nfs/dbraw/zinc/60/98/82/553609882.db2.gz KJDJEVZYYHMFIX-FQLXRVMXSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208862 553609796 /nfs/dbraw/zinc/60/97/96/553609796.db2.gz KJDJEVZYYHMFIX-URLMMPGGSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208865 553609903 /nfs/dbraw/zinc/60/99/03/553609903.db2.gz KJDJEVZYYHMFIX-WDYNHAJCSA-N 0 0 511.622 3.885 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208868 553609858 /nfs/dbraw/zinc/60/98/58/553609858.db2.gz KJDJEVZYYHMFIX-VMPREFPWSA-N 0 0 511.622 3.885 50 0 KHAARN CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1-c1ccccc1C ZINC000020214204 553612653 /nfs/dbraw/zinc/61/26/53/553612653.db2.gz PFFNHUYVHIOTQC-UHFFFAOYSA-N 0 0 501.634 3.863 50 0 KHAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC(C)C ZINC000020214208 553612685 /nfs/dbraw/zinc/61/26/85/553612685.db2.gz DRNOCGVFAGPQLA-UHFFFAOYSA-N 0 0 517.633 3.642 50 0 KHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020214511 553612871 /nfs/dbraw/zinc/61/28/71/553612871.db2.gz BVIJDJPFADWCBG-QGZVFWFLSA-N 0 0 503.625 3.736 50 0 KHAARN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000020214516 553612879 /nfs/dbraw/zinc/61/28/79/553612879.db2.gz BVIJDJPFADWCBG-KRWDZBQOSA-N 0 0 503.625 3.736 50 0 KHAARN CCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1[C@@H](C)Oc1ccc(F)cc1F ZINC000020214745 553613511 /nfs/dbraw/zinc/61/35/11/553613511.db2.gz UFDZGTMNDPUKNN-GFCCVEGCSA-N 0 0 510.592 3.914 50 0 KHAARN CCn1c(SCC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)nnc1[C@H](C)Oc1ccc(F)cc1F ZINC000020214748 553613494 /nfs/dbraw/zinc/61/34/94/553613494.db2.gz UFDZGTMNDPUKNN-LBPRGKRZSA-N 0 0 510.592 3.914 50 0 KHAARN CCn1cc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)c(C(=O)NCCOC)n1 ZINC000020215276 553613776 /nfs/dbraw/zinc/61/37/76/553613776.db2.gz LQPOWYUAYFMLNI-UHFFFAOYSA-N 0 0 501.543 3.518 50 0 KHAARN CCn1cc(NC(=S)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(C(=O)Nc2ccccc2)n1 ZINC000020215317 553614127 /nfs/dbraw/zinc/61/41/27/553614127.db2.gz LARLIBLQAPZNNV-VAWYXSNFSA-N 0 0 509.588 3.708 50 0 KHAARN CCOC(=O)C[C@@H](NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)OCC)CC1)C2)c1ccc(C)cc1 ZINC000020216309 553614081 /nfs/dbraw/zinc/61/40/81/553614081.db2.gz MTTGXVHJKAUGEF-XMMPIXPASA-N 0 0 521.614 3.996 50 0 KHAARN CCOC(=O)C[C@H](NC(=O)c1cccc2c1C(=O)N(C1CCN(C(=O)OCC)CC1)C2)c1ccc(C)cc1 ZINC000020216311 553614130 /nfs/dbraw/zinc/61/41/30/553614130.db2.gz MTTGXVHJKAUGEF-DEOSSOPVSA-N 0 0 521.614 3.996 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCN(Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216352 553614121 /nfs/dbraw/zinc/61/41/21/553614121.db2.gz KGSDCIYBVDQDKU-UHFFFAOYSA-N 0 0 507.594 3.844 50 0 KHAARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020220615 553616090 /nfs/dbraw/zinc/61/60/90/553616090.db2.gz NNIJMVJFXWSTJS-UHFFFAOYSA-N 0 0 511.575 3.826 50 0 KHAARN Cc1ccc(C)n1CCN1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1 ZINC000020223899 553616403 /nfs/dbraw/zinc/61/64/03/553616403.db2.gz VMFIMLDJZFKNNE-UHFFFAOYSA-N 0 0 511.305 3.698 50 0 KHAARN CCOc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)sc2c1 ZINC000020231798 553617761 /nfs/dbraw/zinc/61/77/61/553617761.db2.gz NOCCXEDZFCABRT-QFIPXVFZSA-N 0 0 516.645 3.546 50 0 KHAARN CCOc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)sc2c1 ZINC000020231802 553617708 /nfs/dbraw/zinc/61/77/08/553617708.db2.gz NOCCXEDZFCABRT-JOCHJYFZSA-N 0 0 516.645 3.546 50 0 KHAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000020232273 553618096 /nfs/dbraw/zinc/61/80/96/553618096.db2.gz IOWGHJPVBQKQSD-RUZDIDTESA-N 0 0 507.612 3.523 50 0 KHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000020232277 553617949 /nfs/dbraw/zinc/61/79/49/553617949.db2.gz IOWGHJPVBQKQSD-VWLOTQADSA-N 0 0 507.612 3.523 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]3CCCc4ccccc43)ccc21 ZINC000020232369 553618207 /nfs/dbraw/zinc/61/82/07/553618207.db2.gz UVWVVOLFWNOEBI-SXOMAYOGSA-N 0 0 517.651 3.679 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H]3CCCc4ccccc43)ccc21 ZINC000020232374 553618244 /nfs/dbraw/zinc/61/82/44/553618244.db2.gz UVWVVOLFWNOEBI-KAYWLYCHSA-N 0 0 517.651 3.679 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]3CCCc4ccccc43)ccc21 ZINC000020232378 553618247 /nfs/dbraw/zinc/61/82/47/553618247.db2.gz UVWVVOLFWNOEBI-SVBPBHIXSA-N 0 0 517.651 3.679 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H]3CCCc4ccccc43)ccc21 ZINC000020232382 553618292 /nfs/dbraw/zinc/61/82/92/553618292.db2.gz UVWVVOLFWNOEBI-RRPNLBNLSA-N 0 0 517.651 3.679 50 0 KHAARN COc1ccc2nc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1 ZINC000020232508 553618214 /nfs/dbraw/zinc/61/82/14/553618214.db2.gz SMAZJDSHAULPMA-HXUWFJFHSA-N 0 0 516.645 3.546 50 0 KHAARN COc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1 ZINC000020232512 553618286 /nfs/dbraw/zinc/61/82/86/553618286.db2.gz SMAZJDSHAULPMA-FQEVSTJZSA-N 0 0 516.645 3.546 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(Br)cc3)ccc21 ZINC000020232704 553618583 /nfs/dbraw/zinc/61/85/83/553618583.db2.gz FAZQGZIWNNFYHC-HXUWFJFHSA-N 0 0 508.438 3.690 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(Br)cc3)ccc21 ZINC000020232709 553618518 /nfs/dbraw/zinc/61/85/18/553618518.db2.gz FAZQGZIWNNFYHC-FQEVSTJZSA-N 0 0 508.438 3.690 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000020232786 553618509 /nfs/dbraw/zinc/61/85/09/553618509.db2.gz MNXCHMYVKZFKKC-AREMUKBSSA-N 0 0 511.688 3.770 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000020232790 553618617 /nfs/dbraw/zinc/61/86/17/553618617.db2.gz MNXCHMYVKZFKKC-SANMLTNESA-N 0 0 511.688 3.770 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3nc4ccc(C)cc4s3)ccc21 ZINC000020232919 553618539 /nfs/dbraw/zinc/61/85/39/553618539.db2.gz OGAHXEXPVJJCNX-HXUWFJFHSA-N 0 0 500.646 3.845 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3nc4ccc(C)cc4s3)ccc21 ZINC000020232925 553618563 /nfs/dbraw/zinc/61/85/63/553618563.db2.gz OGAHXEXPVJJCNX-FQEVSTJZSA-N 0 0 500.646 3.845 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(Br)cc3C)ccc21 ZINC000020232931 553618483 /nfs/dbraw/zinc/61/84/83/553618483.db2.gz MVVRAUYIWKEGTN-OAQYLSRUSA-N 0 0 522.465 3.998 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(Br)cc3C)ccc21 ZINC000020232937 553618756 /nfs/dbraw/zinc/61/87/56/553618756.db2.gz MVVRAUYIWKEGTN-NRFANRHFSA-N 0 0 522.465 3.998 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000020232942 553618763 /nfs/dbraw/zinc/61/87/63/553618763.db2.gz PDRXPGWFAXFPAC-HXUWFJFHSA-N 0 0 513.538 3.826 50 0 KHAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000020232947 553618799 /nfs/dbraw/zinc/61/87/99/553618799.db2.gz PDRXPGWFAXFPAC-FQEVSTJZSA-N 0 0 513.538 3.826 50 0 KHAARN CCOc1ccc(OCC)c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000020232962 553618827 /nfs/dbraw/zinc/61/88/27/553618827.db2.gz MRFBGPXWOUNICU-HSZRJFAPSA-N 0 0 517.648 3.725 50 0 KHAARN CCOc1ccc(OCC)c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000020232967 553618806 /nfs/dbraw/zinc/61/88/06/553618806.db2.gz MRFBGPXWOUNICU-QHCPKHFHSA-N 0 0 517.648 3.725 50 0 KHAARN Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21 ZINC000020234317 553620234 /nfs/dbraw/zinc/62/02/34/553620234.db2.gz KNUBOZUJHMOUNM-UHFFFAOYSA-N 0 0 503.043 3.752 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(C)C)ccc21 ZINC000020234393 553620273 /nfs/dbraw/zinc/62/02/73/553620273.db2.gz SDNTYWSKYQEOBJ-NRFANRHFSA-N 0 0 513.538 3.826 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(C)C)ccc21 ZINC000020234398 553620245 /nfs/dbraw/zinc/62/02/45/553620245.db2.gz SDNTYWSKYQEOBJ-OAQYLSRUSA-N 0 0 513.538 3.826 50 0 KHAARN CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000020234516 553620538 /nfs/dbraw/zinc/62/05/38/553620538.db2.gz WKLXVAKKCLQMKM-XMMPIXPASA-N 0 0 521.639 3.913 50 0 KHAARN CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000020234519 553620612 /nfs/dbraw/zinc/62/06/12/553620612.db2.gz WKLXVAKKCLQMKM-DEOSSOPVSA-N 0 0 521.639 3.913 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(F)c(F)c3)ccc21 ZINC000020234522 553620522 /nfs/dbraw/zinc/62/05/22/553620522.db2.gz IEFYMJVRJYMDIA-QHCPKHFHSA-N 0 0 513.566 3.792 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(F)c(F)c3)ccc21 ZINC000020234525 553620602 /nfs/dbraw/zinc/62/06/02/553620602.db2.gz IEFYMJVRJYMDIA-HSZRJFAPSA-N 0 0 513.566 3.792 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3c4ccccc4C[C@@H]3C)ccc21 ZINC000020234528 553620635 /nfs/dbraw/zinc/62/06/35/553620635.db2.gz MXRBUJAKIBETTP-CPJSRVTESA-N 0 0 517.651 3.853 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3c4ccccc4C[C@@H]3C)ccc21 ZINC000020234532 553620554 /nfs/dbraw/zinc/62/05/54/553620554.db2.gz MXRBUJAKIBETTP-NBGIEHNGSA-N 0 0 517.651 3.853 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3c4ccccc4C[C@H]3C)ccc21 ZINC000020234536 553620619 /nfs/dbraw/zinc/62/06/19/553620619.db2.gz MXRBUJAKIBETTP-NLFFAJNJSA-N 0 0 517.651 3.853 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3c4ccccc4C[C@H]3C)ccc21 ZINC000020234541 553620606 /nfs/dbraw/zinc/62/06/06/553620606.db2.gz MXRBUJAKIBETTP-CJFMBICVSA-N 0 0 517.651 3.853 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cc(C)ccc3OC)ccc21 ZINC000020234545 553620577 /nfs/dbraw/zinc/62/05/77/553620577.db2.gz MEULMQAESLIQKP-DEOSSOPVSA-N 0 0 521.639 3.831 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3cc(C)ccc3OC)ccc21 ZINC000020234549 553620528 /nfs/dbraw/zinc/62/05/28/553620528.db2.gz MEULMQAESLIQKP-XMMPIXPASA-N 0 0 521.639 3.831 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3OC)ccc21 ZINC000020234576 553620508 /nfs/dbraw/zinc/62/05/08/553620508.db2.gz RXHOASFDSGIECA-QHCPKHFHSA-N 0 0 507.612 3.523 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3OC)ccc21 ZINC000020234579 553620904 /nfs/dbraw/zinc/62/09/04/553620904.db2.gz RXHOASFDSGIECA-HSZRJFAPSA-N 0 0 507.612 3.523 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21 ZINC000020234583 553620844 /nfs/dbraw/zinc/62/08/44/553620844.db2.gz SVDRGIHYGLNHCD-SANMLTNESA-N 0 0 519.667 3.543 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCCc3cccc(C)c3)ccc21 ZINC000020234587 553620854 /nfs/dbraw/zinc/62/08/54/553620854.db2.gz SVDRGIHYGLNHCD-AREMUKBSSA-N 0 0 519.667 3.543 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000020235717 553622609 /nfs/dbraw/zinc/62/26/09/553622609.db2.gz KKPKBUAXKQVOHY-GOSISDBHSA-N 0 0 503.005 3.882 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000020235721 553622530 /nfs/dbraw/zinc/62/25/30/553622530.db2.gz KKPKBUAXKQVOHY-SFHVURJKSA-N 0 0 503.005 3.882 50 0 KHAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000020235731 553622481 /nfs/dbraw/zinc/62/24/81/553622481.db2.gz SQDXTRQJBNBMLG-GOSISDBHSA-N 0 0 503.005 3.882 50 0 KHAARN Cc1ccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)C[C@H]2C)cc1 ZINC000020235784 553622538 /nfs/dbraw/zinc/62/25/38/553622538.db2.gz HZTSNJBPPVMJFV-DVECYGJZSA-N 0 0 521.668 3.757 50 0 KHAARN Cc1ccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)C[C@@H]2C)cc1 ZINC000020235788 553622579 /nfs/dbraw/zinc/62/25/79/553622579.db2.gz HZTSNJBPPVMJFV-CYFREDJKSA-N 0 0 521.668 3.757 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000020237164 553623833 /nfs/dbraw/zinc/62/38/33/553623833.db2.gz LXVDPKQOEYHSOB-UHFFFAOYSA-N 0 0 514.582 3.678 50 0 KHAARN C[C@H](C(=O)NCCCN1CCOCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237649 553624262 /nfs/dbraw/zinc/62/42/62/553624262.db2.gz MTJXELDXTWBQFD-SBUREZEXSA-N 0 0 506.043 3.961 50 0 KHAARN C[C@@H](C(=O)NCCCN1CCOCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237652 553624284 /nfs/dbraw/zinc/62/42/84/553624284.db2.gz MTJXELDXTWBQFD-HXOBKFHXSA-N 0 0 506.043 3.961 50 0 KHAARN C[C@H](C(=O)NCCCN1CCOCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237656 553624320 /nfs/dbraw/zinc/62/43/20/553624320.db2.gz MTJXELDXTWBQFD-GAJHUEQPSA-N 0 0 506.043 3.961 50 0 KHAARN C[C@@H](C(=O)NCCCN1CCOCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237659 553624384 /nfs/dbraw/zinc/62/43/84/553624384.db2.gz MTJXELDXTWBQFD-UZUQRXQVSA-N 0 0 506.043 3.961 50 0 KHAARN Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000020239479 553625370 /nfs/dbraw/zinc/62/53/70/553625370.db2.gz KXHLBISGKPIXOS-FNORWQNLSA-N 0 0 501.586 3.983 50 0 KHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)cc1OC ZINC000020239513 553625327 /nfs/dbraw/zinc/62/53/27/553625327.db2.gz UAVKZQMPXQJOGH-VQHVLOKHSA-N 0 0 501.561 3.803 50 0 KHAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)cc(OC)c1 ZINC000020239530 553625321 /nfs/dbraw/zinc/62/53/21/553625321.db2.gz YUAXGKBHLBYTKC-VOTSOKGWSA-N 0 0 501.561 3.803 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)c1 ZINC000020239533 553625374 /nfs/dbraw/zinc/62/53/74/553625374.db2.gz CPPKABRYQYEDHU-MDZDMXLPSA-N 0 0 513.572 3.963 50 0 KHAARN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccco3)CC2)c1 ZINC000020239564 553625621 /nfs/dbraw/zinc/62/56/21/553625621.db2.gz MAJBCIKSKOLUGP-RMKNXTFCSA-N 0 0 501.561 3.803 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)C(C)C)ccc21 ZINC000020239769 553625816 /nfs/dbraw/zinc/62/58/16/553625816.db2.gz SFSPFHPLLWXVON-JOCHJYFZSA-N 0 0 500.646 3.845 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3nc4ccc(C)cc4s3)C(C)C)ccc21 ZINC000020239772 553625851 /nfs/dbraw/zinc/62/58/51/553625851.db2.gz SFSPFHPLLWXVON-QFIPXVFZSA-N 0 0 500.646 3.845 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(C)cc1 ZINC000020239796 553625842 /nfs/dbraw/zinc/62/58/42/553625842.db2.gz LEYTXCJONHYPKU-UHFFFAOYSA-N 0 0 516.067 3.543 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239872 553626156 /nfs/dbraw/zinc/62/61/56/553626156.db2.gz DKBAVPJIMZDBJZ-UHFFFAOYSA-N 0 0 507.410 3.642 50 0 KHAARN COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239890 553626134 /nfs/dbraw/zinc/62/61/34/553626134.db2.gz QCYNASAEGXPVKU-UHFFFAOYSA-N 0 0 510.660 3.722 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000020239957 553626181 /nfs/dbraw/zinc/62/61/81/553626181.db2.gz YRZAZJXROONJRZ-UHFFFAOYSA-N 0 0 512.510 3.778 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000020240061 553626159 /nfs/dbraw/zinc/62/61/59/553626159.db2.gz HVAQQRYVFFOYCS-IBGZPJMESA-N 0 0 512.632 3.541 50 0 KHAARN Cn1cc(C(=O)NCCCSC2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020240268 553626396 /nfs/dbraw/zinc/62/63/96/553626396.db2.gz BTAQNYFWGKIASU-UHFFFAOYSA-N 0 0 505.706 3.899 50 0 KHAARN CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000020240462 553626350 /nfs/dbraw/zinc/62/63/50/553626350.db2.gz MHVSNPYQRLFITA-WOJBJXKFSA-N 0 0 507.656 3.887 50 0 KHAARN O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(Cc2ccccc2)CC1 ZINC000020240578 553626435 /nfs/dbraw/zinc/62/64/35/553626435.db2.gz PQAVZMYUZPTPTO-UHFFFAOYSA-N 0 0 503.418 3.974 50 0 KHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C)o2)cc1OC ZINC000020241671 553626742 /nfs/dbraw/zinc/62/67/42/553626742.db2.gz ABLAJXVCDZRECI-NEWXBXSUSA-N 0 0 511.644 3.962 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000020242397 553627305 /nfs/dbraw/zinc/62/73/05/553627305.db2.gz QODZASMFXXWRKM-QNGWXLTQSA-N 0 0 519.598 3.895 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000020242399 553627259 /nfs/dbraw/zinc/62/72/59/553627259.db2.gz QODZASMFXXWRKM-DIPNUNPCSA-N 0 0 519.598 3.895 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242547 553627501 /nfs/dbraw/zinc/62/75/01/553627501.db2.gz OOECACWIZPCZSV-QNGWXLTQSA-N 0 0 519.598 3.895 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242549 553627590 /nfs/dbraw/zinc/62/75/90/553627590.db2.gz OOECACWIZPCZSV-DIPNUNPCSA-N 0 0 519.598 3.895 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000020242709 553627784 /nfs/dbraw/zinc/62/77/84/553627784.db2.gz AQNPJYKKEVSSLS-DIPNUNPCSA-N 0 0 517.607 3.928 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000020242711 553627774 /nfs/dbraw/zinc/62/77/74/553627774.db2.gz AQNPJYKKEVSSLS-QNGWXLTQSA-N 0 0 517.607 3.928 50 0 KHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)N1CCC2(CC1)OCCO2 ZINC000020242733 553627836 /nfs/dbraw/zinc/62/78/36/553627836.db2.gz OUMUSHWKNFGIAN-PSXMRANNSA-N 0 0 502.592 3.993 50 0 biogenic KHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)N1CCC2(CC1)OCCO2 ZINC000020242735 553627863 /nfs/dbraw/zinc/62/78/63/553627863.db2.gz OUMUSHWKNFGIAN-BHVANESWSA-N 0 0 502.592 3.993 50 0 biogenic KHAARN COC(CN(C)C(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O)OC ZINC000020243008 553628105 /nfs/dbraw/zinc/62/81/05/553628105.db2.gz FZZFJRNJNFSWTP-UHFFFAOYSA-N 0 0 508.596 3.679 50 0 KHAARN Cc1cccc(CN2c3cc(C(=O)NCCN4CCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243041 553628087 /nfs/dbraw/zinc/62/80/87/553628087.db2.gz IZVFPNVMWHJMME-UHFFFAOYSA-N 0 0 503.624 3.814 50 0 KHAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)OC ZINC000020243080 553628150 /nfs/dbraw/zinc/62/81/50/553628150.db2.gz AKUDQHPCYHUPAW-UHFFFAOYSA-N 0 0 514.987 3.682 50 0 KHAARN O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000020243148 553628367 /nfs/dbraw/zinc/62/83/67/553628367.db2.gz DQYXRJSCTVFFSO-UHFFFAOYSA-N 0 0 507.587 3.645 50 0 KHAARN COC(CN(C)C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OC ZINC000020243158 553628334 /nfs/dbraw/zinc/62/83/34/553628334.db2.gz IUVKWFBYNUILBG-UHFFFAOYSA-N 0 0 512.559 3.510 50 0 KHAARN CCOC(CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)OCC ZINC000020243171 553628357 /nfs/dbraw/zinc/62/83/57/553628357.db2.gz DROUPTIPCLIART-UHFFFAOYSA-N 0 0 526.586 3.948 50 0 KHAARN COC(CNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O)OC ZINC000020243240 553628634 /nfs/dbraw/zinc/62/86/34/553628634.db2.gz IINNLDDYPQMFMY-UHFFFAOYSA-N 0 0 508.596 3.645 50 0 KHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)N1CCC2(CC1)OCCO2 ZINC000020243290 553628630 /nfs/dbraw/zinc/62/86/30/553628630.db2.gz AEYUJKWYFSECFY-UHFFFAOYSA-N 0 0 518.591 3.659 50 0 biogenic KHAARN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243326 553628652 /nfs/dbraw/zinc/62/86/52/553628652.db2.gz OXDIEYWBLFEPQQ-JOCHJYFZSA-N 0 0 503.624 3.894 50 0 KHAARN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243328 553628625 /nfs/dbraw/zinc/62/86/25/553628625.db2.gz OXDIEYWBLFEPQQ-QFIPXVFZSA-N 0 0 503.624 3.894 50 0 KHAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000020248628 553629098 /nfs/dbraw/zinc/62/90/98/553629098.db2.gz WGSDIHLZYDAHGV-DEOSSOPVSA-N 0 0 517.538 3.857 50 0 KHAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000020248630 553629129 /nfs/dbraw/zinc/62/91/29/553629129.db2.gz WGSDIHLZYDAHGV-XMMPIXPASA-N 0 0 517.538 3.857 50 0 KHAARN CC1(C)C[C@@H](C(=O)N2CCC(Oc3cccc(CN4CCN(Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256320 1066226404 /nfs/dbraw/zinc/22/64/04/1066226404.db2.gz XKJVRGSRZVISOS-SANMLTNESA-N 0 0 506.691 3.974 50 0 KHAARN CC1(C)C[C@H](C(=O)N2CCC(Oc3cccc(CN4CCN(Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256324 1066226330 /nfs/dbraw/zinc/22/63/30/1066226330.db2.gz XKJVRGSRZVISOS-AREMUKBSSA-N 0 0 506.691 3.974 50 0 KHAARN COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)c(C)n3n2)c(OC)c1 ZINC000020282757 553631643 /nfs/dbraw/zinc/63/16/43/553631643.db2.gz MQMYKFMOCZDZEE-UHFFFAOYSA-N 0 0 517.586 3.541 50 0 KHAARN Cc1cc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Br ZINC000020284227 553631869 /nfs/dbraw/zinc/63/18/69/553631869.db2.gz NAOUIHZGOUGWJX-QGZVFWFLSA-N 0 0 510.410 3.534 50 0 KHAARN Cc1cc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Br ZINC000020284231 553631873 /nfs/dbraw/zinc/63/18/73/553631873.db2.gz NAOUIHZGOUGWJX-KRWDZBQOSA-N 0 0 510.410 3.534 50 0 KHAARN CC(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020284459 553631966 /nfs/dbraw/zinc/63/19/66/553631966.db2.gz TTWFZNXVJIRPEK-JOCHJYFZSA-N 0 0 507.612 3.730 50 0 KHAARN CC(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020284463 553631959 /nfs/dbraw/zinc/63/19/59/553631959.db2.gz TTWFZNXVJIRPEK-QFIPXVFZSA-N 0 0 507.612 3.730 50 0 KHAARN Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 ZINC000020285467 553632204 /nfs/dbraw/zinc/63/22/04/553632204.db2.gz IKKGTQFROIYUBV-HSZRJFAPSA-N 0 0 500.690 3.642 50 0 KHAARN Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 ZINC000020285470 553632150 /nfs/dbraw/zinc/63/21/50/553632150.db2.gz IKKGTQFROIYUBV-QHCPKHFHSA-N 0 0 500.690 3.642 50 0 KHAARN C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288340 553633506 /nfs/dbraw/zinc/63/35/06/553633506.db2.gz GAPWIHOBWPCSNE-JIPXPUAJSA-N 0 0 515.683 3.956 50 0 KHAARN C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288344 553633368 /nfs/dbraw/zinc/63/33/68/553633368.db2.gz GAPWIHOBWPCSNE-KDYSTLNUSA-N 0 0 515.683 3.956 50 0 KHAARN C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288347 553633407 /nfs/dbraw/zinc/63/34/07/553633407.db2.gz GAPWIHOBWPCSNE-ZBLYBZFDSA-N 0 0 515.683 3.956 50 0 KHAARN C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288351 553633492 /nfs/dbraw/zinc/63/34/92/553633492.db2.gz GAPWIHOBWPCSNE-IDISGSTGSA-N 0 0 515.683 3.956 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288775 553633763 /nfs/dbraw/zinc/63/37/63/553633763.db2.gz PMYKRPMYTAJDLI-UQBPGWFLSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288777 553633597 /nfs/dbraw/zinc/63/35/97/553633597.db2.gz PMYKRPMYTAJDLI-KBMIEXCESA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288780 553633640 /nfs/dbraw/zinc/63/36/40/553633640.db2.gz PMYKRPMYTAJDLI-DFBJGRDBSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288783 553633676 /nfs/dbraw/zinc/63/36/76/553633676.db2.gz PMYKRPMYTAJDLI-CLOONOSVSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288824 553633618 /nfs/dbraw/zinc/63/36/18/553633618.db2.gz UXXQXMJMIMUWCC-RXFWQSSRSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288827 553633738 /nfs/dbraw/zinc/63/37/38/553633738.db2.gz UXXQXMJMIMUWCC-FQRUVTKNSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288830 553633774 /nfs/dbraw/zinc/63/37/74/553633774.db2.gz UXXQXMJMIMUWCC-FNZWTVRRSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020288833 553633624 /nfs/dbraw/zinc/63/36/24/553633624.db2.gz UXXQXMJMIMUWCC-IBVKSMDESA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288847 553633746 /nfs/dbraw/zinc/63/37/46/553633746.db2.gz PWIBHFIZCUXBIM-UQBPGWFLSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288850 553633633 /nfs/dbraw/zinc/63/36/33/553633633.db2.gz PWIBHFIZCUXBIM-KBMIEXCESA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288853 553633756 /nfs/dbraw/zinc/63/37/56/553633756.db2.gz PWIBHFIZCUXBIM-DFBJGRDBSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000020288856 553633728 /nfs/dbraw/zinc/63/37/28/553633728.db2.gz PWIBHFIZCUXBIM-CLOONOSVSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289034 553633996 /nfs/dbraw/zinc/63/39/96/553633996.db2.gz ZGPGFRIIBZPZAZ-UQBPGWFLSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289037 553634015 /nfs/dbraw/zinc/63/40/15/553634015.db2.gz ZGPGFRIIBZPZAZ-KBMIEXCESA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289040 553634040 /nfs/dbraw/zinc/63/40/40/553634040.db2.gz ZGPGFRIIBZPZAZ-DFBJGRDBSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289043 553633938 /nfs/dbraw/zinc/63/39/38/553633938.db2.gz ZGPGFRIIBZPZAZ-CLOONOSVSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289090 553634347 /nfs/dbraw/zinc/63/43/47/553634347.db2.gz LMVQWPZZPWVLAI-RXFWQSSRSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289095 553634192 /nfs/dbraw/zinc/63/41/92/553634192.db2.gz LMVQWPZZPWVLAI-FQRUVTKNSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289098 553634228 /nfs/dbraw/zinc/63/42/28/553634228.db2.gz LMVQWPZZPWVLAI-FNZWTVRRSA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020289101 553634320 /nfs/dbraw/zinc/63/43/20/553634320.db2.gz LMVQWPZZPWVLAI-IBVKSMDESA-N 0 0 524.662 3.623 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020289117 553634312 /nfs/dbraw/zinc/63/43/12/553634312.db2.gz AQVOLMMRADKDIA-UQBPGWFLSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020289121 553634291 /nfs/dbraw/zinc/63/42/91/553634291.db2.gz AQVOLMMRADKDIA-KBMIEXCESA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020289124 553634235 /nfs/dbraw/zinc/63/42/35/553634235.db2.gz AQVOLMMRADKDIA-DFBJGRDBSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020289127 553634223 /nfs/dbraw/zinc/63/42/23/553634223.db2.gz AQVOLMMRADKDIA-CLOONOSVSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289639 553634668 /nfs/dbraw/zinc/63/46/68/553634668.db2.gz FCQOQMVUANJSSA-CLOONOSVSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289641 553634717 /nfs/dbraw/zinc/63/47/17/553634717.db2.gz FCQOQMVUANJSSA-KBMIEXCESA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1N1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289644 553634581 /nfs/dbraw/zinc/63/45/81/553634581.db2.gz FCQOQMVUANJSSA-DFBJGRDBSA-N 0 0 510.635 3.580 50 0 KHAARN COc1ccccc1N1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020289647 553634765 /nfs/dbraw/zinc/63/47/65/553634765.db2.gz FCQOQMVUANJSSA-UQBPGWFLSA-N 0 0 510.635 3.580 50 0 KHAARN COc1cc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)ccc1OCc1ccccc1 ZINC000020293889 553635712 /nfs/dbraw/zinc/63/57/12/553635712.db2.gz LALTWVNVGQPEAJ-RPBOFIJWSA-N 0 0 504.635 3.915 50 0 KHAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1C(=O)OC(C)C ZINC000020294941 553635708 /nfs/dbraw/zinc/63/57/08/553635708.db2.gz OGYBXOVATBFYLN-UHFFFAOYSA-N 0 0 527.474 3.784 50 0 KHAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C(=O)OC(C)C ZINC000020294944 553635588 /nfs/dbraw/zinc/63/55/88/553635588.db2.gz HVMMPGOJOQVEMW-UHFFFAOYSA-N 0 0 527.474 3.784 50 0 KHAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C(=O)OC(C)C ZINC000020294957 553635644 /nfs/dbraw/zinc/63/56/44/553635644.db2.gz UYEAUWJLZUCSOY-UHFFFAOYSA-N 0 0 527.474 3.784 50 0 KHAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C(=O)OC(C)C ZINC000020295009 553635617 /nfs/dbraw/zinc/63/56/17/553635617.db2.gz JDJHXOZHBSQBBN-UHFFFAOYSA-N 0 0 513.447 3.788 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc(F)c2)N1CCCN1CCOCC1 ZINC000020308276 553636062 /nfs/dbraw/zinc/63/60/62/553636062.db2.gz RTIKTKWCEDITCE-NRFANRHFSA-N 0 0 501.352 3.962 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1CCCN1CCOCC1 ZINC000020308278 553636122 /nfs/dbraw/zinc/63/61/22/553636122.db2.gz RTIKTKWCEDITCE-OAQYLSRUSA-N 0 0 501.352 3.962 50 0 KHAARN COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)c2)c1 ZINC000020320323 553637595 /nfs/dbraw/zinc/63/75/95/553637595.db2.gz DHJXOYGHBLCPHT-UHFFFAOYSA-N 0 0 518.614 3.935 50 0 KHAARN COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4cc(OC)ccc4OC)CC3)c2)c1 ZINC000020320334 553637585 /nfs/dbraw/zinc/63/75/85/553637585.db2.gz GHMRTSZILHFRHP-UHFFFAOYSA-N 0 0 504.587 3.893 50 0 KHAARN CC1(C)C[C@@H](C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)CCO1 ZINC000020321989 1066291113 /nfs/dbraw/zinc/29/11/13/1066291113.db2.gz PXXDPUQHBUOVNE-QHCPKHFHSA-N 0 0 509.647 3.813 50 0 KHAARN CC1(C)C[C@H](C(=O)N2CCC(Oc3cccc(CN4CCN(C(=O)c5ccco5)CC4)c3)CC2)CCO1 ZINC000020321995 1066250916 /nfs/dbraw/zinc/25/09/16/1066250916.db2.gz PXXDPUQHBUOVNE-HSZRJFAPSA-N 0 0 509.647 3.813 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCn2c3ccccc3nc21)c1ccc(C(C)C)cc1 ZINC000020322661 553637839 /nfs/dbraw/zinc/63/78/39/553637839.db2.gz AGBMBXFIIBIUQZ-UHFFFAOYSA-N 0 0 506.632 3.752 50 0 KHAARN CCSc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)s1 ZINC000020323079 553638218 /nfs/dbraw/zinc/63/82/18/553638218.db2.gz QRJLREZHWNMFEF-UHFFFAOYSA-N 0 0 508.695 3.958 50 0 KHAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc3c(c1)OCCO3)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000020326457 553638801 /nfs/dbraw/zinc/63/88/01/553638801.db2.gz RVBSCBCMISIGSO-UHFFFAOYSA-N 0 0 514.534 3.968 50 0 KHAARN Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc4c(cc3c2=O)OCCO4)cc1 ZINC000020326471 553638859 /nfs/dbraw/zinc/63/88/59/553638859.db2.gz MJCYQNIEQGJZQZ-UHFFFAOYSA-N 0 0 512.518 3.722 50 0 KHAARN O=C(Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2cc3c(cc21)OCCO3)Nc1ccc2c(c1)OCO2 ZINC000020326530 553638806 /nfs/dbraw/zinc/63/88/06/553638806.db2.gz GONXQPVXFHMIKU-UHFFFAOYSA-N 0 0 502.454 3.510 50 0 KHAARN Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n3n2)n1 ZINC000020354988 553640475 /nfs/dbraw/zinc/64/04/75/553640475.db2.gz CSZJLFJNHFNRMX-UHFFFAOYSA-N 0 0 509.492 3.758 50 0 KHAARN Cc1cc(C)n(CCc2nc3c4ccccc4n(CC(=O)Nc4ccccc4C(F)(F)F)c(=O)n3n2)n1 ZINC000020354989 553640496 /nfs/dbraw/zinc/64/04/96/553640496.db2.gz DSUVHCVQPJBFHK-UHFFFAOYSA-N 0 0 509.492 3.758 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000020355398 553641469 /nfs/dbraw/zinc/64/14/69/553641469.db2.gz MZWWFUIIWRBYKP-YADARESESA-N 0 0 503.603 3.808 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000020355399 553641378 /nfs/dbraw/zinc/64/13/78/553641378.db2.gz MZWWFUIIWRBYKP-CYFREDJKSA-N 0 0 503.603 3.808 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)CC1 ZINC000020355400 553641432 /nfs/dbraw/zinc/64/14/32/553641432.db2.gz MZWWFUIIWRBYKP-NTKDMRAZSA-N 0 0 503.603 3.808 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)CC1 ZINC000020355401 553641434 /nfs/dbraw/zinc/64/14/34/553641434.db2.gz MZWWFUIIWRBYKP-DVECYGJZSA-N 0 0 503.603 3.808 50 0 KHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCSC2CCCCC2)C(=O)CO3)C1 ZINC000020355458 553641444 /nfs/dbraw/zinc/64/14/44/553641444.db2.gz GBPZTJWGMDXYNG-WOJBJXKFSA-N 0 0 537.748 3.651 50 0 KHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCSC2CCCCC2)C(=O)CO3)C1 ZINC000020355459 553641423 /nfs/dbraw/zinc/64/14/23/553641423.db2.gz GBPZTJWGMDXYNG-BGYRXZFFSA-N 0 0 537.748 3.651 50 0 KHAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCSC2CCCCC2)C(=O)CO3)C1 ZINC000020355460 553641401 /nfs/dbraw/zinc/64/14/01/553641401.db2.gz GBPZTJWGMDXYNG-PMACEKPBSA-N 0 0 537.748 3.651 50 0 KHAARN CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1 ZINC000020355799 553641913 /nfs/dbraw/zinc/64/19/13/553641913.db2.gz GKACQGMWPCTCHI-UHFFFAOYSA-N 0 0 505.579 3.626 50 0 KHAARN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[nH]2)cc1F ZINC000020355895 553641907 /nfs/dbraw/zinc/64/19/07/553641907.db2.gz KGKQDRVDKHAUBK-UHFFFAOYSA-N 0 0 512.382 3.544 50 0 KHAARN O=C(Cn1c(=O)n(CCc2c[nH]c3ccccc23)c(=O)c2cccnc21)Nc1ccccc1C(F)(F)F ZINC000020356847 553642144 /nfs/dbraw/zinc/64/21/44/553642144.db2.gz VNOCWJGEVDVFRK-UHFFFAOYSA-N 0 0 507.472 3.940 50 0 KHAARN CCN(CC)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CCN(C)C3 ZINC000020358388 553642829 /nfs/dbraw/zinc/64/28/29/553642829.db2.gz UMLIFHSRLIYEJR-UHFFFAOYSA-N 0 0 517.080 3.697 50 0 KHAARN O=C(CNC(=O)c1ccc(Cl)cc1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000020365824 553643239 /nfs/dbraw/zinc/64/32/39/553643239.db2.gz VFHAJODRWIWVPC-UHFFFAOYSA-N 0 0 517.335 3.993 50 0 KHAARN CCc1cc2c(cc3c(=O)n(CC(=O)NCc4cc(Br)ccc4OC)nc(CC)n23)s1 ZINC000020386322 553644126 /nfs/dbraw/zinc/64/41/26/553644126.db2.gz ZULSEIUSXDDVGN-UHFFFAOYSA-N 0 0 503.422 3.923 50 0 KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000020387035 553644041 /nfs/dbraw/zinc/64/40/41/553644041.db2.gz NAPQXLKGNVTDGM-FGWDOSGTSA-N 0 0 519.642 3.745 50 0 biogenic KHAARN Cc1cc2c(cc(C(=O)N3CCC(C(=O)NCCN4CCOCC4)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC000020388068 553644382 /nfs/dbraw/zinc/64/43/82/553644382.db2.gz MCVPZMKQRWRZAQ-UHFFFAOYSA-N 0 0 531.028 3.684 50 0 KHAARN C=C1C(N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020388564 553644364 /nfs/dbraw/zinc/64/43/64/553644364.db2.gz MCEKEOMXXVMSJV-UHFFFAOYSA-N 0 0 511.644 3.822 50 0 KHAARN COc1ccc(Br)cc1CNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C ZINC000020388675 553644371 /nfs/dbraw/zinc/64/43/71/553644371.db2.gz WACUHVLTEIDTSM-UHFFFAOYSA-N 0 0 507.406 3.961 50 0 KHAARN COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(Cl)c3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 ZINC000020388715 553644431 /nfs/dbraw/zinc/64/44/31/553644431.db2.gz ZKNFZATZXKFAAK-RUZDIDTESA-N 0 0 520.051 3.594 50 0 KHAARN COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(Cl)c3)[C@](C)(C(=O)NC3CCCCC3)C2)cc1 ZINC000020388721 553644438 /nfs/dbraw/zinc/64/44/38/553644438.db2.gz ZKNFZATZXKFAAK-VWLOTQADSA-N 0 0 520.051 3.594 50 0 KHAARN O=C(NCCN1CCOCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000020388977 553644666 /nfs/dbraw/zinc/64/46/66/553644666.db2.gz HCUCQMAZXQGNGY-UHFFFAOYSA-N 0 0 505.619 3.973 50 0 KHAARN O=C(NCCN1CCOCC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000020389268 553644707 /nfs/dbraw/zinc/64/47/07/553644707.db2.gz QCURWNQNWPMGCR-UHFFFAOYSA-N 0 0 505.619 3.973 50 0 KHAARN O=C(NCCN1CCOCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000020389455 553644692 /nfs/dbraw/zinc/64/46/92/553644692.db2.gz BGUFPQOSTUUGLT-UHFFFAOYSA-N 0 0 505.619 3.973 50 0 KHAARN COC(CNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3)OC ZINC000020391213 553644951 /nfs/dbraw/zinc/64/49/51/553644951.db2.gz WSFPRFNDUSRLDX-UHFFFAOYSA-N 0 0 505.666 3.680 50 0 KHAARN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1 ZINC000020410937 553646244 /nfs/dbraw/zinc/64/62/44/553646244.db2.gz BBMRBCRDAGPZBT-WNJJXGMVSA-N 0 0 500.643 3.699 50 0 biogenic KHAARN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)cc1 ZINC000020410940 553646298 /nfs/dbraw/zinc/64/62/98/553646298.db2.gz BBMRBCRDAGPZBT-LITSAYRRSA-N 0 0 500.643 3.699 50 0 biogenic KHAARN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020410955 553646305 /nfs/dbraw/zinc/64/63/05/553646305.db2.gz CWWJSEGCCZBEOE-GFIPARPBSA-N 0 0 516.682 3.783 50 0 biogenic KHAARN CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000020412743 553647185 /nfs/dbraw/zinc/64/71/85/553647185.db2.gz PFHAEVVTSITXSJ-UHFFFAOYSA-N 0 0 517.454 3.577 50 0 KHAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)c1cn(C)c2ccccc12 ZINC000020416230 553647463 /nfs/dbraw/zinc/64/74/63/553647463.db2.gz NWLATSUKIHOSPY-UHFFFAOYSA-N 0 0 501.609 3.870 50 0 KHAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000020416250 553647446 /nfs/dbraw/zinc/64/74/46/553647446.db2.gz ZGOVHVSTSLYMLN-UHFFFAOYSA-N 0 0 515.995 3.927 50 0 KHAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000020416281 553647708 /nfs/dbraw/zinc/64/77/08/553647708.db2.gz GRMUKIKOHDKIAV-UHFFFAOYSA-N 0 0 521.640 3.654 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1N(C)S(=O)(=O)c1ccccc1 ZINC000020418549 553647703 /nfs/dbraw/zinc/64/77/03/553647703.db2.gz QMFSLORYUMLPKO-UHFFFAOYSA-N 0 0 513.685 3.635 50 0 KHAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccccc2)c2ccccc21 ZINC000020438565 553648909 /nfs/dbraw/zinc/64/89/09/553648909.db2.gz WCQMNVAFOLIWDX-JLPGSUDCSA-N 0 0 520.586 3.522 50 0 KHAARN CCCN(CCC)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1F ZINC000020438578 553648897 /nfs/dbraw/zinc/64/88/97/553648897.db2.gz JKOQCLCAHUNQJK-QJOMJCCJSA-N 0 0 514.623 3.854 50 0 KHAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCCCC2)c2ccccc21 ZINC000020438584 553648922 /nfs/dbraw/zinc/64/89/22/553648922.db2.gz JTMBSOQSGUPFBX-QJOMJCCJSA-N 0 0 512.607 3.608 50 0 KHAARN CCN(CC)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccccc1Cl ZINC000020438598 553648915 /nfs/dbraw/zinc/64/89/15/553648915.db2.gz YVUJVBPPLDPYRG-QNGOZBTKSA-N 0 0 503.024 3.589 50 0 KHAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)c2ccccc21 ZINC000020438604 553648906 /nfs/dbraw/zinc/64/89/06/553648906.db2.gz JBEQURONBBAUAN-JWGURIENSA-N 0 0 515.035 3.733 50 0 KHAARN Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccccc2)cc1 ZINC000020438623 553648925 /nfs/dbraw/zinc/64/89/25/553648925.db2.gz HQNSHQHWQDMOJF-UQQQWYQISA-N 0 0 516.623 3.692 50 0 KHAARN Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CCCCCC2)cc1 ZINC000020438649 553648930 /nfs/dbraw/zinc/64/89/30/553648930.db2.gz JSQSMMCPXMETOO-MOHJPFBDSA-N 0 0 508.644 3.778 50 0 KHAARN CCCN(CCC)C(=O)/C(=C/c1cn(S(=O)(=O)N(C)C)c2ccccc12)NC(=O)c1ccc(OC)cc1 ZINC000020438702 553648932 /nfs/dbraw/zinc/64/89/32/553648932.db2.gz NGXFUFOPNSGHJV-MOHJPFBDSA-N 0 0 526.659 3.724 50 0 KHAARN CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)Nc4ccccc4)n23)C1 ZINC000020439190 553649114 /nfs/dbraw/zinc/64/91/14/553649114.db2.gz JAZKSVTUPYEQSY-UHFFFAOYSA-N 0 0 502.625 3.814 50 0 KHAARN COc1cc(C(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)cc(OC)c1OC ZINC000020449210 1066858357 /nfs/dbraw/zinc/85/83/57/1066858357.db2.gz QOOCHUCEJLFAOF-UHFFFAOYSA-N 0 0 521.614 3.661 50 0 KHAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000020463078 553656370 /nfs/dbraw/zinc/65/63/70/553656370.db2.gz ZPHLYQNIHPQOCJ-UHFFFAOYSA-N 0 0 500.456 3.741 50 0 KHAARN O=S(=O)(c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1)N1CCOCC1 ZINC000020478578 553657339 /nfs/dbraw/zinc/65/73/39/553657339.db2.gz JDZLRRCQBMPUGO-UHFFFAOYSA-N 0 0 515.488 3.533 50 0 KHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000020478774 553657491 /nfs/dbraw/zinc/65/74/91/553657491.db2.gz GKNGWLPVOJBXRC-UHFFFAOYSA-N 0 0 504.244 3.995 50 0 KHAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1 ZINC000020481931 553658047 /nfs/dbraw/zinc/65/80/47/553658047.db2.gz SVDROTLGFZLTFC-UHFFFAOYSA-N 0 0 507.612 3.791 50 0 KHAARN CCOc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(C)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000020494428 553666982 /nfs/dbraw/zinc/66/69/82/553666982.db2.gz LXKVYBXYBQKNPF-UHFFFAOYSA-N 0 0 508.419 3.741 50 0 biogenic KHAARN Cc1cc(Cl)ccc1OCCN(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000020494451 553667005 /nfs/dbraw/zinc/66/70/05/553667005.db2.gz CUFNHTWRJDXCDI-UHFFFAOYSA-N 0 0 503.942 3.837 50 0 KHAARN O=C(NCCCN1CCN(C(=O)c2ccccc2Br)CC1)c1ccccc1Br ZINC000020494711 553666997 /nfs/dbraw/zinc/66/69/97/553666997.db2.gz SVNHNUFUUSMOGH-UHFFFAOYSA-N 0 0 509.242 3.790 50 0 KHAARN NC(=O)CSc1nc2sc(Cc3ccccc3)cc2c(=O)n1NC(=O)CSCc1ccccc1 ZINC000020522945 553669126 /nfs/dbraw/zinc/66/91/26/553669126.db2.gz HENVJPOHFWOULK-UHFFFAOYSA-N 0 0 510.666 3.630 50 0 KHAARN COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)c(OC)c1OC ZINC000020531698 553670079 /nfs/dbraw/zinc/67/00/79/553670079.db2.gz TZHLVCVFIQGPRR-UHFFFAOYSA-N 0 0 515.408 3.823 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)cc2C[C@H]1C ZINC000020532877 553670335 /nfs/dbraw/zinc/67/03/35/553670335.db2.gz FQVLGHVVVKJVGD-OAHLLOKOSA-N 0 0 525.549 3.922 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)cc2C[C@@H]1C ZINC000020532878 553670350 /nfs/dbraw/zinc/67/03/50/553670350.db2.gz FQVLGHVVVKJVGD-HNNXBMFYSA-N 0 0 525.549 3.922 50 0 KHAARN COc1ccccc1N1CCN(C(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)CC1 ZINC000020532915 553670336 /nfs/dbraw/zinc/67/03/36/553670336.db2.gz GRJBMEZUCLFXNP-UHFFFAOYSA-N 0 0 503.624 3.973 50 0 KHAARN COc1ccc(CCNc2nc3nnnn3c3sc4c(c32)CCN(Cc2ccccc2)C4)cc1OC ZINC000020533310 553670651 /nfs/dbraw/zinc/67/06/51/553670651.db2.gz SYDIROUTXKJNDO-UHFFFAOYSA-N 0 0 501.616 3.964 50 0 KHAARN COc1cc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561561 553672561 /nfs/dbraw/zinc/67/25/61/553672561.db2.gz GMZHSXYNDWGHQQ-OAQYLSRUSA-N 0 0 504.539 3.845 50 0 KHAARN COc1cc([C@H](CC(=O)NCc2ccc3c(c2)OCO3)N2Cc3ccccc3C2=O)cc(OC)c1OC ZINC000020561564 553672528 /nfs/dbraw/zinc/67/25/28/553672528.db2.gz GMZHSXYNDWGHQQ-NRFANRHFSA-N 0 0 504.539 3.845 50 0 KHAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCCO2 ZINC000020562003 553672763 /nfs/dbraw/zinc/67/27/63/553672763.db2.gz IPGXSGCBKQDEKA-UHFFFAOYSA-N 0 0 509.565 3.737 50 0 KHAARN CN(C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)no1)C1CCCCC1 ZINC000020562282 553672775 /nfs/dbraw/zinc/67/27/75/553672775.db2.gz LAXRTHATDIDMJF-UHFFFAOYSA-N 0 0 531.723 3.597 50 0 KHAARN CN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)no1)C1CCCCC1 ZINC000020562483 553673116 /nfs/dbraw/zinc/67/31/16/553673116.db2.gz GJAYZGPPCGMDMR-UHFFFAOYSA-N 0 0 518.456 3.514 50 0 KHAARN CN(C(=O)CCc1nc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)no1)C1CCCCC1 ZINC000020562486 553673101 /nfs/dbraw/zinc/67/31/01/553673101.db2.gz MPOUTNBGQKCNFH-UHFFFAOYSA-N 0 0 524.597 3.545 50 0 KHAARN CCN(C(=O)CCc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)no1)c1ccccc1 ZINC000020562606 553673317 /nfs/dbraw/zinc/67/33/17/553673317.db2.gz BCTZIUQLRXBYKS-UHFFFAOYSA-N 0 0 526.435 3.776 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccccc3)no2)c1=O ZINC000020562637 553673309 /nfs/dbraw/zinc/67/33/09/553673309.db2.gz QIZSWTUFESRLTF-UHFFFAOYSA-N 0 0 517.929 3.562 50 0 KHAARN C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2N1 ZINC000020569453 553674289 /nfs/dbraw/zinc/67/42/89/553674289.db2.gz MBUMCVJZWWFOGJ-RNCFNFMXSA-N 0 0 508.238 3.591 50 0 KHAARN C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2N1 ZINC000020569455 553674273 /nfs/dbraw/zinc/67/42/73/553674273.db2.gz MBUMCVJZWWFOGJ-ZANVPECISA-N 0 0 508.238 3.591 50 0 KHAARN C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2N1 ZINC000020569457 553674219 /nfs/dbraw/zinc/67/42/19/553674219.db2.gz MBUMCVJZWWFOGJ-NOZJJQNGSA-N 0 0 508.238 3.591 50 0 KHAARN C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2N1 ZINC000020569459 553674184 /nfs/dbraw/zinc/67/41/84/553674184.db2.gz MBUMCVJZWWFOGJ-TVQRCGJNSA-N 0 0 508.238 3.591 50 0 KHAARN C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c2C(N)=O)C1 ZINC000020572196 553674303 /nfs/dbraw/zinc/67/43/03/553674303.db2.gz ZDXXTBZZJIOBOS-TXEJJXNPSA-N 0 0 502.662 3.614 50 0 KHAARN C[C@H]1CCc2c(sc(NC(=O)CCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c2C(N)=O)C1 ZINC000020572198 553674346 /nfs/dbraw/zinc/67/43/46/553674346.db2.gz ZDXXTBZZJIOBOS-RYUDHWBXSA-N 0 0 502.662 3.614 50 0 KHAARN C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)c2C(N)=O)C1 ZINC000020572200 553674278 /nfs/dbraw/zinc/67/42/78/553674278.db2.gz ZDXXTBZZJIOBOS-VXGBXAGGSA-N 0 0 502.662 3.614 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCOCC3)cnn2-c2ccccc2Cl)CC1 ZINC000020575568 553675626 /nfs/dbraw/zinc/67/56/26/553675626.db2.gz FVEGVTCREZWQQM-UHFFFAOYSA-N 0 0 518.058 3.702 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCOCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000020575572 553675604 /nfs/dbraw/zinc/67/56/04/553675604.db2.gz KNJBALSEFKWEHL-UHFFFAOYSA-N 0 0 518.058 3.702 50 0 KHAARN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCOCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000020575575 553675566 /nfs/dbraw/zinc/67/55/66/553675566.db2.gz SRSUUIWOGPUOQO-UHFFFAOYSA-N 0 0 518.058 3.702 50 0 KHAARN Cc1cccc(C)c1-n1ncc(C(=O)NCCN2CCOCC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020576139 553676127 /nfs/dbraw/zinc/67/61/27/553676127.db2.gz AQQAQKCROIYHJT-UHFFFAOYSA-N 0 0 511.667 3.666 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1Cl ZINC000020577370 553676041 /nfs/dbraw/zinc/67/60/41/553676041.db2.gz POZNTKILIMAZIU-DEOSSOPVSA-N 0 0 500.935 3.649 50 0 KHAARN COc1ccc(N2C(=O)CS(=O)(=O)[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1Cl ZINC000020577373 553676159 /nfs/dbraw/zinc/67/61/59/553676159.db2.gz POZNTKILIMAZIU-XMMPIXPASA-N 0 0 500.935 3.649 50 0 KHAARN O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1ccc(Br)cc1 ZINC000020577405 553676108 /nfs/dbraw/zinc/67/61/08/553676108.db2.gz VJHZLVCFYBOFAF-HSZRJFAPSA-N 0 0 515.360 3.749 50 0 KHAARN O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1c1ccc(Br)cc1 ZINC000020577409 553676088 /nfs/dbraw/zinc/67/60/88/553676088.db2.gz VJHZLVCFYBOFAF-QHCPKHFHSA-N 0 0 515.360 3.749 50 0 KHAARN O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1ccc(Br)cc1 ZINC000020577489 553676172 /nfs/dbraw/zinc/67/61/72/553676172.db2.gz CRMHVGJFSVCJJC-HSZRJFAPSA-N 0 0 515.360 3.749 50 0 KHAARN O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3cccc(F)c3)c3ccccc32)N1c1ccc(Br)cc1 ZINC000020577492 553676118 /nfs/dbraw/zinc/67/61/18/553676118.db2.gz CRMHVGJFSVCJJC-QHCPKHFHSA-N 0 0 515.360 3.749 50 0 KHAARN CCn1cc(NC(=S)NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(C(=O)Nc2ccccc2)n1 ZINC000020586399 553676707 /nfs/dbraw/zinc/67/67/07/553676707.db2.gz LARLIBLQAPZNNV-QXMHVHEDSA-N 0 0 509.588 3.708 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)N2CCN(C=O)CC2)C1 ZINC000020598542 553677228 /nfs/dbraw/zinc/67/72/28/553677228.db2.gz KIKAQSXDLGEKBD-LJQANCHMSA-N 0 0 506.628 3.657 50 0 KHAARN CCOC(=O)[C@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)N2CCN(C=O)CC2)C1 ZINC000020598543 553677282 /nfs/dbraw/zinc/67/72/82/553677282.db2.gz KIKAQSXDLGEKBD-IBGZPJMESA-N 0 0 506.628 3.657 50 0 KHAARN CSc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cncs3)c(N3CCOCC3)nc2c1 ZINC000020599736 1066291879 /nfs/dbraw/zinc/29/18/79/1066291879.db2.gz CDUOZRNEWGYLRG-UHFFFAOYSA-N 0 0 525.700 3.905 50 0 KHAARN COc1cc(CN(Cc2ccncc2)C(=O)c2ccc(F)cc2)cc(OC)c1OCCN1CCOCC1 ZINC000020600165 1066291908 /nfs/dbraw/zinc/29/19/08/1066291908.db2.gz LSOVOHUEDHSNSJ-UHFFFAOYSA-N 0 0 509.578 3.792 50 0 KHAARN COc1ccccc1C(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1 ZINC000020600532 1066291922 /nfs/dbraw/zinc/29/19/22/1066291922.db2.gz DQVLKTPEEKTYSG-UHFFFAOYSA-N 0 0 521.614 3.661 50 0 KHAARN O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000020601151 553677233 /nfs/dbraw/zinc/67/72/33/553677233.db2.gz DJTKBWIUHYAAJG-SANMLTNESA-N 0 0 501.631 3.610 50 0 KHAARN O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000020601152 553677186 /nfs/dbraw/zinc/67/71/86/553677186.db2.gz DJTKBWIUHYAAJG-AREMUKBSSA-N 0 0 501.631 3.610 50 0 KHAARN Cc1nn(C)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000020602119 553677670 /nfs/dbraw/zinc/67/76/70/553677670.db2.gz DBVFVOHJSOLEPE-LYRGBEMXSA-N 0 0 518.042 3.878 50 0 KHAARN Cc1nn(C)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N=2 ZINC000020602120 553677619 /nfs/dbraw/zinc/67/76/19/553677619.db2.gz DBVFVOHJSOLEPE-JGTYQCAFSA-N 0 0 518.042 3.878 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000020602307 553677633 /nfs/dbraw/zinc/67/76/33/553677633.db2.gz KIEYXDKYCKUUOW-XOYGFPHKSA-N 0 0 503.653 3.769 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000020602308 553677628 /nfs/dbraw/zinc/67/76/28/553677628.db2.gz KIEYXDKYCKUUOW-YJADQXIJSA-N 0 0 503.653 3.769 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000020602341 553677661 /nfs/dbraw/zinc/67/76/61/553677661.db2.gz VOCOFENPNQQEHE-AQIZGWBQSA-N 0 0 515.639 3.917 50 0 KHAARN CCn1nc(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c1C ZINC000020602342 553677615 /nfs/dbraw/zinc/67/76/15/553677615.db2.gz VOCOFENPNQQEHE-ZDGAQAAHSA-N 0 0 515.639 3.917 50 0 KHAARN CCn1cc(NC(=O)c2cc(-c3c(C)nn(C)c3C)nc3c2c(C)nn3C)c(C(=O)NC2CCCCC2)n1 ZINC000020606501 553677793 /nfs/dbraw/zinc/67/77/93/553677793.db2.gz SNDLIZFQYPMRIA-UHFFFAOYSA-N 0 0 517.638 3.825 50 0 KHAARN S=C(NCCc1ccccc1)Nc1cnn(Cn2cc(NC(=S)NCCc3ccccc3)cn2)c1 ZINC000020608371 553677910 /nfs/dbraw/zinc/67/79/10/553677910.db2.gz XXGZDKNLGUHSIK-UHFFFAOYSA-N 0 0 504.689 3.644 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSC1=N/C(=C\c3cnn(C)c3)C(=O)N1C1CC1)CCCC2 ZINC000020608418 553677862 /nfs/dbraw/zinc/67/78/62/553677862.db2.gz FRZBQOQHEXOFNI-YVLHZVERSA-N 0 0 513.645 3.611 50 0 KHAARN COc1cc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020610026 553678641 /nfs/dbraw/zinc/67/86/41/553678641.db2.gz KVMNHGNOKFWQAY-UHFFFAOYSA-N 0 0 504.587 3.861 50 0 biogenic KHAARN 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KHAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1)NCCc1ccccc1 ZINC000020644084 553683757 /nfs/dbraw/zinc/68/37/57/553683757.db2.gz ZBUWGOQICWSFAS-UHFFFAOYSA-N 0 0 500.624 3.554 50 0 KHAARN CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1 ZINC000020644088 553683811 /nfs/dbraw/zinc/68/38/11/553683811.db2.gz LEWHAGWEZPAEIK-UHFFFAOYSA-N 0 0 514.651 3.896 50 0 KHAARN O=C(CCn1c(=O)c2ccccc2nc1SCC(=O)NCCc1ccccc1)NCCc1ccccc1 ZINC000020644090 553683759 /nfs/dbraw/zinc/68/37/59/553683759.db2.gz AMABFUHTXYEWOL-UHFFFAOYSA-N 0 0 514.651 3.597 50 0 KHAARN COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NCCc2ccccc2)c1 ZINC000020644092 553683806 /nfs/dbraw/zinc/68/38/06/553683806.db2.gz PDUWQCKKOQHABM-UHFFFAOYSA-N 0 0 516.623 3.885 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)NCCC1=CCCCC1)n(Cc1ccco1)c2=O ZINC000020644103 553683764 /nfs/dbraw/zinc/68/37/64/553683764.db2.gz LMCPYGSJCHLFFE-UHFFFAOYSA-N 0 0 524.643 3.513 50 0 KHAARN O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020644127 553684051 /nfs/dbraw/zinc/68/40/51/553684051.db2.gz YKSSQPZDNMHORD-UHFFFAOYSA-N 0 0 506.628 3.553 50 0 KHAARN CCOC(CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccccc2c1=O)OCC ZINC000020644139 553684021 /nfs/dbraw/zinc/68/40/21/553684021.db2.gz BGASKDPOCZLZTR-UHFFFAOYSA-N 0 0 501.605 3.934 50 0 KHAARN CCOC(CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O)OCC ZINC000020644141 553684085 /nfs/dbraw/zinc/68/40/85/553684085.db2.gz JJNDTPHAGKSXAV-UHFFFAOYSA-N 0 0 510.660 3.627 50 0 KHAARN CCCC[N@H+](C)CCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000020644158 553684057 /nfs/dbraw/zinc/68/40/57/553684057.db2.gz AQYUSJVRUBWSQH-UHFFFAOYSA-N 0 0 503.466 3.958 50 0 KHAARN CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000020644160 553684075 /nfs/dbraw/zinc/68/40/75/553684075.db2.gz HYRKVQMCYXDKEJ-UHFFFAOYSA-N 0 0 503.466 3.958 50 0 KHAARN O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000020644166 553684016 /nfs/dbraw/zinc/68/40/16/553684016.db2.gz RYSRWADAWZFAAL-UHFFFAOYSA-N 0 0 501.450 3.712 50 0 KHAARN COc1ccc(CCNC(=O)CCn2c(SCc3cccnc3)nc3ccccc3c2=O)cc1OC ZINC000020644224 553684055 /nfs/dbraw/zinc/68/40/55/553684055.db2.gz IAUQFIOKIOQECJ-UHFFFAOYSA-N 0 0 504.612 3.850 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1)N1CCCC1 ZINC000020644255 553684072 /nfs/dbraw/zinc/68/40/72/553684072.db2.gz LXJWHQIAGLNCGV-UHFFFAOYSA-N 0 0 510.019 3.753 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000020644264 553684342 /nfs/dbraw/zinc/68/43/42/553684342.db2.gz NITWXFDTTSFWGV-UHFFFAOYSA-N 0 0 515.079 3.961 50 0 KHAARN CCOC(CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2ccccc2c1=O)OCC ZINC000020644326 553684338 /nfs/dbraw/zinc/68/43/38/553684338.db2.gz LPOWGFXYCZAUBM-UHFFFAOYSA-N 0 0 529.659 3.654 50 0 KHAARN O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)N1CCC([NH+]2CCCCC2)CC1 ZINC000020644553 553684633 /nfs/dbraw/zinc/68/46/33/553684633.db2.gz CUZSBAUEYBCSDT-UHFFFAOYSA-N 0 0 527.735 3.933 50 0 KHAARN CC[C@@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC[C@@H]1CCCO1 ZINC000020644853 553685016 /nfs/dbraw/zinc/68/50/16/553685016.db2.gz NNGDCJQUYLFKIC-FUHWJXTLSA-N 0 0 529.688 3.515 50 0 KHAARN CC[C@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC[C@@H]1CCCO1 ZINC000020644856 553685057 /nfs/dbraw/zinc/68/50/57/553685057.db2.gz NNGDCJQUYLFKIC-WMZOPIPTSA-N 0 0 529.688 3.515 50 0 KHAARN CC[C@@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC[C@H]1CCCO1 ZINC000020644858 553684996 /nfs/dbraw/zinc/68/49/96/553684996.db2.gz NNGDCJQUYLFKIC-SJLPKXTDSA-N 0 0 529.688 3.515 50 0 KHAARN CC[C@H](Sc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)n1N)C(=O)NC[C@H]1CCCO1 ZINC000020644861 553685037 /nfs/dbraw/zinc/68/50/37/553685037.db2.gz NNGDCJQUYLFKIC-AEFFLSMTSA-N 0 0 529.688 3.515 50 0 KHAARN O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020645620 553684985 /nfs/dbraw/zinc/68/49/85/553684985.db2.gz YIURDOMDEALQGB-UHFFFAOYSA-N 0 0 506.628 3.553 50 0 KHAARN CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccccc1 ZINC000020645857 553685339 /nfs/dbraw/zinc/68/53/39/553685339.db2.gz MTMTZIQWDJTXQK-UHFFFAOYSA-N 0 0 500.690 3.852 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1cccc(C(F)(F)F)c1)Nc1nccs1 ZINC000020646408 553685320 /nfs/dbraw/zinc/68/53/20/553685320.db2.gz FOBIEYZIKCFQLF-UHFFFAOYSA-N 0 0 508.507 3.996 50 0 KHAARN O=C(CCc1cn(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020647255 553685393 /nfs/dbraw/zinc/68/53/93/553685393.db2.gz MUBMSBXXLBLBMB-NDEPHWFRSA-N 0 0 516.642 3.528 50 0 KHAARN O=C(CCc1cn(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020647258 553685286 /nfs/dbraw/zinc/68/52/86/553685286.db2.gz MUBMSBXXLBLBMB-MUUNZHRXSA-N 0 0 516.642 3.528 50 0 KHAARN O=C(CCCc1cn(CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020650900 553685619 /nfs/dbraw/zinc/68/56/19/553685619.db2.gz FBMBGCAWTYQAQH-LJAQVGFWSA-N 0 0 530.669 3.918 50 0 KHAARN O=C(CCCc1cn(CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020650903 553685570 /nfs/dbraw/zinc/68/55/70/553685570.db2.gz FBMBGCAWTYQAQH-GDLZYMKVSA-N 0 0 530.669 3.918 50 0 KHAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)c(C)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(OC)c1 ZINC000020663024 553685628 /nfs/dbraw/zinc/68/56/28/553685628.db2.gz ZXURODCOMUTQIE-VUURHOFGSA-N 0 0 527.621 3.899 50 0 biogenic KHAARN COc1cccc(C(=O)N/C(=C\C=C\c2ccccc2OC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000020663058 553685566 /nfs/dbraw/zinc/68/55/66/553685566.db2.gz XVXRUYBYOFQPFJ-RQVWVZHVSA-N 0 0 525.605 3.839 50 0 biogenic KHAARN O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1Cl ZINC000020663130 553685882 /nfs/dbraw/zinc/68/58/82/553685882.db2.gz GGSXRSVWUFRYHS-YLKQRKHXSA-N 0 0 517.969 3.647 50 0 biogenic KHAARN COc1cc(/C=C(/NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000020663138 553685859 /nfs/dbraw/zinc/68/58/59/553685859.db2.gz VMNCNWIVQFVYOA-MBIGCVILSA-N 0 0 535.641 3.557 50 0 biogenic KHAARN O=C(CSc1nc2n[nH]cc2c(=O)n1-c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000020663339 553685926 /nfs/dbraw/zinc/68/59/26/553685926.db2.gz NNYDNNZSHKITHR-UHFFFAOYSA-N 0 0 514.533 3.569 50 0 KHAARN Nc1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000020663969 553686105 /nfs/dbraw/zinc/68/61/05/553686105.db2.gz KMEVIIQRBRURFQ-CTNGQTDRSA-N 0 0 504.034 3.670 50 0 KHAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1Sc1ccc(F)cc1)OC ZINC000020664400 553686515 /nfs/dbraw/zinc/68/65/15/553686515.db2.gz IMJXPIWZVCTFBU-CALCHBBNSA-N 0 0 510.653 3.992 50 0 KHAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Sc1ccc(F)cc1)OC ZINC000020664402 553686457 /nfs/dbraw/zinc/68/64/57/553686457.db2.gz IMJXPIWZVCTFBU-IAGOWNOFSA-N 0 0 510.653 3.992 50 0 KHAARN COC(CNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Sc1ccc(F)cc1)OC ZINC000020664404 553686466 /nfs/dbraw/zinc/68/64/66/553686466.db2.gz IMJXPIWZVCTFBU-IRXDYDNUSA-N 0 0 510.653 3.992 50 0 KHAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2F)c1C ZINC000020664736 553686462 /nfs/dbraw/zinc/68/64/62/553686462.db2.gz SVDILINKPFCMOW-UHFFFAOYSA-N 0 0 525.602 3.930 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000020664885 553686521 /nfs/dbraw/zinc/68/65/21/553686521.db2.gz CEESFLNOKRXVBH-UHFFFAOYSA-N 0 0 503.474 3.560 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2F)CC1 ZINC000020677214 553687304 /nfs/dbraw/zinc/68/73/04/553687304.db2.gz UWRPNVZYAVMUIJ-UHFFFAOYSA-N 0 0 503.474 3.560 50 0 KHAARN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1F ZINC000020677274 553687661 /nfs/dbraw/zinc/68/76/61/553687661.db2.gz VXPMMYHPYCENJV-UHFFFAOYSA-N 0 0 525.602 3.930 50 0 KHAARN COc1cccc(CNC(=O)CNC(=S)N(Cc2cc(OC)c(OC)c(OC)c2)C2CCCC2)c1 ZINC000020679813 553687990 /nfs/dbraw/zinc/68/79/90/553687990.db2.gz HQKAEJQLUUUXPL-UHFFFAOYSA-N 0 0 501.649 3.657 50 0 KHAARN CCN(CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21)c1cccc(C)c1 ZINC000020683442 553688549 /nfs/dbraw/zinc/68/85/49/553688549.db2.gz SGEZZWJKCKXKTI-OAQYLSRUSA-N 0 0 524.687 3.904 50 0 KHAARN COc1ccc(Br)cc1CN1C(=O)CC[C@@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020684472 553688659 /nfs/dbraw/zinc/68/86/59/553688659.db2.gz UZSTZMWPNXWFKM-DEOSSOPVSA-N 0 0 505.409 3.715 50 0 KHAARN COc1ccc(Br)cc1CN1C(=O)CC[C@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020684478 553688577 /nfs/dbraw/zinc/68/85/77/553688577.db2.gz UZSTZMWPNXWFKM-XMMPIXPASA-N 0 0 505.409 3.715 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)CC2)cc1 ZINC000020686015 553688886 /nfs/dbraw/zinc/68/88/86/553688886.db2.gz DOOWVJZCJCKJSY-UHFFFAOYSA-N 0 0 501.693 3.641 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)CC3)CC2)cc1 ZINC000020686039 553689012 /nfs/dbraw/zinc/68/90/12/553689012.db2.gz WBRMYSBKNXDPEE-DNRQZRRGSA-N 0 0 503.709 3.575 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)CC3)CC2)cc1 ZINC000020686044 553688954 /nfs/dbraw/zinc/68/89/54/553688954.db2.gz WBRMYSBKNXDPEE-BPYKYCOYSA-N 0 0 503.709 3.575 50 0 KHAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCc1ccccc1Cl ZINC000020687615 553689565 /nfs/dbraw/zinc/68/95/65/553689565.db2.gz QOYKCXSOXLVSOA-UHFFFAOYSA-N 0 0 508.065 3.660 50 0 KHAARN Cc1ccc(CCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)cc1 ZINC000020724364 553689948 /nfs/dbraw/zinc/68/99/48/553689948.db2.gz MCOSEQQLDQDMSO-UHFFFAOYSA-N 0 0 515.701 3.746 50 0 KHAARN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000020724381 553689894 /nfs/dbraw/zinc/68/98/94/553689894.db2.gz GLOVOYIOGGXUQA-UHFFFAOYSA-N 0 0 500.430 3.546 50 0 KHAARN NC(=O)C1CCN(C(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)CC1 ZINC000020728995 553691261 /nfs/dbraw/zinc/69/12/61/553691261.db2.gz AVOOOORXZCATEA-DEDYPNTBSA-N 0 0 500.418 3.653 50 0 KHAARN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC(OC)OC)C2=O)cc1Br ZINC000020732368 553692444 /nfs/dbraw/zinc/69/24/44/553692444.db2.gz XRMRWWUVQFDTQU-YBFXNURJSA-N 0 0 507.406 3.673 50 0 KHAARN O=C(CN1C(=O)/C(=C\c2ccccc2Br)Oc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000020732951 553693008 /nfs/dbraw/zinc/69/30/08/553693008.db2.gz NHLKSCGDRZDDRC-HAVVHWLPSA-N 0 0 519.399 3.959 50 0 KHAARN CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCC(OCC)OCC)c2c1 ZINC000020737581 553694694 /nfs/dbraw/zinc/69/46/94/553694694.db2.gz CYTTYPJCJYGKSP-UHFFFAOYSA-N 0 0 500.621 3.504 50 0 KHAARN Cc1c(C(=O)NCc2ccccn2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000020757415 553695181 /nfs/dbraw/zinc/69/51/81/553695181.db2.gz MWYHKTPFISENDS-UHFFFAOYSA-N 0 0 501.490 3.749 50 0 KHAARN Cc1c(C(=O)NCc2cccnc2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000020757421 553695104 /nfs/dbraw/zinc/69/51/04/553695104.db2.gz NNMWWALMGNAAFP-UHFFFAOYSA-N 0 0 501.490 3.749 50 0 KHAARN CCCN1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1 ZINC000020757437 553695163 /nfs/dbraw/zinc/69/51/63/553695163.db2.gz JMMYFYYEVPIRRG-UHFFFAOYSA-N 0 0 521.565 3.592 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(Cl)c2)cc1OC ZINC000020759507 553695404 /nfs/dbraw/zinc/69/54/04/553695404.db2.gz USEXDQHMUZUOSD-UHFFFAOYSA-N 0 0 513.023 3.658 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(C(C)C)cc1 ZINC000020760410 553695890 /nfs/dbraw/zinc/69/58/90/553695890.db2.gz WVQHIYXGIAHJTM-UHFFFAOYSA-N 0 0 527.666 3.844 50 0 KHAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761572 553695826 /nfs/dbraw/zinc/69/58/26/553695826.db2.gz TWWURYBRSQIAGK-ZGQJUUMOSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761577 553695815 /nfs/dbraw/zinc/69/58/15/553695815.db2.gz TWWURYBRSQIAGK-YSRRZRNESA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761582 553695900 /nfs/dbraw/zinc/69/59/00/553695900.db2.gz TWWURYBRSQIAGK-PCEYSVKOSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761585 553695911 /nfs/dbraw/zinc/69/59/11/553695911.db2.gz TWWURYBRSQIAGK-KUXNCQQFSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc2N1C(=O)C1CCC1 ZINC000020762465 553696201 /nfs/dbraw/zinc/69/62/01/553696201.db2.gz QNPMIIMBTOVHNG-GOSISDBHSA-N 0 0 515.701 3.585 50 0 KHAARN Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763380 553696203 /nfs/dbraw/zinc/69/62/03/553696203.db2.gz MPQDZIAUPAVXAD-RXDUGQIKSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763385 553696188 /nfs/dbraw/zinc/69/61/88/553696188.db2.gz MPQDZIAUPAVXAD-GTEDWBNGSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763390 553696185 /nfs/dbraw/zinc/69/61/85/553696185.db2.gz MPQDZIAUPAVXAD-CYOUBLJMSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763395 553696174 /nfs/dbraw/zinc/69/61/74/553696174.db2.gz MPQDZIAUPAVXAD-BHUVWSLTSA-N 0 0 504.590 3.993 50 0 biogenic KHAARN COc1ccc([C@@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020766075 553697199 /nfs/dbraw/zinc/69/71/99/553697199.db2.gz LVTMVOSEWOHTNO-XMMPIXPASA-N 0 0 512.628 3.789 50 0 biogenic KHAARN COc1ccc([C@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020766080 553697278 /nfs/dbraw/zinc/69/72/78/553697278.db2.gz LVTMVOSEWOHTNO-DEOSSOPVSA-N 0 0 512.628 3.789 50 0 biogenic KHAARN O=C(CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000020766353 553697204 /nfs/dbraw/zinc/69/72/04/553697204.db2.gz UASDTLCZNNODNP-UHFFFAOYSA-N 0 0 520.371 3.803 50 0 KHAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000020766511 553697167 /nfs/dbraw/zinc/69/71/67/553697167.db2.gz HGLFPTMOJGQVES-UHFFFAOYSA-N 0 0 500.020 3.864 50 0 KHAARN COc1ccccc1N1CCN(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1 ZINC000020766586 553697567 /nfs/dbraw/zinc/69/75/67/553697567.db2.gz LPLZDVZQSSCMLL-UHFFFAOYSA-N 0 0 504.587 3.725 50 0 KHAARN CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000020766901 553697565 /nfs/dbraw/zinc/69/75/65/553697565.db2.gz VQTCGUXOJYGWCH-UHFFFAOYSA-N 0 0 502.615 3.859 50 0 KHAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2Cl)N3)c1 ZINC000020767716 553697705 /nfs/dbraw/zinc/69/77/05/553697705.db2.gz JXXRLTKOTRUXTK-QHCPKHFHSA-N 0 0 514.003 3.626 50 0 KHAARN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2Cl)N3)c1 ZINC000020767720 553697767 /nfs/dbraw/zinc/69/77/67/553697767.db2.gz JXXRLTKOTRUXTK-HSZRJFAPSA-N 0 0 514.003 3.626 50 0 KHAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768038 553697804 /nfs/dbraw/zinc/69/78/04/553697804.db2.gz IXXQRXZLIXARMY-RDGATRHJSA-N 0 0 507.587 3.981 50 0 KHAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768044 553697788 /nfs/dbraw/zinc/69/77/88/553697788.db2.gz IXXQRXZLIXARMY-RCZVLFRGSA-N 0 0 507.587 3.981 50 0 KHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768048 553697781 /nfs/dbraw/zinc/69/77/81/553697781.db2.gz IXXQRXZLIXARMY-DHLKQENFSA-N 0 0 507.587 3.981 50 0 KHAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2 ZINC000020768052 553697811 /nfs/dbraw/zinc/69/78/11/553697811.db2.gz IXXQRXZLIXARMY-WIOPSUGQSA-N 0 0 507.587 3.981 50 0 KHAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCc2ccccc2C1 ZINC000020768098 553697775 /nfs/dbraw/zinc/69/77/75/553697775.db2.gz DIBKSYKVGJLAKU-DEOSSOPVSA-N 0 0 510.015 3.886 50 0 KHAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCc2ccccc2C1 ZINC000020768104 553697712 /nfs/dbraw/zinc/69/77/12/553697712.db2.gz DIBKSYKVGJLAKU-XMMPIXPASA-N 0 0 510.015 3.886 50 0 KHAARN Cc1ccc(C)c(CS(=O)(=O)C[C@@H]2Nc3ccc(C(=O)N4CCc5ccccc5C4)cc3NC2=O)c1 ZINC000020768111 553697808 /nfs/dbraw/zinc/69/78/08/553697808.db2.gz DQNISNGXSFQNIO-SANMLTNESA-N 0 0 503.624 3.850 50 0 KHAARN Cc1ccc(C)c(CS(=O)(=O)C[C@H]2Nc3ccc(C(=O)N4CCc5ccccc5C4)cc3NC2=O)c1 ZINC000020768115 553697814 /nfs/dbraw/zinc/69/78/14/553697814.db2.gz DQNISNGXSFQNIO-AREMUKBSSA-N 0 0 503.624 3.850 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2)CC1 ZINC000020774970 553698115 /nfs/dbraw/zinc/69/81/15/553698115.db2.gz NINXJGWXOQMZRY-JOCHJYFZSA-N 0 0 509.603 3.621 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2)CC1 ZINC000020774973 553698049 /nfs/dbraw/zinc/69/80/49/553698049.db2.gz NINXJGWXOQMZRY-QFIPXVFZSA-N 0 0 509.603 3.621 50 0 KHAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cc(=O)n2nc(C)sc2n1 ZINC000020858741 553700249 /nfs/dbraw/zinc/70/02/49/553700249.db2.gz HINAQGCWOXEPOG-UHFFFAOYSA-N 0 0 507.597 3.891 50 0 KHAARN COc1ccccc1-c1ccc(C(=O)NCC2(N3CCOCC3)CCCC2)c(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000020863100 553700453 /nfs/dbraw/zinc/70/04/53/553700453.db2.gz KZBMPEKVHNCBBH-SZPZYZBQSA-N 0 0 508.663 3.746 50 0 KHAARN O=C(c1cc(F)cc(F)c1)N1CCC(c2noc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)CC1 ZINC000020869116 553700803 /nfs/dbraw/zinc/70/08/03/553700803.db2.gz ACZXKZTYUZYIBO-UHFFFAOYSA-N 0 0 502.543 3.819 50 0 KHAARN O=C(c1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccc(C(F)(F)F)cc3)c(=O)[nH]2)CC1 ZINC000020869126 553700670 /nfs/dbraw/zinc/70/06/70/553700670.db2.gz IDPIQBPQJWKOEW-UHFFFAOYSA-N 0 0 500.456 3.741 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCN2CCCC2=O)cc1 ZINC000020869201 553700731 /nfs/dbraw/zinc/70/07/31/553700731.db2.gz BMHWEZZSLJHALH-UHFFFAOYSA-N 0 0 519.670 3.542 50 0 KHAARN CCN1CCN(c2sc(S(=O)(=O)c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020869233 553700777 /nfs/dbraw/zinc/70/07/77/553700777.db2.gz RNDAGFHFVKEDOQ-UHFFFAOYSA-N 0 0 505.687 3.567 50 0 KHAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@@H]3c2ccc(OCC(N)=O)cc2)n1 ZINC000020891454 553701035 /nfs/dbraw/zinc/70/10/35/553701035.db2.gz ZACUUSPJWWSLRH-XMMPIXPASA-N 0 0 500.584 3.585 50 0 KHAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccc(OCC(N)=O)cc2)n1 ZINC000020891458 553701081 /nfs/dbraw/zinc/70/10/81/553701081.db2.gz ZACUUSPJWWSLRH-DEOSSOPVSA-N 0 0 500.584 3.585 50 0 KHAARN COc1ccccc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020905767 1066857957 /nfs/dbraw/zinc/85/79/57/1066857957.db2.gz DDHHEPHEDXMNLL-UHFFFAOYSA-N 0 0 517.605 3.560 50 0 KHAARN O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2cccc(CN3CCN(c4ncccn4)CC3)c2)CC1 ZINC000020908331 1066858116 /nfs/dbraw/zinc/85/81/16/1066858116.db2.gz UZYVNHJQHYEQEY-CIAFOILYSA-N 0 0 519.671 3.643 50 0 KHAARN COc1ccccc1-c1ccc(C(=O)NCCCN2CCOCC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020912417 553703485 /nfs/dbraw/zinc/70/34/85/553703485.db2.gz KPUBRYSZBDRYBV-UHFFFAOYSA-N 0 0 533.648 3.675 50 0 KHAARN O=C(c1cccc(N2CCCC2=O)c1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020917457 1066858215 /nfs/dbraw/zinc/85/82/15/1066858215.db2.gz GRZZTMFEHHWLQF-UHFFFAOYSA-N 0 0 514.626 3.762 50 0 KHAARN Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020919473 553704223 /nfs/dbraw/zinc/70/42/23/553704223.db2.gz TWXLJQAOKVJXAV-HHHXNRCGSA-N 0 0 517.674 3.864 50 0 KHAARN Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2ccc(CN3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020919481 553704235 /nfs/dbraw/zinc/70/42/35/553704235.db2.gz TWXLJQAOKVJXAV-MHZLTWQESA-N 0 0 517.674 3.864 50 0 KHAARN COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000020945870 553704901 /nfs/dbraw/zinc/70/49/01/553704901.db2.gz AEQRWPILBCZGBM-UHFFFAOYSA-N 0 0 518.433 3.919 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(-c1ccc(OC)cc1)c2=O ZINC000020945955 553704945 /nfs/dbraw/zinc/70/49/45/553704945.db2.gz XAGYEVTVMLCBRC-UHFFFAOYSA-N 0 0 521.570 3.885 50 0 KHAARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1Br ZINC000020978164 553704922 /nfs/dbraw/zinc/70/49/22/553704922.db2.gz VRIXPZHKBKLIHB-UHFFFAOYSA-N 0 0 522.421 3.598 50 0 KHAARN O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000020991876 553705280 /nfs/dbraw/zinc/70/52/80/553705280.db2.gz KYVVRCHBKNXDBR-UHFFFAOYSA-N 0 0 513.465 3.928 50 0 KHAARN CCC(CC)C(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N1CCN(C(C)=O)CC1)C[C@@H]1CCCO1 ZINC000020992690 1066858108 /nfs/dbraw/zinc/85/81/08/1066858108.db2.gz RJNTUWUMDHHOOF-QHCPKHFHSA-N 0 0 526.678 3.864 50 0 KHAARN CCC(CC)C(=O)N(Cc1cc2c(OC)ccc(OC)c2nc1N1CCN(C(C)=O)CC1)C[C@H]1CCCO1 ZINC000020992693 1066320633 /nfs/dbraw/zinc/32/06/33/1066320633.db2.gz RJNTUWUMDHHOOF-HSZRJFAPSA-N 0 0 526.678 3.864 50 0 KHAARN Cc1cc(C)n(CCC(=O)N(Cc2cc3ccc(F)cc3nc2N2CCC(O)CC2)C[C@@H]2CCCO2)n1 ZINC000020997618 1066858307 /nfs/dbraw/zinc/85/83/07/1066858307.db2.gz JIJAAVDVVDGDJD-VWLOTQADSA-N 0 0 509.626 3.746 50 0 KHAARN Cc1cc(C)n(CCC(=O)N(Cc2cc3ccc(F)cc3nc2N2CCC(O)CC2)C[C@H]2CCCO2)n1 ZINC000020997621 1066858038 /nfs/dbraw/zinc/85/80/38/1066858038.db2.gz JIJAAVDVVDGDJD-RUZDIDTESA-N 0 0 509.626 3.746 50 0 KHAARN COCc1c(C(=O)NCC2(N3CCOCC3)CCCC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000020997628 553705336 /nfs/dbraw/zinc/70/53/36/553705336.db2.gz ZMXBGQAHFYSAOX-UHFFFAOYSA-N 0 0 502.055 3.574 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)Cn3nc(C)cc3C)cc12 ZINC000020998069 1066858095 /nfs/dbraw/zinc/85/80/95/1066858095.db2.gz AZTAADMQBSPCFH-UHFFFAOYSA-N 0 0 519.602 3.724 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(C(=O)NC)cc4)oc3C)CC2)cc1 ZINC000021020534 553705651 /nfs/dbraw/zinc/70/56/51/553705651.db2.gz HCFBOVNRVVNCNU-UHFFFAOYSA-N 0 0 505.575 3.536 50 0 KHAARN Cc1ccc(Cn2c3cc(=O)n(CCN4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000021035098 553705935 /nfs/dbraw/zinc/70/59/35/553705935.db2.gz YZNYJXVXPJCYCY-UHFFFAOYSA-N 0 0 515.639 3.561 50 0 KHAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](Cc4ccccc4)C(=O)N32)c1OC ZINC000021052917 553705827 /nfs/dbraw/zinc/70/58/27/553705827.db2.gz MLDJVZYRJJJTGO-QFIPXVFZSA-N 0 0 514.607 3.955 50 0 KHAARN COc1cccc(CNC(=O)CSC2=Nc3ccccc3C3=N[C@H](Cc4ccccc4)C(=O)N32)c1OC ZINC000021052926 553705922 /nfs/dbraw/zinc/70/59/22/553705922.db2.gz MLDJVZYRJJJTGO-JOCHJYFZSA-N 0 0 514.607 3.955 50 0 KHAARN COc1cc([C@@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000021090908 553706272 /nfs/dbraw/zinc/70/62/72/553706272.db2.gz ATNMYAHKMJHISE-SANMLTNESA-N 0 0 521.526 3.883 50 0 KHAARN COc1cc([C@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000021090914 553706307 /nfs/dbraw/zinc/70/63/07/553706307.db2.gz ATNMYAHKMJHISE-AREMUKBSSA-N 0 0 521.526 3.883 50 0 KHAARN CCCN(C(=O)c1ccc(Br)cc1)C1(C(=O)NCc2ccccc2)CCN(C(C)=O)CC1 ZINC000021100683 553706652 /nfs/dbraw/zinc/70/66/52/553706652.db2.gz NUKDOGYIZALCNJ-UHFFFAOYSA-N 0 0 500.437 3.999 50 0 KHAARN O=C(c1ccccc1Br)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000021102250 553706635 /nfs/dbraw/zinc/70/66/35/553706635.db2.gz JQRFZWOWXMIQQU-UHFFFAOYSA-N 0 0 510.417 3.539 50 0 KHAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021111813 553706679 /nfs/dbraw/zinc/70/66/79/553706679.db2.gz NKKYBRGHZIMOKX-UHFFFAOYSA-N 0 0 515.941 3.965 50 0 KHAARN O=C(C1CCC1)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)ccc21 ZINC000021114038 553706680 /nfs/dbraw/zinc/70/66/80/553706680.db2.gz BVKIBGDBMIHUAS-UHFFFAOYSA-N 0 0 507.656 3.756 50 0 KHAARN O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000021114084 553706837 /nfs/dbraw/zinc/70/68/37/553706837.db2.gz YYCQJNUSQIINQJ-UHFFFAOYSA-N 0 0 501.674 3.545 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000021114165 553706762 /nfs/dbraw/zinc/70/67/62/553706762.db2.gz STKGAVZFGVXERR-GOSISDBHSA-N 0 0 506.024 3.687 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000021114169 553706779 /nfs/dbraw/zinc/70/67/79/553706779.db2.gz STKGAVZFGVXERR-SFHVURJKSA-N 0 0 506.024 3.687 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4nc5ccc(C)cc5s4)C3)ccc21 ZINC000021114174 553706843 /nfs/dbraw/zinc/70/68/43/553706843.db2.gz AAAKQWDQFVJNIF-LJQANCHMSA-N 0 0 512.657 3.943 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4nc5ccc(C)cc5s4)C3)ccc21 ZINC000021114179 553706834 /nfs/dbraw/zinc/70/68/34/553706834.db2.gz AAAKQWDQFVJNIF-IBGZPJMESA-N 0 0 512.657 3.943 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)ccc21 ZINC000021114183 553706793 /nfs/dbraw/zinc/70/67/93/553706793.db2.gz CWMARPMDJLKCAR-GOSISDBHSA-N 0 0 525.549 3.924 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(OC(F)(F)F)cc4)C3)ccc21 ZINC000021114187 553706749 /nfs/dbraw/zinc/70/67/49/553706749.db2.gz CWMARPMDJLKCAR-SFHVURJKSA-N 0 0 525.549 3.924 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(Br)c4)C3)ccc21 ZINC000021114192 553706840 /nfs/dbraw/zinc/70/68/40/553706840.db2.gz CTBPGAXJPQYFSZ-GOSISDBHSA-N 0 0 520.449 3.788 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(Br)c4)C3)ccc21 ZINC000021114197 553706814 /nfs/dbraw/zinc/70/68/14/553706814.db2.gz CTBPGAXJPQYFSZ-SFHVURJKSA-N 0 0 520.449 3.788 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000021116394 553706757 /nfs/dbraw/zinc/70/67/57/553706757.db2.gz XKNSLFGGMDPKKR-UHFFFAOYSA-N 0 0 512.028 3.520 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000021116398 553706823 /nfs/dbraw/zinc/70/68/23/553706823.db2.gz WRAFUBUGPWLPSR-UHFFFAOYSA-N 0 0 512.028 3.520 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021116406 553706767 /nfs/dbraw/zinc/70/67/67/553706767.db2.gz KUEHJXNFKDSOOH-OAHLLOKOSA-N 0 0 517.526 3.746 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000021116409 553707068 /nfs/dbraw/zinc/70/70/68/553707068.db2.gz KUEHJXNFKDSOOH-HNNXBMFYSA-N 0 0 517.526 3.746 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000021116429 553707070 /nfs/dbraw/zinc/70/70/70/553707070.db2.gz DYLWLOZNGGDNTC-MRXNPFEDSA-N 0 0 515.554 3.877 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000021116432 553707080 /nfs/dbraw/zinc/70/70/80/553707080.db2.gz DYLWLOZNGGDNTC-INIZCTEOSA-N 0 0 515.554 3.877 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000021116541 553707089 /nfs/dbraw/zinc/70/70/89/553707089.db2.gz UPFXXJYHZDSCEH-QGZVFWFLSA-N 0 0 518.661 3.776 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2nc3ccc(C)cc3s2)C1 ZINC000021116545 553707095 /nfs/dbraw/zinc/70/70/95/553707095.db2.gz UPFXXJYHZDSCEH-KRWDZBQOSA-N 0 0 518.661 3.776 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000021116581 553707016 /nfs/dbraw/zinc/70/70/16/553707016.db2.gz JSLSQJAQMDKCGU-MRXNPFEDSA-N 0 0 526.453 3.621 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Br)c2)C1 ZINC000021116585 553707061 /nfs/dbraw/zinc/70/70/61/553707061.db2.gz JSLSQJAQMDKCGU-INIZCTEOSA-N 0 0 526.453 3.621 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccno3)c2)C1 ZINC000021116590 553707058 /nfs/dbraw/zinc/70/70/58/553707058.db2.gz CTEJYERMQISPTP-LJQANCHMSA-N 0 0 514.604 3.513 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccno3)c2)C1 ZINC000021116594 553707093 /nfs/dbraw/zinc/70/70/93/553707093.db2.gz CTEJYERMQISPTP-IBGZPJMESA-N 0 0 514.604 3.513 50 0 KHAARN COc1cccc(CNC(=O)CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1OC ZINC000021117642 553707046 /nfs/dbraw/zinc/70/70/46/553707046.db2.gz RXWUAGQRVSKVEO-UHFFFAOYSA-N 0 0 511.625 3.818 50 0 KHAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000021117647 553707064 /nfs/dbraw/zinc/70/70/64/553707064.db2.gz ZWIZZPIFIOQSJL-UHFFFAOYSA-N 0 0 524.643 3.973 50 0 KHAARN O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000021117837 553707078 /nfs/dbraw/zinc/70/70/78/553707078.db2.gz LHMZFTDJUJKODS-UHFFFAOYSA-N 0 0 524.643 3.973 50 0 KHAARN O=C(c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000021146761 553707702 /nfs/dbraw/zinc/70/77/02/553707702.db2.gz XBYUBJILBHFIAI-UHFFFAOYSA-N 0 0 503.505 3.956 50 0 KHAARN COc1cc(NC(=O)c2cnc(N3CCN(c4ncccn4)CC3)c3ccccc23)cc(OC)c1OC ZINC000021147157 553707654 /nfs/dbraw/zinc/70/76/54/553707654.db2.gz IYZWFSSMWZCMMP-UHFFFAOYSA-N 0 0 500.559 3.630 50 0 KHAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021151286 553707644 /nfs/dbraw/zinc/70/76/44/553707644.db2.gz FUIAKTHFOVTZSI-PMERELPUSA-N 0 0 534.705 3.536 50 0 KHAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021151289 553707883 /nfs/dbraw/zinc/70/78/83/553707883.db2.gz FUIAKTHFOVTZSI-SSEXGKCCSA-N 0 0 534.705 3.536 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccccc1OC)N(Cc1ccc(SC)cc1)C2=O ZINC000021151291 553707928 /nfs/dbraw/zinc/70/79/28/553707928.db2.gz FPDZBSKDDSDKIL-HHHXNRCGSA-N 0 0 522.627 3.521 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1OC)N(Cc1ccc(SC)cc1)C2=O ZINC000021151294 553707878 /nfs/dbraw/zinc/70/78/78/553707878.db2.gz FPDZBSKDDSDKIL-MHZLTWQESA-N 0 0 522.627 3.521 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(CCc1ccc(Cl)cc1)C2=O ZINC000021151297 553707931 /nfs/dbraw/zinc/70/79/31/553707931.db2.gz DJNWBVURVLNMSL-HHHXNRCGSA-N 0 0 509.006 3.795 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(C)cc1)N(CCc1ccc(Cl)cc1)C2=O ZINC000021151299 553707889 /nfs/dbraw/zinc/70/78/89/553707889.db2.gz DJNWBVURVLNMSL-MHZLTWQESA-N 0 0 509.006 3.795 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(C)cc1)N(CCc1ccc(SC)cc1)C2=O ZINC000021151319 553707898 /nfs/dbraw/zinc/70/78/98/553707898.db2.gz RCFPJEDQLDFZJZ-MUUNZHRXSA-N 0 0 520.655 3.864 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(C)cc1)N(CCc1ccc(SC)cc1)C2=O ZINC000021151322 553707891 /nfs/dbraw/zinc/70/78/91/553707891.db2.gz RCFPJEDQLDFZJZ-NDEPHWFRSA-N 0 0 520.655 3.864 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(Cc1ccc(SC)cc1)C2=O ZINC000021151325 553707925 /nfs/dbraw/zinc/70/79/25/553707925.db2.gz USMCJUUHYRUUQL-AREMUKBSSA-N 0 0 510.591 3.652 50 0 KHAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccc(F)cc1)N(Cc1ccc(SC)cc1)C2=O ZINC000021151328 553707924 /nfs/dbraw/zinc/70/79/24/553707924.db2.gz USMCJUUHYRUUQL-SANMLTNESA-N 0 0 510.591 3.652 50 0 KHAARN CCOC(=O)C1CCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)CC1 ZINC000021154578 553707926 /nfs/dbraw/zinc/70/79/26/553707926.db2.gz JZHCNDNMTSKUKX-UHFFFAOYSA-N 0 0 507.454 3.986 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)C1 ZINC000021154608 553707921 /nfs/dbraw/zinc/70/79/21/553707921.db2.gz USMZOPSTWWMYPA-MRXNPFEDSA-N 0 0 507.454 3.986 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)C1 ZINC000021154612 553707927 /nfs/dbraw/zinc/70/79/27/553707927.db2.gz USMZOPSTWWMYPA-INIZCTEOSA-N 0 0 507.454 3.986 50 0 KHAARN COc1cc(NC(=O)N2CCN(Cc3nc4cccnc4n3-c3ccccc3)CC2)cc(OC)c1OC ZINC000021155053 553707870 /nfs/dbraw/zinc/70/78/70/553707870.db2.gz RFWZCRDOJUEBBA-UHFFFAOYSA-N 0 0 502.575 3.796 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)CS[C@@H]1NN=C(CCC(=O)N2CCCC2)C(=O)N1c1ccccc1 ZINC000021161665 553708338 /nfs/dbraw/zinc/70/83/38/553708338.db2.gz OCWAOAKLQWFCHN-RUZDIDTESA-N 0 0 514.051 3.999 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)CS[C@H]1NN=C(CCC(=O)N2CCCC2)C(=O)N1c1ccccc1 ZINC000021161669 553708327 /nfs/dbraw/zinc/70/83/27/553708327.db2.gz OCWAOAKLQWFCHN-VWLOTQADSA-N 0 0 514.051 3.999 50 0 KHAARN CCOc1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1 ZINC000021345349 553709451 /nfs/dbraw/zinc/70/94/51/553709451.db2.gz PNIWIHJYSKJWAA-SANMLTNESA-N 0 0 511.626 3.676 50 0 KHAARN CCOc1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1 ZINC000021345353 553709479 /nfs/dbraw/zinc/70/94/79/553709479.db2.gz PNIWIHJYSKJWAA-AREMUKBSSA-N 0 0 511.626 3.676 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348338 553709426 /nfs/dbraw/zinc/70/94/26/553709426.db2.gz KKJFVUSKHNXLCS-WUFINQPMSA-N 0 0 513.594 3.679 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000021348345 553709411 /nfs/dbraw/zinc/70/94/11/553709411.db2.gz KKJFVUSKHNXLCS-NSOVKSMOSA-N 0 0 513.594 3.679 50 0 KHAARN 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CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000023128778 553770732 /nfs/dbraw/zinc/77/07/32/553770732.db2.gz JECSPINDJJOPIC-OAQYLSRUSA-N 0 0 507.678 3.502 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 ZINC000023128779 553770622 /nfs/dbraw/zinc/77/06/22/553770622.db2.gz JECSPINDJJOPIC-NRFANRHFSA-N 0 0 507.678 3.502 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153785 553770756 /nfs/dbraw/zinc/77/07/56/553770756.db2.gz PWQXUSBPDKSZLC-UHFFFAOYSA-N 0 0 526.684 3.688 50 0 KHAARN COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153904 553770965 /nfs/dbraw/zinc/77/09/65/553770965.db2.gz AVRVYFHCSAQSKN-UHFFFAOYSA-N 0 0 513.641 3.596 50 0 KHAARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2=O)c1 ZINC000023304476 553771982 /nfs/dbraw/zinc/77/19/82/553771982.db2.gz OQKDEWVDSRCRHQ-UHFFFAOYSA-N 0 0 503.020 3.996 50 0 KHAARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2=O)c1 ZINC000023304860 553771886 /nfs/dbraw/zinc/77/18/86/553771886.db2.gz QZUYLFKXFWTXJV-UHFFFAOYSA-N 0 0 503.020 3.996 50 0 KHAARN CCOC(=O)CCCC(=O)N1CCN(C[C@@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000023305866 553772340 /nfs/dbraw/zinc/77/23/40/553772340.db2.gz BPBFKQXLDVDZIT-AREMUKBSSA-N 0 0 526.630 3.617 50 0 KHAARN CCOC(=O)CCCC(=O)N1CCN(C[C@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000023305868 553772302 /nfs/dbraw/zinc/77/23/02/553772302.db2.gz BPBFKQXLDVDZIT-SANMLTNESA-N 0 0 526.630 3.617 50 0 KHAARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)cc2=O)c1 ZINC000023309906 553772261 /nfs/dbraw/zinc/77/22/61/553772261.db2.gz DTGBNDJMGFCKGG-UHFFFAOYSA-N 0 0 504.555 3.620 50 0 KHAARN O=c1cc(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)occ1OCc1ccccc1Cl ZINC000023310652 553772573 /nfs/dbraw/zinc/77/25/73/553772573.db2.gz WLLTYFFKOXNAGM-UHFFFAOYSA-N 0 0 510.946 3.657 50 0 KHAARN COc1cc(C)ccc1S(=O)(=O)N1CCN(Cc2cc(=O)c(OCc3cc(C)cc(C)c3)co2)CC1 ZINC000023312771 553772545 /nfs/dbraw/zinc/77/25/45/553772545.db2.gz YJLVQOSONVPWTP-UHFFFAOYSA-N 0 0 512.628 3.659 50 0 KHAARN COC(=O)c1ccc2oc(=O)n(C3CCN(C(=O)/C=C/c4ccc(OC)c(OC)c4Cl)CC3)c2c1 ZINC000023314847 553772588 /nfs/dbraw/zinc/77/25/88/553772588.db2.gz CZODDALURWZVMJ-RMKNXTFCSA-N 0 0 500.935 3.929 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000023316198 553772559 /nfs/dbraw/zinc/77/25/59/553772559.db2.gz CQXKEGOVHWAQHG-UHFFFAOYSA-N 0 0 503.640 3.584 50 0 KHAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000023316320 553772551 /nfs/dbraw/zinc/77/25/51/553772551.db2.gz PNMDMKBQRHFJDT-UHFFFAOYSA-N 0 0 522.982 3.526 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)CSc2ccccc2)CC1 ZINC000023318427 553772534 /nfs/dbraw/zinc/77/25/34/553772534.db2.gz SHXOCCHLGRXMIQ-HXUWFJFHSA-N 0 0 503.690 3.557 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)CSc2ccccc2)CC1 ZINC000023318430 553772502 /nfs/dbraw/zinc/77/25/02/553772502.db2.gz SHXOCCHLGRXMIQ-FQEVSTJZSA-N 0 0 503.690 3.557 50 0 KHAARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4c(F)cc(F)cc4F)CC3)cc2=O)c1 ZINC000023319628 553772872 /nfs/dbraw/zinc/77/28/72/553772872.db2.gz LJDFSPIIAMBLAB-UHFFFAOYSA-N 0 0 522.545 3.759 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)C=C(C)C)CC1 ZINC000023321807 553772851 /nfs/dbraw/zinc/77/28/51/553772851.db2.gz CZAQSLKZQNFKFA-UHFFFAOYSA-N 0 0 511.688 3.953 50 0 KHAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)CCCCC(=O)OC)cc12 ZINC000023322460 553772858 /nfs/dbraw/zinc/77/28/58/553772858.db2.gz QIYSQYVAIRCUEO-UHFFFAOYSA-N 0 0 527.618 3.708 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)C2CCC2)CC1 ZINC000023322520 553772861 /nfs/dbraw/zinc/77/28/61/553772861.db2.gz SWIAAUBROVMFSH-UHFFFAOYSA-N 0 0 511.688 3.787 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000023322959 553772848 /nfs/dbraw/zinc/77/28/48/553772848.db2.gz YVZKKGNPUIIGKN-UHFFFAOYSA-N 0 0 500.448 3.995 50 0 KHAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)CCCC(=O)OCC)cc12 ZINC000023323247 553772862 /nfs/dbraw/zinc/77/28/62/553772862.db2.gz QXJOBAMPJUHBTM-UHFFFAOYSA-N 0 0 527.618 3.708 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000023323713 553773053 /nfs/dbraw/zinc/77/30/53/553773053.db2.gz AIQFXUZGQFTJPJ-UHFFFAOYSA-N 0 0 500.448 3.995 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1 ZINC000023326653 553773045 /nfs/dbraw/zinc/77/30/45/553773045.db2.gz BSAOVSJNMOILJZ-UHFFFAOYSA-N 0 0 500.448 3.995 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C4CCCCC4)CC3)c2)cc1 ZINC000023331200 553773281 /nfs/dbraw/zinc/77/32/81/553773281.db2.gz PXNAOKOPCBFKJE-UHFFFAOYSA-N 0 0 501.649 3.758 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000023332267 553773320 /nfs/dbraw/zinc/77/33/20/553773320.db2.gz HRAMGFSUNUXBEC-QGZVFWFLSA-N 0 0 510.031 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000023332269 553773269 /nfs/dbraw/zinc/77/32/69/553773269.db2.gz HRAMGFSUNUXBEC-KRWDZBQOSA-N 0 0 510.031 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000023332834 553773597 /nfs/dbraw/zinc/77/35/97/553773597.db2.gz IUZLANGBKGKEIU-QGZVFWFLSA-N 0 0 510.031 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000023332836 553773578 /nfs/dbraw/zinc/77/35/78/553773578.db2.gz IUZLANGBKGKEIU-KRWDZBQOSA-N 0 0 510.031 3.871 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c1 ZINC000023333053 553773633 /nfs/dbraw/zinc/77/36/33/553773633.db2.gz UIRVSBIIBSFBKW-UHFFFAOYSA-N 0 0 515.554 3.587 50 0 KHAARN O=C(C(=O)N1CCN(Cc2cc(=O)c(OCc3ccccc3Cl)co2)CC1)c1c[nH]c2ccccc21 ZINC000023333303 553773584 /nfs/dbraw/zinc/77/35/84/553773584.db2.gz FINDNTKUDAOSKJ-UHFFFAOYSA-N 0 0 505.958 3.881 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)c1 ZINC000023334633 553773630 /nfs/dbraw/zinc/77/36/30/553773630.db2.gz RZTRHSRSUPAESN-UHFFFAOYSA-N 0 0 517.545 3.846 50 0 KHAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCC(=O)N2CCOCC2)n3C2CCCC2)C1 ZINC000023334945 553773802 /nfs/dbraw/zinc/77/38/02/553773802.db2.gz BYLYYWXFHAAQPS-GOSISDBHSA-N 0 0 506.694 3.523 50 0 KHAARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nc(SCC(=O)N2CCOCC2)n3C2CCCC2)C1 ZINC000023334946 553773890 /nfs/dbraw/zinc/77/38/90/553773890.db2.gz BYLYYWXFHAAQPS-SFHVURJKSA-N 0 0 506.694 3.523 50 0 KHAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)NCCc3ccc(OC)cc3)CC2)nc1 ZINC000023336509 553774397 /nfs/dbraw/zinc/77/43/97/553774397.db2.gz CIBAGERICLWVGR-UHFFFAOYSA-N 0 0 503.603 3.816 50 0 KHAARN CC(C)Cc1nc(-c2cccc(CN3CCN(C(=O)[C@H]4CC(=O)N(Cc5ccccc5)C4)CC3)c2)no1 ZINC000023336748 553774460 /nfs/dbraw/zinc/77/44/60/553774460.db2.gz WFKGZEYDSPMUMV-VWLOTQADSA-N 0 0 501.631 3.628 50 0 KHAARN CC(C)Cc1nc(-c2cccc(CN3CCN(C(=O)[C@@H]4CC(=O)N(Cc5ccccc5)C4)CC3)c2)no1 ZINC000023336749 553774505 /nfs/dbraw/zinc/77/45/05/553774505.db2.gz WFKGZEYDSPMUMV-RUZDIDTESA-N 0 0 501.631 3.628 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CCN(Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000023362156 1066220095 /nfs/dbraw/zinc/22/00/95/1066220095.db2.gz RZEVHYBWMQTFSM-UHFFFAOYSA-N 0 0 520.699 3.940 50 0 KHAARN O=S(=O)(c1ccccc1)N1CCC(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000023362640 1066221291 /nfs/dbraw/zinc/22/12/91/1066221291.db2.gz XJNTZZPWYIVDRP-UHFFFAOYSA-N 0 0 506.672 3.632 50 0 KHAARN COc1ccccc1CCC(=O)NC[C@@H](C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 ZINC000023363066 553774786 /nfs/dbraw/zinc/77/47/86/553774786.db2.gz WQJNMXBIZXGMQY-XMMPIXPASA-N 0 0 502.659 3.924 50 0 KHAARN COc1ccccc1CCC(=O)NC[C@H](C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 ZINC000023363069 553774723 /nfs/dbraw/zinc/77/47/23/553774723.db2.gz WQJNMXBIZXGMQY-DEOSSOPVSA-N 0 0 502.659 3.924 50 0 KHAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(CC)CC)ccc3OC)CC2)cc1 ZINC000023424980 553775089 /nfs/dbraw/zinc/77/50/89/553775089.db2.gz QAGAGTMDACDXCQ-UHFFFAOYSA-N 0 0 523.721 3.579 50 0 KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCCCc3ccccc3)CC2)cc1OC ZINC000023432920 553776029 /nfs/dbraw/zinc/77/60/29/553776029.db2.gz KXHWMGVCJSZYPH-UHFFFAOYSA-N 0 0 531.657 3.536 50 0 biogenic KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)CCCOc3ccccc3)CC2)cc1OC ZINC000023433566 553776127 /nfs/dbraw/zinc/77/61/27/553776127.db2.gz RQBVFANKVGEJMU-UHFFFAOYSA-N 0 0 532.641 3.579 50 0 biogenic KHAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)COc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023433936 553776121 /nfs/dbraw/zinc/77/61/21/553776121.db2.gz CEVWYUPMHGDACW-NDEPHWFRSA-N 0 0 518.610 3.963 50 0 KHAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)COc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023433939 553776228 /nfs/dbraw/zinc/77/62/28/553776228.db2.gz CEVWYUPMHGDACW-MUUNZHRXSA-N 0 0 518.610 3.963 50 0 KHAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023434354 553776546 /nfs/dbraw/zinc/77/65/46/553776546.db2.gz KAELVFFFJCUWRD-VWLOTQADSA-N 0 0 511.022 3.884 50 0 KHAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2ccc(Cl)cc2)cc1 ZINC000023434358 553776509 /nfs/dbraw/zinc/77/65/09/553776509.db2.gz KAELVFFFJCUWRD-RUZDIDTESA-N 0 0 511.022 3.884 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(C(C)(C)CC)cc3)CC2)c1 ZINC000023436316 553776835 /nfs/dbraw/zinc/77/68/35/553776835.db2.gz HTJCFHCSIAGJDS-UHFFFAOYSA-N 0 0 537.748 3.924 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000023437341 553777070 /nfs/dbraw/zinc/77/70/70/553777070.db2.gz QEGVQCRBAYWFDR-OAQYLSRUSA-N 0 0 535.732 3.750 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000023437344 553777045 /nfs/dbraw/zinc/77/70/45/553777045.db2.gz QEGVQCRBAYWFDR-NRFANRHFSA-N 0 0 535.732 3.750 50 0 KHAARN COCCOCC(=O)N1CCN(Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000023437991 553777438 /nfs/dbraw/zinc/77/74/38/553777438.db2.gz CBMNTEIBPBXRPZ-UHFFFAOYSA-N 0 0 504.509 3.730 50 0 KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)cc1OC ZINC000023438503 553777764 /nfs/dbraw/zinc/77/77/64/553777764.db2.gz RHHWOCQZJRBBIE-LOSJGSFVSA-N 0 0 514.626 3.524 50 0 biogenic KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1OC ZINC000023438507 553777753 /nfs/dbraw/zinc/77/77/53/553777753.db2.gz RHHWOCQZJRBBIE-DQEYMECFSA-N 0 0 514.626 3.524 50 0 biogenic KHAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023438554 553777758 /nfs/dbraw/zinc/77/77/58/553777758.db2.gz ZELAHBXUYZHSPX-VWLOTQADSA-N 0 0 507.587 3.803 50 0 KHAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3c(C)noc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023438557 553777628 /nfs/dbraw/zinc/77/76/28/553777628.db2.gz ZELAHBXUYZHSPX-RUZDIDTESA-N 0 0 507.587 3.803 50 0 KHAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000023438785 553777635 /nfs/dbraw/zinc/77/76/35/553777635.db2.gz ZJWSPKLTAMEAIP-SANMLTNESA-N 0 0 519.621 3.925 50 0 KHAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000023438788 553777595 /nfs/dbraw/zinc/77/75/95/553777595.db2.gz ZJWSPKLTAMEAIP-AREMUKBSSA-N 0 0 519.621 3.925 50 0 KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000023440689 553778531 /nfs/dbraw/zinc/77/85/31/553778531.db2.gz MHPUGFLVTCFBKM-UHFFFAOYSA-N 0 0 509.006 3.687 50 0 biogenic KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cccc(C)c3C)CC2)cc1OC ZINC000023440799 553778478 /nfs/dbraw/zinc/77/84/78/553778478.db2.gz PQPVASBZKDJIND-UHFFFAOYSA-N 0 0 502.615 3.651 50 0 biogenic KHAARN CC[C@@H](C(=O)N1CCN(c2ncccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1)c1ccccc1 ZINC000023441844 553778788 /nfs/dbraw/zinc/77/87/88/553778788.db2.gz PTSIZICUXZXMLU-XMMPIXPASA-N 0 0 516.642 3.914 50 0 biogenic KHAARN CC[C@H](C(=O)N1CCN(c2ncccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1)c1ccccc1 ZINC000023441847 553778733 /nfs/dbraw/zinc/77/87/33/553778733.db2.gz PTSIZICUXZXMLU-DEOSSOPVSA-N 0 0 516.642 3.914 50 0 biogenic KHAARN CCOCCCNC(=O)c1cnc(-c2cccc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c2)nc1 ZINC000023441858 553778879 /nfs/dbraw/zinc/77/88/79/553778879.db2.gz XQXWFHREAMRCLQ-UHFFFAOYSA-N 0 0 506.603 3.632 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000023442104 553778889 /nfs/dbraw/zinc/77/88/89/553778889.db2.gz CSYHKTANGXFSJE-LJQANCHMSA-N 0 0 535.732 3.552 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000023442107 553778871 /nfs/dbraw/zinc/77/88/71/553778871.db2.gz CSYHKTANGXFSJE-IBGZPJMESA-N 0 0 535.732 3.552 50 0 KHAARN COCCOCC(=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000023442132 553778781 /nfs/dbraw/zinc/77/87/81/553778781.db2.gz ZHKHYAQYTXTPPK-UHFFFAOYSA-N 0 0 504.509 3.730 50 0 KHAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000023443341 553779330 /nfs/dbraw/zinc/77/93/30/553779330.db2.gz XQMHKUXJFRENTL-UHFFFAOYSA-N 0 0 503.386 3.979 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1 ZINC000023445318 553779963 /nfs/dbraw/zinc/77/99/63/553779963.db2.gz NUHBSALAOVWXOP-UHFFFAOYSA-N 0 0 537.748 3.779 50 0 KHAARN CCOc1ccc(-c2ccnc(N3CCN(C(=O)COc4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1 ZINC000023447095 553780870 /nfs/dbraw/zinc/78/08/70/553780870.db2.gz GQLJHWMEKURXDH-UHFFFAOYSA-N 0 0 508.447 3.965 50 0 KHAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023447639 553781073 /nfs/dbraw/zinc/78/10/73/553781073.db2.gz NORKBOKXZJBBOH-XMMPIXPASA-N 0 0 519.067 3.655 50 0 KHAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023447642 553781088 /nfs/dbraw/zinc/78/10/88/553781088.db2.gz NORKBOKXZJBBOH-DEOSSOPVSA-N 0 0 519.067 3.655 50 0 KHAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)N4CCSCC4)cn3)c2)cc1OC ZINC000023447899 553781113 /nfs/dbraw/zinc/78/11/13/553781113.db2.gz BNTAARBQSBYXOG-UHFFFAOYSA-N 0 0 506.628 3.665 50 0 KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1OC ZINC000023449201 553781696 /nfs/dbraw/zinc/78/16/96/553781696.db2.gz XDKMENOGZCCWQI-UHFFFAOYSA-N 0 0 526.996 3.826 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000023449380 553781692 /nfs/dbraw/zinc/78/16/92/553781692.db2.gz CJXLVGHJQBYXRZ-UHFFFAOYSA-N 0 0 515.607 3.528 50 0 KHAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3sccc3Cl)CC2)cc1OC ZINC000023449570 553781730 /nfs/dbraw/zinc/78/17/30/553781730.db2.gz KVYRWDWCMGAAOB-UHFFFAOYSA-N 0 0 515.035 3.749 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000023450151 553781862 /nfs/dbraw/zinc/78/18/62/553781862.db2.gz XWBXRGGAWDKJTJ-UHFFFAOYSA-N 0 0 511.644 3.731 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023450447 553781890 /nfs/dbraw/zinc/78/18/90/553781890.db2.gz CAIZMJDRTLRFFA-QFIPXVFZSA-N 0 0 503.466 3.895 50 0 KHAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000023450450 553781911 /nfs/dbraw/zinc/78/19/11/553781911.db2.gz CAIZMJDRTLRFFA-JOCHJYFZSA-N 0 0 503.466 3.895 50 0 KHAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc1 ZINC000023450925 553782238 /nfs/dbraw/zinc/78/22/38/553782238.db2.gz AMSHVULREXMSKM-UHFFFAOYSA-N 0 0 502.543 3.522 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)c2ccco2)CC1 ZINC000023451067 553782223 /nfs/dbraw/zinc/78/22/23/553782223.db2.gz ZIRFNQQSMMIYDR-UHFFFAOYSA-N 0 0 523.655 3.894 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccccc2C)n1 ZINC000023451756 553782504 /nfs/dbraw/zinc/78/25/04/553782504.db2.gz KYZFVSFRBKTJIF-UHFFFAOYSA-N 0 0 504.587 3.626 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000023451990 553782450 /nfs/dbraw/zinc/78/24/50/553782450.db2.gz BCRXDMJTEYBUHD-UHFFFAOYSA-N 0 0 511.619 3.660 50 0 KHAARN O=C(c1ccccc1OC(F)(F)F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000023452635 553782751 /nfs/dbraw/zinc/78/27/51/553782751.db2.gz DVOVTDWEJRJBSD-UHFFFAOYSA-N 0 0 513.520 3.841 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000023452641 553782761 /nfs/dbraw/zinc/78/27/61/553782761.db2.gz IGXHQSUSEQZZDR-UHFFFAOYSA-N 0 0 511.619 3.660 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)Cc2cccs2)CC1 ZINC000023452870 553782782 /nfs/dbraw/zinc/78/27/82/553782782.db2.gz BJLLXKZJXQUGMP-UHFFFAOYSA-N 0 0 513.685 3.511 50 0 KHAARN CCCN(CC1CC1)C(=O)C(=O)c1cn(CC(=O)OCC)c2ccc(NC(=O)c3c(C)noc3C)cc12 ZINC000023453157 553782734 /nfs/dbraw/zinc/78/27/34/553782734.db2.gz KGQANWZHSLTFIL-UHFFFAOYSA-N 0 0 508.575 3.893 50 0 KHAARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023454110 553783237 /nfs/dbraw/zinc/78/32/37/553783237.db2.gz IXIXRTTVGAWAMO-XMMPIXPASA-N 0 0 533.094 3.963 50 0 KHAARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023454112 553783222 /nfs/dbraw/zinc/78/32/22/553783222.db2.gz IXIXRTTVGAWAMO-DEOSSOPVSA-N 0 0 533.094 3.963 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCC(=O)OC)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000023454144 553783209 /nfs/dbraw/zinc/78/32/09/553783209.db2.gz VZPXSPCUQTZHKD-UHFFFAOYSA-N 0 0 522.577 3.847 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccc(F)cc3)cc2)CC1 ZINC000023454495 553783212 /nfs/dbraw/zinc/78/32/12/553783212.db2.gz REWFOSYCIDSJLO-UHFFFAOYSA-N 0 0 522.577 3.847 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCC(=O)OC)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000023454631 553783548 /nfs/dbraw/zinc/78/35/48/553783548.db2.gz JRZQGGLHKKGKPL-UHFFFAOYSA-N 0 0 522.577 3.847 50 0 KHAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc1 ZINC000023454791 553783603 /nfs/dbraw/zinc/78/36/03/553783603.db2.gz PYUSRSBMGJXIAK-UHFFFAOYSA-N 0 0 507.037 3.958 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3cccc(F)c3)cc2)CC1 ZINC000023455099 553783577 /nfs/dbraw/zinc/78/35/77/553783577.db2.gz MWQOIBDNZCQWGX-UHFFFAOYSA-N 0 0 522.577 3.847 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)COC(C)=O)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000023455792 553783852 /nfs/dbraw/zinc/78/38/52/553783852.db2.gz LUJSGJPJHNKYTA-UHFFFAOYSA-N 0 0 510.978 3.581 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000023455856 553783761 /nfs/dbraw/zinc/78/37/61/553783761.db2.gz SQMGBXCHBBGLDM-SDNWHVSQSA-N 0 0 517.651 3.804 50 0 KHAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cccc(OC)c1 ZINC000023456076 553784059 /nfs/dbraw/zinc/78/40/59/553784059.db2.gz LRLNUAAAEJSMKD-UHFFFAOYSA-N 0 0 505.662 3.785 50 0 KHAARN CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000023456466 553784061 /nfs/dbraw/zinc/78/40/61/553784061.db2.gz LKTFSSTYQHJOAA-UHFFFAOYSA-N 0 0 503.342 3.804 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)c2)cc1 ZINC000023456906 553784458 /nfs/dbraw/zinc/78/44/58/553784458.db2.gz HLLQHVANSNOGKY-CXUHLZMHSA-N 0 0 521.639 3.891 50 0 KHAARN O=C(NCc1cccs1)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023456970 553784437 /nfs/dbraw/zinc/78/44/37/553784437.db2.gz XKKRNRZGKYDLRI-UHFFFAOYSA-N 0 0 510.563 3.603 50 0 KHAARN O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)CC1 ZINC000023457065 553784374 /nfs/dbraw/zinc/78/43/74/553784374.db2.gz IPWBCJSCARWHMP-SFHVURJKSA-N 0 0 512.582 3.960 50 0 KHAARN O=C(NC[C@H]1CCCO1)c1cccnc1N1CCN(C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)CC1 ZINC000023457068 553784410 /nfs/dbraw/zinc/78/44/10/553784410.db2.gz IPWBCJSCARWHMP-GOSISDBHSA-N 0 0 512.582 3.960 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000023457207 553784415 /nfs/dbraw/zinc/78/44/15/553784415.db2.gz XOFNWBLTGWUYKX-UHFFFAOYSA-N 0 0 509.628 3.614 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(C)oc4C)CC3)c2)cc1 ZINC000023458114 553784676 /nfs/dbraw/zinc/78/46/76/553784676.db2.gz SDWHJEQKOSIDDB-UHFFFAOYSA-N 0 0 513.616 3.701 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000023458300 553784616 /nfs/dbraw/zinc/78/46/16/553784616.db2.gz BHOWQZVYDGITMP-UHFFFAOYSA-N 0 0 525.005 3.971 50 0 KHAARN COc1cc(-c2ccnc(N3CCN(C(=O)c4c(F)c(F)cc(F)c4F)CC3)n2)cc(OC)c1OC ZINC000023458481 553785050 /nfs/dbraw/zinc/78/50/50/553785050.db2.gz YYCAKZKWHRDFSZ-UHFFFAOYSA-N 0 0 506.456 3.688 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000023459065 553785241 /nfs/dbraw/zinc/78/52/41/553785241.db2.gz INFQOHOCGQHDLT-UHFFFAOYSA-N 0 0 509.603 3.544 50 0 KHAARN CCOc1ccc(-c2ccnc(N3CCN(S(=O)(=O)c4ccc(NC(C)=O)c(Cl)c4)CC3)n2)cc1 ZINC000023459095 553785192 /nfs/dbraw/zinc/78/51/92/553785192.db2.gz YZSMOOSIVXSXTN-UHFFFAOYSA-N 0 0 516.023 3.665 50 0 KHAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c1 ZINC000023459605 553785500 /nfs/dbraw/zinc/78/55/00/553785500.db2.gz PPNQRLXRUDWWFF-FQEVSTJZSA-N 0 0 503.646 3.537 50 0 KHAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c1 ZINC000023459609 553785547 /nfs/dbraw/zinc/78/55/47/553785547.db2.gz PPNQRLXRUDWWFF-HXUWFJFHSA-N 0 0 503.646 3.537 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cccc(F)c4)CC3)c2)cc1 ZINC000023459956 553785512 /nfs/dbraw/zinc/78/55/12/553785512.db2.gz XKRRWQNQMAFHPC-UHFFFAOYSA-N 0 0 513.591 3.630 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccccc4F)CC3)c2)cc1 ZINC000023460394 553785877 /nfs/dbraw/zinc/78/58/77/553785877.db2.gz IGPYPLMUPAUYBF-UHFFFAOYSA-N 0 0 513.591 3.630 50 0 KHAARN Cc1ccc(F)cc1CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@@H]1CCCO1 ZINC000023461063 553785989 /nfs/dbraw/zinc/78/59/89/553785989.db2.gz XSQDMXRCOIDPOR-FQEVSTJZSA-N 0 0 505.637 3.976 50 0 KHAARN Cc1ccc(F)cc1CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@H]1CCCO1 ZINC000023461065 553786080 /nfs/dbraw/zinc/78/60/80/553786080.db2.gz XSQDMXRCOIDPOR-HXUWFJFHSA-N 0 0 505.637 3.976 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000023461894 553786348 /nfs/dbraw/zinc/78/63/48/553786348.db2.gz RYHYZTCDXMLJOU-IBGZPJMESA-N 0 0 509.600 3.807 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)cc(F)c1)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000023461897 553786559 /nfs/dbraw/zinc/78/65/59/553786559.db2.gz RYHYZTCDXMLJOU-LJQANCHMSA-N 0 0 509.600 3.807 50 0 KHAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)cc1 ZINC000023461900 553786563 /nfs/dbraw/zinc/78/65/63/553786563.db2.gz GOCCIGBUHXMUFN-NRFANRHFSA-N 0 0 517.673 3.927 50 0 KHAARN CCOc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)cc1 ZINC000023461903 553786577 /nfs/dbraw/zinc/78/65/77/553786577.db2.gz GOCCIGBUHXMUFN-OAQYLSRUSA-N 0 0 517.673 3.927 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000023462065 553786535 /nfs/dbraw/zinc/78/65/35/553786535.db2.gz YFZVBUGNCRJZBD-SFHVURJKSA-N 0 0 509.600 3.807 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000023462068 553786619 /nfs/dbraw/zinc/78/66/19/553786619.db2.gz YFZVBUGNCRJZBD-GOSISDBHSA-N 0 0 509.600 3.807 50 0 KHAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000023462279 553786631 /nfs/dbraw/zinc/78/66/31/553786631.db2.gz MWQCAOSOQQJKMH-UHFFFAOYSA-N 0 0 508.522 3.726 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)n1 ZINC000023462351 553786832 /nfs/dbraw/zinc/78/68/32/553786832.db2.gz WJVJFSJBYMIAME-UHFFFAOYSA-N 0 0 517.579 3.909 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)ccc1F)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000023462405 553786887 /nfs/dbraw/zinc/78/68/87/553786887.db2.gz CERWMWDIATUYTJ-SFHVURJKSA-N 0 0 509.600 3.807 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)ccc1F)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000023462409 553786883 /nfs/dbraw/zinc/78/68/83/553786883.db2.gz CERWMWDIATUYTJ-GOSISDBHSA-N 0 0 509.600 3.807 50 0 KHAARN COCc1nc(-c2ccc(CN3CCN(C(=O)Cc4nc(-c5cccc(F)c5)oc4C)CC3)cc2)no1 ZINC000023462481 553786866 /nfs/dbraw/zinc/78/68/66/553786866.db2.gz WEESCNXDMHCDCU-UHFFFAOYSA-N 0 0 505.550 3.872 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000023462496 553786880 /nfs/dbraw/zinc/78/68/80/553786880.db2.gz VPQWRXYRQVHZEA-KRWDZBQOSA-N 0 0 509.600 3.807 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(F)c1F)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000023462499 553786876 /nfs/dbraw/zinc/78/68/76/553786876.db2.gz VPQWRXYRQVHZEA-QGZVFWFLSA-N 0 0 509.600 3.807 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000023485288 553787194 /nfs/dbraw/zinc/78/71/94/553787194.db2.gz RYPMBNSWBNKRBF-UHFFFAOYSA-N 0 0 527.618 3.695 50 0 KHAARN O=C(c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023633472 553787199 /nfs/dbraw/zinc/78/71/99/553787199.db2.gz IISFYGQAXLDGLD-UHFFFAOYSA-N 0 0 500.580 3.735 50 0 KHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1csc(-c2cccc(OC)c2)n1 ZINC000023907751 553787498 /nfs/dbraw/zinc/78/74/98/553787498.db2.gz MPKOACGUQXVZAW-UHFFFAOYSA-N 0 0 500.573 3.756 50 0 KHAARN CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@@H]1c1cccs1 ZINC000023982800 553787581 /nfs/dbraw/zinc/78/75/81/553787581.db2.gz NGKUUOCZLLLKMO-GOSISDBHSA-N 0 0 508.585 3.546 50 0 KHAARN CCOC(=O)C1=C(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)NC(=O)N[C@H]1c1cccs1 ZINC000023982803 553787678 /nfs/dbraw/zinc/78/76/78/553787678.db2.gz NGKUUOCZLLLKMO-SFHVURJKSA-N 0 0 508.585 3.546 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)NC(=O)N[C@@H]1c1ccco1 ZINC000024014437 553788220 /nfs/dbraw/zinc/78/82/20/553788220.db2.gz BDKSNUYESSFHIH-MRXNPFEDSA-N 0 0 509.375 3.522 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)NC(=O)N[C@H]1c1ccco1 ZINC000024014439 553788151 /nfs/dbraw/zinc/78/81/51/553788151.db2.gz BDKSNUYESSFHIH-INIZCTEOSA-N 0 0 509.375 3.522 50 0 KHAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000024023434 553788447 /nfs/dbraw/zinc/78/84/47/553788447.db2.gz FXBHCIVKLTZSTJ-UHFFFAOYSA-N 0 0 500.621 3.900 50 0 KHAARN CCCn1c(=O)c2c(nc1SCC1=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N1)sc1c2CCC1 ZINC000024032062 553788500 /nfs/dbraw/zinc/78/85/00/553788500.db2.gz AOTQZVMRGSKTAU-LJQANCHMSA-N 0 0 514.629 3.913 50 0 KHAARN CCCn1c(=O)c2c(nc1SCC1=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N1)sc1c2CCC1 ZINC000024032064 553788432 /nfs/dbraw/zinc/78/84/32/553788432.db2.gz AOTQZVMRGSKTAU-IBGZPJMESA-N 0 0 514.629 3.913 50 0 KHAARN COc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024192866 553789915 /nfs/dbraw/zinc/78/99/15/553789915.db2.gz WMCFQQWEVPMDBW-QFIPXVFZSA-N 0 0 513.388 3.832 50 0 KHAARN COc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1 ZINC000024192867 553790029 /nfs/dbraw/zinc/79/00/29/553790029.db2.gz WMCFQQWEVPMDBW-JOCHJYFZSA-N 0 0 513.388 3.832 50 0 KHAARN COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000024192868 553789973 /nfs/dbraw/zinc/78/99/73/553789973.db2.gz JMIJUFRPFAQIDO-QHCPKHFHSA-N 0 0 528.989 3.740 50 0 KHAARN COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000024192869 553790049 /nfs/dbraw/zinc/79/00/49/553790049.db2.gz JMIJUFRPFAQIDO-HSZRJFAPSA-N 0 0 528.989 3.740 50 0 KHAARN Nc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1CCN1CCOCC1 ZINC000024204180 553790543 /nfs/dbraw/zinc/79/05/43/553790543.db2.gz CIGBAUHSSFBIBU-UHFFFAOYSA-N 0 0 506.415 3.639 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCCN1CCOCC1 ZINC000024334499 553790550 /nfs/dbraw/zinc/79/05/50/553790550.db2.gz NHVDMSPEFYDPJY-NRFANRHFSA-N 0 0 501.352 3.962 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCCN1CCOCC1 ZINC000024334506 553790575 /nfs/dbraw/zinc/79/05/75/553790575.db2.gz NHVDMSPEFYDPJY-OAQYLSRUSA-N 0 0 501.352 3.962 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccccc2F)N1CCCN1CCOCC1 ZINC000024334511 553790547 /nfs/dbraw/zinc/79/05/47/553790547.db2.gz DZKZBSVFVDDSLG-NRFANRHFSA-N 0 0 501.352 3.962 50 0 KHAARN O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCCN1CCOCC1 ZINC000024334518 553790535 /nfs/dbraw/zinc/79/05/35/553790535.db2.gz DZKZBSVFVDDSLG-OAQYLSRUSA-N 0 0 501.352 3.962 50 0 KHAARN COC(=O)c1ccc(Oc2nc(N3CCCC3)c(Cl)c3c2N(C[C@@H]2CCCO2)CCS3(=O)=O)cc1 ZINC000024615570 553791066 /nfs/dbraw/zinc/79/10/66/553791066.db2.gz UDPYJTIGELSKMJ-SFHVURJKSA-N 0 0 522.023 3.687 50 0 KHAARN COC(=O)c1ccc(Oc2nc(N3CCCC3)c(Cl)c3c2N(C[C@H]2CCCO2)CCS3(=O)=O)cc1 ZINC000024615574 553791043 /nfs/dbraw/zinc/79/10/43/553791043.db2.gz UDPYJTIGELSKMJ-GOSISDBHSA-N 0 0 522.023 3.687 50 0 KHAARN COCCN1CCS(=O)(=O)c2c(F)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(F)c21 ZINC000024615835 553791051 /nfs/dbraw/zinc/79/10/51/553791051.db2.gz MNGDJRCMYXAOCH-UHFFFAOYSA-N 0 0 528.625 3.512 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000024635127 553791087 /nfs/dbraw/zinc/79/10/87/553791087.db2.gz PECQHMGGWNZVQM-UHFFFAOYSA-N 0 0 527.565 3.989 50 0 KHAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000024715635 553791311 /nfs/dbraw/zinc/79/13/11/553791311.db2.gz QQGGYELQPAMSLL-LJQANCHMSA-N 0 0 518.058 3.504 50 0 KHAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000024715638 553791310 /nfs/dbraw/zinc/79/13/10/553791310.db2.gz QQGGYELQPAMSLL-IBGZPJMESA-N 0 0 518.058 3.504 50 0 KHAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c(=O)[nH]c1=O ZINC000024746442 553791655 /nfs/dbraw/zinc/79/16/55/553791655.db2.gz FRJPEFLQWLYPTA-UHFFFAOYSA-N 0 0 501.587 3.736 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000024750444 553791662 /nfs/dbraw/zinc/79/16/62/553791662.db2.gz URCLEESIUMWRTR-UHFFFAOYSA-N 0 0 521.016 3.756 50 0 KHAARN C[C@@H]1CCCCN1C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000024750881 553791531 /nfs/dbraw/zinc/79/15/31/553791531.db2.gz XCNNQVWTNPTOAH-CQSZACIVSA-N 0 0 510.962 3.704 50 0 KHAARN C[C@H]1CCCCN1C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000024750886 553791659 /nfs/dbraw/zinc/79/16/59/553791659.db2.gz XCNNQVWTNPTOAH-AWEZNQCLSA-N 0 0 510.962 3.704 50 0 KHAARN Cc1cc(C)c2c(n1)nc(SCC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCCCC3)c1)[nH]c2=O ZINC000024754730 553791874 /nfs/dbraw/zinc/79/18/74/553791874.db2.gz PPMKBTWUSKIHSJ-UHFFFAOYSA-N 0 0 501.634 3.561 50 0 KHAARN CC(=O)c1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000024756113 553791843 /nfs/dbraw/zinc/79/18/43/553791843.db2.gz WQLMHQHZLKBDGA-UHFFFAOYSA-N 0 0 516.598 3.672 50 0 KHAARN Cc1cc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)ccc1C(C)C ZINC000024764184 553791770 /nfs/dbraw/zinc/79/17/70/553791770.db2.gz ZVCJIUPYYJVZDS-UHFFFAOYSA-N 0 0 501.649 3.757 50 0 KHAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000024764805 553791850 /nfs/dbraw/zinc/79/18/50/553791850.db2.gz XYGRSWOMLDSNHN-UHFFFAOYSA-N 0 0 508.550 3.964 50 0 KHAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000024765582 553792149 /nfs/dbraw/zinc/79/21/49/553792149.db2.gz YHRFDGQGALXANS-UHFFFAOYSA-N 0 0 504.605 3.519 50 0 KHAARN O=C(CCNC(=O)c1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000024766476 553792151 /nfs/dbraw/zinc/79/21/51/553792151.db2.gz FEEFLZVXFZRLRQ-UHFFFAOYSA-N 0 0 508.438 3.772 50 0 KHAARN CC1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000024772895 553792187 /nfs/dbraw/zinc/79/21/87/553792187.db2.gz OOGPQGBQCSZKHF-UHFFFAOYSA-N 0 0 510.962 3.561 50 0 KHAARN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000024831490 553792498 /nfs/dbraw/zinc/79/24/98/553792498.db2.gz SHYXBLWJSGVQAA-UHFFFAOYSA-N 0 0 502.478 3.659 50 0 KHAARN CCOC(=O)C1=C(COC(=O)c2csc(COc3ccc(F)cc3)n2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000024839393 553792474 /nfs/dbraw/zinc/79/24/74/553792474.db2.gz JXRVJGOJEJBFDK-OAQYLSRUSA-N 0 0 515.519 3.791 50 0 KHAARN CCOC(=O)C1=C(COC(=O)c2csc(COc3ccc(F)cc3)n2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000024839399 553792402 /nfs/dbraw/zinc/79/24/02/553792402.db2.gz JXRVJGOJEJBFDK-NRFANRHFSA-N 0 0 515.519 3.791 50 0 KHAARN CCOC(=O)C1=C(COC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000024926822 553792547 /nfs/dbraw/zinc/79/25/47/553792547.db2.gz BDFDYYFDXNDTHG-XMMPIXPASA-N 0 0 508.527 3.658 50 0 KHAARN CCOC(=O)C1=C(COC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000024926827 553792424 /nfs/dbraw/zinc/79/24/24/553792424.db2.gz BDFDYYFDXNDTHG-DEOSSOPVSA-N 0 0 508.527 3.658 50 0 KHAARN CCOC(=O)C1=C(COC(=O)CCc2ncc(-c3c(F)cccc3F)o2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000024927635 553792430 /nfs/dbraw/zinc/79/24/30/553792430.db2.gz CSOSWVTYUAJOBM-HSZRJFAPSA-N 0 0 515.469 3.868 50 0 KHAARN CCOC(=O)C1=C(COC(=O)CCc2ncc(-c3c(F)cccc3F)o2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000024927640 553792436 /nfs/dbraw/zinc/79/24/36/553792436.db2.gz CSOSWVTYUAJOBM-QHCPKHFHSA-N 0 0 515.469 3.868 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(COc3ccccc3Cl)n2C)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000024928142 553792833 /nfs/dbraw/zinc/79/28/33/553792833.db2.gz INKJTTIVQUWSIP-HXUWFJFHSA-N 0 0 517.995 3.912 50 0 KHAARN CCOC(=O)C1=C(CSc2nnc(COc3ccccc3Cl)n2C)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000024928147 553792826 /nfs/dbraw/zinc/79/28/26/553792826.db2.gz INKJTTIVQUWSIP-FQEVSTJZSA-N 0 0 517.995 3.912 50 0 KHAARN CN(c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000025140087 553793166 /nfs/dbraw/zinc/79/31/66/553793166.db2.gz ZMRZUQROGBIKNR-WEVVVXLNSA-N 0 0 511.669 3.810 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cccc1F)n2C[C@@H]1CCCO1)N1CCOCC1 ZINC000025142140 553793452 /nfs/dbraw/zinc/79/34/52/553793452.db2.gz SSKCRBFEEMMNLD-INIZCTEOSA-N 0 0 509.600 3.807 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cccc1F)n2C[C@H]1CCCO1)N1CCOCC1 ZINC000025142142 553793447 /nfs/dbraw/zinc/79/34/47/553793447.db2.gz SSKCRBFEEMMNLD-MRXNPFEDSA-N 0 0 509.600 3.807 50 0 KHAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4ccco4)n3)cc2)CC1 ZINC000025142676 553793703 /nfs/dbraw/zinc/79/37/03/553793703.db2.gz RGFRUCBKBDPNOV-DEOSSOPVSA-N 0 0 517.561 3.527 50 0 KHAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4ccco4)n3)cc2)CC1 ZINC000025142678 553793665 /nfs/dbraw/zinc/79/36/65/553793665.db2.gz RGFRUCBKBDPNOV-XMMPIXPASA-N 0 0 517.561 3.527 50 0 KHAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000025142841 553793584 /nfs/dbraw/zinc/79/35/84/553793584.db2.gz YNPVXMIMSWUOPY-UHFFFAOYSA-N 0 0 508.522 3.726 50 0 KHAARN CCOc1ccc(-c2ccnc(N3CCN(S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc1 ZINC000025142995 553793895 /nfs/dbraw/zinc/79/38/95/553793895.db2.gz LOVYXNYFTKGQMP-UHFFFAOYSA-N 0 0 514.476 3.749 50 0 KHAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)NCc4ccco4)cn3)c2)cc1OC ZINC000025143824 553794266 /nfs/dbraw/zinc/79/42/66/553794266.db2.gz YFZPJBQEXDTBLS-UHFFFAOYSA-N 0 0 500.555 3.999 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nccc(OC)c1OC)n2C[C@@H]1CCCO1 ZINC000025144619 553794456 /nfs/dbraw/zinc/79/44/56/553794456.db2.gz UTTYNQQRVMUVBI-KRWDZBQOSA-N 0 0 520.677 3.950 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nccc(OC)c1OC)n2C[C@H]1CCCO1 ZINC000025144622 553794468 /nfs/dbraw/zinc/79/44/68/553794468.db2.gz UTTYNQQRVMUVBI-QGZVFWFLSA-N 0 0 520.677 3.950 50 0 KHAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4ccco4)n3)c2)CC1 ZINC000025145007 553794801 /nfs/dbraw/zinc/79/48/01/553794801.db2.gz UESHZKYYOMOSMC-DEOSSOPVSA-N 0 0 517.561 3.527 50 0 KHAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4ccco4)n3)c2)CC1 ZINC000025145010 553794673 /nfs/dbraw/zinc/79/46/73/553794673.db2.gz UESHZKYYOMOSMC-XMMPIXPASA-N 0 0 517.561 3.527 50 0 KHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000025145097 553794731 /nfs/dbraw/zinc/79/47/31/553794731.db2.gz VEGGFHPDDYRQSK-UHFFFAOYSA-N 0 0 522.549 3.953 50 0 KHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000025146705 553795384 /nfs/dbraw/zinc/79/53/84/553795384.db2.gz WNIAZWVFDZOYPN-UHFFFAOYSA-N 0 0 522.549 3.953 50 0 KHAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000025146735 553795369 /nfs/dbraw/zinc/79/53/69/553795369.db2.gz FGXXOLIUGONSMB-MHZLTWQESA-N 0 0 527.600 3.934 50 0 KHAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2ccc(-c3noc(-c4ccccc4)n3)cc2)CC1 ZINC000025146738 553795409 /nfs/dbraw/zinc/79/54/09/553795409.db2.gz FGXXOLIUGONSMB-HHHXNRCGSA-N 0 0 527.600 3.934 50 0 KHAARN COc1ccc(CCN(C)C(=O)c2cccc(-c3ncc(C(=O)NCc4ccccn4)cn3)c2)cc1OC ZINC000025148312 553795960 /nfs/dbraw/zinc/79/59/60/553795960.db2.gz ONUSIPMCSQQYQS-UHFFFAOYSA-N 0 0 511.582 3.801 50 0 KHAARN CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4ccccc4)n3)c2)CC1 ZINC000025148945 553795988 /nfs/dbraw/zinc/79/59/88/553795988.db2.gz PGTXFOXXVGGDQC-MHZLTWQESA-N 0 0 527.600 3.934 50 0 KHAARN CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCN(Cc2cccc(-c3noc(-c4ccccc4)n3)c2)CC1 ZINC000025148948 553795954 /nfs/dbraw/zinc/79/59/54/553795954.db2.gz PGTXFOXXVGGDQC-HHHXNRCGSA-N 0 0 527.600 3.934 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)COc4ccccc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025150241 553796069 /nfs/dbraw/zinc/79/60/69/553796069.db2.gz MPFHXVKEAYQSNF-UHFFFAOYSA-N 0 0 511.582 3.839 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151016 553796456 /nfs/dbraw/zinc/79/64/56/553796456.db2.gz QLVFQBZTOWAYCL-UHFFFAOYSA-N 0 0 525.609 3.976 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4c(C)noc4C)CC3)cc2)n(-c2ccccn2)n1 ZINC000025151450 553796677 /nfs/dbraw/zinc/79/66/77/553796677.db2.gz ZSULUESGYUOHNQ-UHFFFAOYSA-N 0 0 500.559 3.678 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(C)nn4C)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000025154101 553797663 /nfs/dbraw/zinc/79/76/63/553797663.db2.gz KHFUBWJTYGQIOT-UHFFFAOYSA-N 0 0 516.577 3.859 50 0 KHAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1nc2ccccc2[nH]1 ZINC000025154124 553797714 /nfs/dbraw/zinc/79/77/14/553797714.db2.gz XWUWDQLVXVWLNJ-UHFFFAOYSA-N 0 0 515.661 3.652 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(C(=O)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000025154583 553798258 /nfs/dbraw/zinc/79/82/58/553798258.db2.gz CVYPZZGPHLRYPF-UHFFFAOYSA-N 0 0 503.563 3.561 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)N2CCCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1 ZINC000025155089 553798262 /nfs/dbraw/zinc/79/82/62/553798262.db2.gz AIPBXSZXBJBJPH-UHFFFAOYSA-N 0 0 515.574 3.721 50 0 KHAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4nccc(-c5ccc(N6CCOCC6)cc5)n4n3)CC2)cc1 ZINC000025155327 553798529 /nfs/dbraw/zinc/79/85/29/553798529.db2.gz ZIDQCWDDGAUAIR-UHFFFAOYSA-N 0 0 525.657 3.888 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)c1 ZINC000025155831 553798798 /nfs/dbraw/zinc/79/87/98/553798798.db2.gz VFDLASPGCRHEHD-UHFFFAOYSA-N 0 0 512.492 3.790 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)N2CCCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)c1 ZINC000025156125 553798764 /nfs/dbraw/zinc/79/87/64/553798764.db2.gz HFCJCLOWSHRGBQ-UHFFFAOYSA-N 0 0 515.574 3.721 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(C)nn4C)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000025156487 553798979 /nfs/dbraw/zinc/79/89/79/553798979.db2.gz KVCGAMCNAIHCPJ-UHFFFAOYSA-N 0 0 528.613 3.729 50 0 KHAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc1 ZINC000025156570 553798961 /nfs/dbraw/zinc/79/89/61/553798961.db2.gz DSEFWGOOZPJKTA-UHFFFAOYSA-N 0 0 504.660 3.877 50 0 KHAARN COc1cccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5ccc(C(C)(C)C)cc5)n4n3)CC2)c1 ZINC000025156878 553799344 /nfs/dbraw/zinc/79/93/44/553799344.db2.gz RSWNEPYGMIFLOX-UHFFFAOYSA-N 0 0 506.632 3.608 50 0 KHAARN O=C(c1ccc(C(F)(F)F)cc1F)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1 ZINC000025157004 553799300 /nfs/dbraw/zinc/79/93/00/553799300.db2.gz DYNDSGHGGVBNEE-UHFFFAOYSA-N 0 0 514.439 3.640 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)cc1 ZINC000025157037 553799324 /nfs/dbraw/zinc/79/93/24/553799324.db2.gz XSMGSQWUVCPGER-UHFFFAOYSA-N 0 0 503.415 3.917 50 0 KHAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000025157086 553799297 /nfs/dbraw/zinc/79/92/97/553799297.db2.gz URCKSHFRNBFPFC-UHFFFAOYSA-N 0 0 507.378 3.748 50 0 KHAARN Cc1cccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)c1 ZINC000025157274 553799662 /nfs/dbraw/zinc/79/96/62/553799662.db2.gz CSULLVIYRKXTSP-UHFFFAOYSA-N 0 0 503.415 3.917 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)cc1 ZINC000025157393 553799789 /nfs/dbraw/zinc/79/97/89/553799789.db2.gz CIUGCFDMURAEJY-UHFFFAOYSA-N 0 0 502.522 3.629 50 0 KHAARN O=S(=O)(c1ccccc1F)N1CCN(c2nc3nccc(-c4ccc(Cl)c(Cl)c4)n3n2)CC1 ZINC000025157536 553799747 /nfs/dbraw/zinc/79/97/47/553799747.db2.gz BFZODUGALUVPEX-UHFFFAOYSA-N 0 0 507.378 3.748 50 0 KHAARN Cc1cccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)c1 ZINC000025157634 553799963 /nfs/dbraw/zinc/79/99/63/553799963.db2.gz CCLNAGOVBXOLIE-UHFFFAOYSA-N 0 0 502.522 3.629 50 0 KHAARN Cc1ccccc1S(=O)(=O)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025157639 553799893 /nfs/dbraw/zinc/79/98/93/553799893.db2.gz DVVKYKVUOJBZGK-UHFFFAOYSA-N 0 0 503.415 3.917 50 0 KHAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025157832 553800421 /nfs/dbraw/zinc/80/04/21/553800421.db2.gz VOEMVFYSXCBQJI-UHFFFAOYSA-N 0 0 507.378 3.748 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cc(C)nn4C)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000025157886 553800272 /nfs/dbraw/zinc/80/02/72/553800272.db2.gz HGEHVTJZQYBBAM-UHFFFAOYSA-N 0 0 528.613 3.729 50 0 KHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2cnc3c(c(C)nn3C)c2Cl)CC1 ZINC000025158142 553800261 /nfs/dbraw/zinc/80/02/61/553800261.db2.gz HXNJDZNQDHUUPW-UHFFFAOYSA-N 0 0 522.009 3.629 50 0 KHAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025158205 553800294 /nfs/dbraw/zinc/80/02/94/553800294.db2.gz FWQDXMPCJNQXRH-UHFFFAOYSA-N 0 0 507.378 3.748 50 0 KHAARN O=C(c1ccc(F)cc1C(F)(F)F)N1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)CC1 ZINC000025158248 553800540 /nfs/dbraw/zinc/80/05/40/553800540.db2.gz HCHXJAMZGDFGGJ-UHFFFAOYSA-N 0 0 514.439 3.640 50 0 KHAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1 ZINC000025158353 553800496 /nfs/dbraw/zinc/80/04/96/553800496.db2.gz PKRTYAYEBXALDX-UHFFFAOYSA-N 0 0 506.632 3.653 50 0 KHAARN O=S(=O)(c1ccccc1F)N1CCN(c2nc3nccc(-c4cc(Cl)ccc4Cl)n3n2)CC1 ZINC000025158530 553800560 /nfs/dbraw/zinc/80/05/60/553800560.db2.gz YJSSTCAEBXQCHV-UHFFFAOYSA-N 0 0 507.378 3.748 50 0 KHAARN CC(C)(C)c1ccc(-c2ccnc3nc(N4CCN(S(=O)(=O)c5ccc(F)cc5F)CC4)nn32)cc1 ZINC000025158601 553800465 /nfs/dbraw/zinc/80/04/65/553800465.db2.gz PGBRQGJYRLYIDO-UHFFFAOYSA-N 0 0 512.586 3.878 50 0 KHAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)cc1 ZINC000025158923 553800864 /nfs/dbraw/zinc/80/08/64/553800864.db2.gz GGSWWXLISBBVQM-UHFFFAOYSA-N 0 0 520.659 3.713 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN(c3c(-c4ccccc4)cnc4ncnn43)CC2)c(Cl)cc1Cl ZINC000025159068 553801009 /nfs/dbraw/zinc/80/10/09/553801009.db2.gz RTCCZIGPBBDWII-UHFFFAOYSA-N 0 0 503.415 3.917 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)cc1 ZINC000025159411 553801001 /nfs/dbraw/zinc/80/10/01/553801001.db2.gz RVBVKKXPMLUDRU-UHFFFAOYSA-N 0 0 516.549 3.883 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)cc1 ZINC000025159594 553801335 /nfs/dbraw/zinc/80/13/35/553801335.db2.gz QUKINVUJUXUENK-UHFFFAOYSA-N 0 0 519.414 3.618 50 0 KHAARN CCCc1ccc(S(=O)(=O)N2CCCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1 ZINC000025159633 553801338 /nfs/dbraw/zinc/80/13/38/553801338.db2.gz BTVLYECPPFKXCQ-UHFFFAOYSA-N 0 0 506.632 3.653 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c(C)cc1Cl ZINC000025159699 553801359 /nfs/dbraw/zinc/80/13/59/553801359.db2.gz OPWJMPQHEOGFLR-UHFFFAOYSA-N 0 0 511.051 3.805 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1Cc1ccccc1 ZINC000025159856 553801562 /nfs/dbraw/zinc/80/15/62/553801562.db2.gz ZFQQKNDETHSLMT-UHFFFAOYSA-N 0 0 516.549 3.553 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1Cc1ccccc1 ZINC000025159913 553801541 /nfs/dbraw/zinc/80/15/41/553801541.db2.gz OXHHOULYQKBOHW-UHFFFAOYSA-N 0 0 517.442 3.841 50 0 KHAARN COc1cccc(S(=O)(=O)N2CCN(c3nc4nccc(-c5cc(Cl)ccc5Cl)n4n3)CC2)c1 ZINC000025159969 553801532 /nfs/dbraw/zinc/80/15/32/553801532.db2.gz WZHAWLRNQZQZAD-UHFFFAOYSA-N 0 0 519.414 3.618 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 ZINC000025160004 553801806 /nfs/dbraw/zinc/80/18/06/553801806.db2.gz WNZXYASCCXMNBN-UHFFFAOYSA-N 0 0 506.632 3.824 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)c1Cc1ccccc1 ZINC000025160049 553801831 /nfs/dbraw/zinc/80/18/31/553801831.db2.gz MMKVVNLINAYKBN-UHFFFAOYSA-N 0 0 517.442 3.841 50 0 KHAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)c1C ZINC000025160114 553801834 /nfs/dbraw/zinc/80/18/34/553801834.db2.gz XPZALJFVHSMQTJ-UHFFFAOYSA-N 0 0 504.660 3.768 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1OC ZINC000025160189 553801816 /nfs/dbraw/zinc/80/18/16/553801816.db2.gz RTSDILXKYOSXTM-UHFFFAOYSA-N 0 0 512.492 3.578 50 0 KHAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc4nccc(-c5cccc(C(F)(F)F)c5)n4n3)CC2)c1 ZINC000025160281 553802108 /nfs/dbraw/zinc/80/21/08/553802108.db2.gz ALFQDFIVFWUHQB-UHFFFAOYSA-N 0 0 516.549 3.938 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1Cc1ccccc1 ZINC000025160336 553802131 /nfs/dbraw/zinc/80/21/31/553802131.db2.gz SAMVJBZYCPVQFR-UHFFFAOYSA-N 0 0 517.442 3.841 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1Cc1ccccc1 ZINC000025160495 553802077 /nfs/dbraw/zinc/80/20/77/553802077.db2.gz LDBGOFQWYAKQRC-UHFFFAOYSA-N 0 0 516.549 3.553 50 0 KHAARN CCC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)cc4)cnc4ncnn43)CC2)cc1 ZINC000025160747 553802305 /nfs/dbraw/zinc/80/23/05/553802305.db2.gz ATUVRKFOWLTPEN-UHFFFAOYSA-N 0 0 520.659 3.998 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 ZINC000025160750 553802300 /nfs/dbraw/zinc/80/23/00/553802300.db2.gz XHSILLJPOXOTGZ-UHFFFAOYSA-N 0 0 513.023 3.581 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000025160904 553802330 /nfs/dbraw/zinc/80/23/30/553802330.db2.gz NBCDOMDVQSMNFH-UHFFFAOYSA-N 0 0 513.023 3.663 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000025160908 553802291 /nfs/dbraw/zinc/80/22/91/553802291.db2.gz IQWJJVNQXQSIQM-UHFFFAOYSA-N 0 0 519.414 3.618 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000025160967 553802347 /nfs/dbraw/zinc/80/23/47/553802347.db2.gz USCIMOXJDHJJOC-UHFFFAOYSA-N 0 0 519.414 3.618 50 0 KHAARN Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1Cc1ccccc1 ZINC000025161071 553802652 /nfs/dbraw/zinc/80/26/52/553802652.db2.gz YFKUGFDTNNCMNY-UHFFFAOYSA-N 0 0 516.549 3.553 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cc1 ZINC000025161110 553802647 /nfs/dbraw/zinc/80/26/47/553802647.db2.gz CEQXXYARYZIEBI-UHFFFAOYSA-N 0 0 513.023 3.663 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000025161144 553802686 /nfs/dbraw/zinc/80/26/86/553802686.db2.gz UQVDPBBQHGNHNB-UHFFFAOYSA-N 0 0 519.414 3.618 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 ZINC000025161950 553802842 /nfs/dbraw/zinc/80/28/42/553802842.db2.gz YUVJNCOXAYYWAX-UHFFFAOYSA-N 0 0 527.050 3.971 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000025162085 553803142 /nfs/dbraw/zinc/80/31/42/553803142.db2.gz PHQJBSZKIYBZNG-UHFFFAOYSA-N 0 0 520.659 3.935 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc5nonc5c4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025162985 553803496 /nfs/dbraw/zinc/80/34/96/553803496.db2.gz QABWRQNJRANJMG-UHFFFAOYSA-N 0 0 523.553 3.610 50 0 KHAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000025184557 553805830 /nfs/dbraw/zinc/80/58/30/553805830.db2.gz XZHKFTRNROCOPK-RDGATRHJSA-N 0 0 503.404 3.900 50 0 KHAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@@H]12 ZINC000025184564 553805856 /nfs/dbraw/zinc/80/58/56/553805856.db2.gz XZHKFTRNROCOPK-RCZVLFRGSA-N 0 0 503.404 3.900 50 0 KHAARN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1ccc(Br)cc1 ZINC000025228489 553806076 /nfs/dbraw/zinc/80/60/76/553806076.db2.gz YHDWYOVLXZYLFT-UHFFFAOYSA-N 0 0 517.449 3.612 50 0 KHAARN Cc1c(Cl)cn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1Cl ZINC000025266275 553806085 /nfs/dbraw/zinc/80/60/85/553806085.db2.gz MCAOJRUZVGDQCS-UHFFFAOYSA-N 0 0 517.438 3.969 50 0 KHAARN CCOC(=O)c1c2nc3ccccc3nc2n(CCCN2CCOCC2)c1NC(=O)c1ccccc1F ZINC000025326644 553806427 /nfs/dbraw/zinc/80/64/27/553806427.db2.gz QTEAXNSNNSQEPH-UHFFFAOYSA-N 0 0 505.550 3.875 50 0 KHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000025330385 553806415 /nfs/dbraw/zinc/80/64/15/553806415.db2.gz MVPZYEYAZZIZIZ-HXUWFJFHSA-N 0 0 519.623 3.513 50 0 KHAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000025330387 553806472 /nfs/dbraw/zinc/80/64/72/553806472.db2.gz MVPZYEYAZZIZIZ-FQEVSTJZSA-N 0 0 519.623 3.513 50 0 KHAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCCN3CCN(S(=O)(=O)c4cccs4)CC3)cc12 ZINC000025336247 553806431 /nfs/dbraw/zinc/80/64/31/553806431.db2.gz MMZDUSSPXGPZHD-UHFFFAOYSA-N 0 0 516.670 3.620 50 0 KHAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)N1CCCN1CCOCC1 ZINC000025356196 553806723 /nfs/dbraw/zinc/80/67/23/553806723.db2.gz YJYKGXOZCVJEAT-MHZLTWQESA-N 0 0 506.628 3.607 50 0 KHAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)N1CCCN1CCOCC1 ZINC000025356201 553806766 /nfs/dbraw/zinc/80/67/66/553806766.db2.gz YJYKGXOZCVJEAT-HHHXNRCGSA-N 0 0 506.628 3.607 50 0 KHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000025357452 553806720 /nfs/dbraw/zinc/80/67/20/553806720.db2.gz VMBBOBHSUOLEED-UHFFFAOYSA-N 0 0 513.374 3.677 50 0 KHAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2n1 ZINC000025357575 553806782 /nfs/dbraw/zinc/80/67/82/553806782.db2.gz YHMMSNZZRLOSHA-UHFFFAOYSA-N 0 0 510.399 3.888 50 0 KHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000025389486 553807024 /nfs/dbraw/zinc/80/70/24/553807024.db2.gz BIJKXRLXTMNXLL-UHFFFAOYSA-N 0 0 528.627 3.834 50 0 KHAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)Nc1ccc(Br)cc1Br ZINC000025390073 553806959 /nfs/dbraw/zinc/80/69/59/553806959.db2.gz VONRBXLWIUBHGF-HXUWFJFHSA-N 0 0 507.182 3.630 50 0 KHAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)Nc1ccc(Br)cc1Br ZINC000025390078 553807005 /nfs/dbraw/zinc/80/70/05/553807005.db2.gz VONRBXLWIUBHGF-FQEVSTJZSA-N 0 0 507.182 3.630 50 0 KHAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccc(I)c1 ZINC000025390160 553807029 /nfs/dbraw/zinc/80/70/29/553807029.db2.gz OUZBDIBHOHNZIJ-UHFFFAOYSA-N 0 0 511.319 3.725 50 0 KHAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(I)cc1 ZINC000025390207 553806950 /nfs/dbraw/zinc/80/69/50/553806950.db2.gz WWDHIVWWAMWHHF-UHFFFAOYSA-N 0 0 511.319 3.725 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000025392162 553807545 /nfs/dbraw/zinc/80/75/45/553807545.db2.gz UCWZFMGYNPMOKQ-UHFFFAOYSA-N 0 0 524.639 3.851 50 0 KHAARN COCCn1c(C)cc(C(=O)COC(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)c1C ZINC000025393807 553807864 /nfs/dbraw/zinc/80/78/64/553807864.db2.gz BYXMCTDIWDMRFJ-UHFFFAOYSA-N 0 0 524.570 3.826 50 0 KHAARN COc1ccccc1CNC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccccc1OC ZINC000025394155 553807881 /nfs/dbraw/zinc/80/78/81/553807881.db2.gz RVUCBHMXRVWAAV-UHFFFAOYSA-N 0 0 508.596 3.586 50 0 KHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc2N2CCOCC2)cc1 ZINC000025395394 553807890 /nfs/dbraw/zinc/80/78/90/553807890.db2.gz VWNSOUQGTSFXLR-UHFFFAOYSA-N 0 0 526.615 3.732 50 0 KHAARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000025395437 553807861 /nfs/dbraw/zinc/80/78/61/553807861.db2.gz FAQFQDOEKNDROA-QGZVFWFLSA-N 0 0 513.399 3.798 50 0 KHAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000025395443 553807839 /nfs/dbraw/zinc/80/78/39/553807839.db2.gz FAQFQDOEKNDROA-KRWDZBQOSA-N 0 0 513.399 3.798 50 0 KHAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000025397090 553808424 /nfs/dbraw/zinc/80/84/24/553808424.db2.gz MVQYKRUTCGNIGH-UHFFFAOYSA-N 0 0 527.599 3.841 50 0 KHAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(=O)NC[C@@H]1CCCO1 ZINC000025397619 553808411 /nfs/dbraw/zinc/80/84/11/553808411.db2.gz FRQDRJVGBKIXPP-CJNGLKHVSA-N 0 0 501.388 3.635 50 0 KHAARN C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(=O)NC[C@@H]1CCCO1 ZINC000025397625 553808435 /nfs/dbraw/zinc/80/84/35/553808435.db2.gz FRQDRJVGBKIXPP-BBRMVZONSA-N 0 0 501.388 3.635 50 0 KHAARN C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(=O)NC[C@H]1CCCO1 ZINC000025397631 553808391 /nfs/dbraw/zinc/80/83/91/553808391.db2.gz FRQDRJVGBKIXPP-CZUORRHYSA-N 0 0 501.388 3.635 50 0 KHAARN C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl)C(=O)NC[C@H]1CCCO1 ZINC000025397637 553808426 /nfs/dbraw/zinc/80/84/26/553808426.db2.gz FRQDRJVGBKIXPP-XJKSGUPXSA-N 0 0 501.388 3.635 50 0 KHAARN CC(C)CN(CC(C)C)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000025397880 553808430 /nfs/dbraw/zinc/80/84/30/553808430.db2.gz HSTQPFWZHLOWEC-UHFFFAOYSA-N 0 0 533.666 3.634 50 0 KHAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)n1C[C@@H]1CCCO1 ZINC000025423272 553808906 /nfs/dbraw/zinc/80/89/06/553808906.db2.gz FVVBFJBAZWCFIJ-QHCPKHFHSA-N 0 0 510.612 3.802 50 0 KHAARN Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)n1C[C@H]1CCCO1 ZINC000025423277 553808954 /nfs/dbraw/zinc/80/89/54/553808954.db2.gz FVVBFJBAZWCFIJ-HSZRJFAPSA-N 0 0 510.612 3.802 50 0 KHAARN CSCC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1C(=O)c2ccccc2C1=O ZINC000025423381 553808955 /nfs/dbraw/zinc/80/89/55/553808955.db2.gz NEAAAWMWEUCVHC-QFIPXVFZSA-N 0 0 515.657 3.608 50 0 KHAARN CSCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1C(=O)c2ccccc2C1=O ZINC000025423387 553808947 /nfs/dbraw/zinc/80/89/47/553808947.db2.gz NEAAAWMWEUCVHC-JOCHJYFZSA-N 0 0 515.657 3.608 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000025424030 553808920 /nfs/dbraw/zinc/80/89/20/553808920.db2.gz UHPDMCNOSXOUSI-UHFFFAOYSA-N 0 0 522.602 3.919 50 0 KHAARN C[C@@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)N(C)C)c3)n(-c3ccc(F)cc3)c2=S)C[C@@H](C)O1 ZINC000025435841 553809201 /nfs/dbraw/zinc/80/92/01/553809201.db2.gz KUXIOTMBJNZMSO-IAGOWNOFSA-N 0 0 505.641 3.526 50 0 KHAARN C[C@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)N(C)C)c3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000025435847 553809209 /nfs/dbraw/zinc/80/92/09/553809209.db2.gz KUXIOTMBJNZMSO-IRXDYDNUSA-N 0 0 505.641 3.526 50 0 KHAARN CCCCCC(=O)C=c1[nH]c2nnc(CCCCc3nnc4[nH]c(=CC(=O)CCCCC)c(=O)n34)n2c1=O ZINC000025573387 553810365 /nfs/dbraw/zinc/81/03/65/553810365.db2.gz QOCOKVDSSOKSHL-UHFFFAOYSA-N 0 0 522.610 3.967 50 0 KHAARN COc1cc(C)c(CC(=O)NCCCCCCNC(=O)Cc2cc(OC)c(OC)cc2C)cc1OC ZINC000025692343 553812531 /nfs/dbraw/zinc/81/25/31/553812531.db2.gz WFRLZWJPAYRCEY-UHFFFAOYSA-N 0 0 500.636 3.916 50 0 KHAARN COC(=O)c1ccc(Oc2cc(C(=O)OC)cc(C(=O)OC)c2)c(NC(=O)CC(=O)c2ccc(N)cc2)c1 ZINC000025694164 553812766 /nfs/dbraw/zinc/81/27/66/553812766.db2.gz HQFQGMKZOWYVJN-UHFFFAOYSA-N 0 0 520.494 3.632 50 0 KHAARN Cc1cccc(C)c1OC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000025702242 553812928 /nfs/dbraw/zinc/81/29/28/553812928.db2.gz IFNAGGBQKGXCPA-SFHVURJKSA-N 0 0 506.974 3.722 50 0 KHAARN Cc1cccc(C)c1OC[C@H](O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000025702247 553812922 /nfs/dbraw/zinc/81/29/22/553812922.db2.gz IFNAGGBQKGXCPA-GOSISDBHSA-N 0 0 506.974 3.722 50 0 KHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000025721134 553813044 /nfs/dbraw/zinc/81/30/44/553813044.db2.gz FVNCOCAQYKQWOM-HHHXNRCGSA-N 0 0 511.502 3.590 50 0 KHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000025721141 553813063 /nfs/dbraw/zinc/81/30/63/553813063.db2.gz FVNCOCAQYKQWOM-MHZLTWQESA-N 0 0 511.502 3.590 50 0 KHAARN O=C(C=Cc1ccc(OC(F)F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000025748252 1066488651 /nfs/dbraw/zinc/48/86/51/1066488651.db2.gz SWZZIVLFWZUGPP-JXMROGBWSA-N 0 0 500.571 3.822 50 0 KHAARN CC1(C)C(=O)CCC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)CCC1=O ZINC000025757060 571360676 /nfs/dbraw/zinc/36/06/76/571360676.db2.gz GRHMHYHGQHYGMZ-UHFFFAOYSA-N 0 0 504.620 3.778 50 0 KHAARN O=c1[nH]c(CN2CCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)nc2sc3c(c21)CCCC3 ZINC000025764303 553813305 /nfs/dbraw/zinc/81/33/05/553813305.db2.gz APRBYQXNLJUOEK-UHFFFAOYSA-N 0 0 505.616 3.979 50 0 KHAARN CCOC(=O)c1c(C)n(CCn2c(C)c(C(=O)OCC)c(C(=O)OCC)c2C)c(C)c1C(=O)OCC ZINC000025781831 553813610 /nfs/dbraw/zinc/81/36/10/553813610.db2.gz LPSVSMWQRIEQQY-UHFFFAOYSA-N 0 0 504.580 3.930 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026687482 553820320 /nfs/dbraw/zinc/82/03/20/553820320.db2.gz UTVNFCOMKFSHRF-IGSWSUAKSA-N 0 0 506.624 3.723 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(C)cc2)cc1 ZINC000026688738 553820627 /nfs/dbraw/zinc/82/06/27/553820627.db2.gz UIHLBFVSJZOHNP-DEOSSOPVSA-N 0 0 501.539 3.933 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(C)cc2)cc1 ZINC000026688743 553820531 /nfs/dbraw/zinc/82/05/31/553820531.db2.gz UIHLBFVSJZOHNP-XMMPIXPASA-N 0 0 501.539 3.933 50 0 KHAARN Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000026771679 553820913 /nfs/dbraw/zinc/82/09/13/553820913.db2.gz MPOGODMHFJOQGK-DQEYMECFSA-N 0 0 544.737 3.930 50 0 biogenic KHAARN Cc1ccc(Cc2nn3c(=O)/c(=C/c4cn(-c5ccccc5)nc4-c4ccccc4)sc3nc2=O)cc1 ZINC000026779465 553820970 /nfs/dbraw/zinc/82/09/70/553820970.db2.gz QIRHDBQNKYJQQO-UQQQWYQISA-N 0 0 503.587 3.811 50 0 KHAARN Cc1ccc(C(=O)N[C@@H](NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(Cl)(Cl)Cl)cc1 ZINC000026841560 553821603 /nfs/dbraw/zinc/82/16/03/553821603.db2.gz FHNNLNVJOSXFHS-NBQZKYEYSA-N 0 0 513.878 3.577 50 0 biogenic KHAARN Cc1ccc(C(=O)N[C@H](NC(=S)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C(Cl)(Cl)Cl)cc1 ZINC000026841565 553821692 /nfs/dbraw/zinc/82/16/92/553821692.db2.gz FHNNLNVJOSXFHS-YYFZDKIDSA-N 0 0 513.878 3.577 50 0 biogenic KHAARN O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc(=O)c(Cc3ccccc3)nn12 ZINC000026963733 553822262 /nfs/dbraw/zinc/82/22/62/553822262.db2.gz FXKPEPYEYVAEJI-JLPGSUDCSA-N 0 0 507.550 3.642 50 0 KHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)COc2ccc(Cl)cc2)c(OC)c1 ZINC000026964929 553822660 /nfs/dbraw/zinc/82/26/60/553822660.db2.gz NJESBWPMYDEXJZ-UHFFFAOYSA-N 0 0 515.946 3.914 50 0 KHAARN CCOc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000027016232 553823166 /nfs/dbraw/zinc/82/31/66/553823166.db2.gz FWSXDFLKPBLSFI-QHCPKHFHSA-N 0 0 507.568 3.833 50 0 KHAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000027016236 553823126 /nfs/dbraw/zinc/82/31/26/553823126.db2.gz FWSXDFLKPBLSFI-HSZRJFAPSA-N 0 0 507.568 3.833 50 0 KHAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1)N1CCCC1 ZINC000027020354 553823957 /nfs/dbraw/zinc/82/39/57/553823957.db2.gz FSNNFFCYMNFKHX-RQZHXJHFSA-N 0 0 512.701 3.956 50 0 KHAARN O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1)N1CCCCC1 ZINC000027020447 553824005 /nfs/dbraw/zinc/82/40/05/553824005.db2.gz CJBKQIUBFKPTHM-RQZHXJHFSA-N 0 0 512.701 3.956 50 0 KHAARN CCCCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(OC)cc4)nn3c2=O)cc1OC ZINC000027021420 553824028 /nfs/dbraw/zinc/82/40/28/553824028.db2.gz HJISCQJTUFRLPD-JJIBRWJFSA-N 0 0 507.612 3.626 50 0 KHAARN COc1cc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000027022139 553824340 /nfs/dbraw/zinc/82/43/40/553824340.db2.gz XKZVVHCVLUNPCD-LZYRAVMASA-N 0 0 504.387 3.627 50 0 KHAARN COCCNC(=O)/C(=C\c1ccc(OCCOc2ccccc2OC)cc1)NC(=O)c1ccc(C)cc1 ZINC000027023272 553824352 /nfs/dbraw/zinc/82/43/52/553824352.db2.gz NIPHJIGLFAUKLQ-LKUDQCMESA-N 0 0 504.583 3.995 50 0 KHAARN O=C(NCc1cccnc1)C(=Cc1cn(-c2ccccc2)nc1-c1ccco1)C(=O)NCc1cccnc1 ZINC000027023823 553824354 /nfs/dbraw/zinc/82/43/54/553824354.db2.gz KLHBBBSHCLYNTF-UHFFFAOYSA-N 0 0 504.550 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000027025005 553824562 /nfs/dbraw/zinc/82/45/62/553824562.db2.gz KKEHCKGDQSJITJ-KFKHIXTESA-N 0 0 502.592 3.623 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000027025010 553824548 /nfs/dbraw/zinc/82/45/48/553824548.db2.gz KKEHCKGDQSJITJ-DKKRCLKQSA-N 0 0 502.592 3.623 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000027025015 553824622 /nfs/dbraw/zinc/82/46/22/553824622.db2.gz KKEHCKGDQSJITJ-WUURPXJVSA-N 0 0 502.592 3.623 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000027025021 553824573 /nfs/dbraw/zinc/82/45/73/553824573.db2.gz KKEHCKGDQSJITJ-FMWCGOQISA-N 0 0 502.592 3.623 50 0 KHAARN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027081586 553825335 /nfs/dbraw/zinc/82/53/35/553825335.db2.gz UBUFVRJUGFJQSI-PPJSLLJVSA-N 0 0 653.824 3.613 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 ZINC000027528280 553831351 /nfs/dbraw/zinc/83/13/51/553831351.db2.gz UJFCPTVYJBOINN-UHFFFAOYSA-N 0 0 520.658 3.750 50 0 KHAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 ZINC000027528290 553831285 /nfs/dbraw/zinc/83/12/85/553831285.db2.gz NNADSWVXPNQHAO-UHFFFAOYSA-N 0 0 502.643 3.730 50 0 KHAARN COC(=O)c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccc(Br)o2)cc1 ZINC000027528353 553831356 /nfs/dbraw/zinc/83/13/56/553831356.db2.gz OYLHUKBFFCLMRT-MHWRWJLKSA-N 0 0 513.300 3.967 50 0 KHAARN COC(=O)c1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccc(Br)o2)c1 ZINC000027528355 553831368 /nfs/dbraw/zinc/83/13/68/553831368.db2.gz VTZCCXGJAZBSQS-CXUHLZMHSA-N 0 0 513.300 3.967 50 0 KHAARN COc1cc(CNn2c(=O)c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000027531422 553831981 /nfs/dbraw/zinc/83/19/81/553831981.db2.gz MGBNSVJBMXLKAA-UHFFFAOYSA-N 0 0 507.543 3.859 50 0 KHAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12 ZINC000027534493 553832633 /nfs/dbraw/zinc/83/26/33/553832633.db2.gz DTMQNDGWKHQGLW-UHFFFAOYSA-N 0 0 513.671 3.679 50 0 KHAARN COc1ccccc1N1CCN(C(=O)c2cnc(N3CCN(c4ccccn4)CC3)c3ccccc23)CC1 ZINC000027534620 553832642 /nfs/dbraw/zinc/83/26/42/553832642.db2.gz OSKXATHXXDIVNM-UHFFFAOYSA-N 0 0 508.626 3.927 50 0 KHAARN COc1ccccc1N1CCN(c2ncc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc32)CC1 ZINC000027534676 553832607 /nfs/dbraw/zinc/83/26/07/553832607.db2.gz VZABSBDOSLCGDK-UHFFFAOYSA-N 0 0 508.626 3.927 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000027548304 553833210 /nfs/dbraw/zinc/83/32/10/553833210.db2.gz ORXRACXOJPKMOT-DLBLZJNESA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000027548306 553833245 /nfs/dbraw/zinc/83/32/45/553833245.db2.gz ORXRACXOJPKMOT-FCKOQQNDSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000027548309 553833197 /nfs/dbraw/zinc/83/31/97/553833197.db2.gz HCPTVDCVXXFYHP-QKSFETHESA-N 0 0 506.624 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000027548313 553833267 /nfs/dbraw/zinc/83/32/67/553833267.db2.gz HCPTVDCVXXFYHP-ZDQFFALBSA-N 0 0 506.624 3.984 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(NC(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000027548322 553833203 /nfs/dbraw/zinc/83/32/03/553833203.db2.gz KCJFUAJGKWXACE-XSZPGNIMSA-N 0 0 519.623 3.544 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(NC(C)=O)cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000027548326 553833231 /nfs/dbraw/zinc/83/32/31/553833231.db2.gz KCJFUAJGKWXACE-XXMKCSCWSA-N 0 0 519.623 3.544 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000027548329 553833228 /nfs/dbraw/zinc/83/32/28/553833228.db2.gz VDBMDWCAYNRYRD-LWUPDDLQSA-N 0 0 506.624 3.903 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000027548332 553833220 /nfs/dbraw/zinc/83/32/20/553833220.db2.gz VDBMDWCAYNRYRD-GJFKPFFXSA-N 0 0 506.624 3.903 50 0 KHAARN O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21)N1CCOCC1 ZINC000027571000 553835224 /nfs/dbraw/zinc/83/52/24/553835224.db2.gz YTAGMNUMBAFJBD-NHDPSOOVSA-N 0 0 513.381 3.900 50 0 KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000027571055 553835249 /nfs/dbraw/zinc/83/52/49/553835249.db2.gz BVOVQUMLZNTIIB-JOCHJYFZSA-N 0 0 522.985 3.866 50 0 KHAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O ZINC000027571059 553835247 /nfs/dbraw/zinc/83/52/47/553835247.db2.gz BVOVQUMLZNTIIB-QFIPXVFZSA-N 0 0 522.985 3.866 50 0 KHAARN CCOC(=O)C1CCN(C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2CCC(C(=O)OCC)CC2)CC1 ZINC000027571581 553835195 /nfs/dbraw/zinc/83/51/95/553835195.db2.gz KTSWHLJOOIUJMP-UHFFFAOYSA-N 0 0 512.818 3.868 50 0 KHAARN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000028827350 553844075 /nfs/dbraw/zinc/84/40/75/553844075.db2.gz CGDZXLJGHVKVIE-DNVCBOLYSA-N 0 0 566.531 3.686 50 0 investigational KHAARN CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O ZINC000029046741 553844205 /nfs/dbraw/zinc/84/42/05/553844205.db2.gz POJZIZBONPAWIV-UHFFFAOYSA-N 0 0 506.510 3.742 50 0 in-vitro KHAARN CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4c(C)onc4-c4ccccc4)CC3)cc21 ZINC000029059857 553844305 /nfs/dbraw/zinc/84/43/05/553844305.db2.gz DBOOXKASQYSJMQ-UHFFFAOYSA-N 0 0 563.611 3.659 50 0 KHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000029492382 553845755 /nfs/dbraw/zinc/84/57/55/553845755.db2.gz JYXQDTXKCOFSGR-UHFFFAOYSA-N 0 0 634.780 3.779 50 0 KHAARN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000029493200 553846243 /nfs/dbraw/zinc/84/62/43/553846243.db2.gz QDHNPYYMCFSYHE-QHCPKHFHSA-N 0 0 620.753 3.885 50 0 KHAARN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000029493204 553846381 /nfs/dbraw/zinc/84/63/81/553846381.db2.gz QDHNPYYMCFSYHE-HSZRJFAPSA-N 0 0 620.753 3.885 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCN(c3ccccc3OC)CC1)n(CCc1ccc(OC)c(OC)c1)c2=O ZINC000029747326 553846949 /nfs/dbraw/zinc/84/69/49/553846949.db2.gz DNVBXWWYNFPLCJ-UHFFFAOYSA-N 0 0 632.739 3.893 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NCCc2ccccc2)cc1OC ZINC000029747330 553846973 /nfs/dbraw/zinc/84/69/73/553846973.db2.gz OTBLHCRRLFQIAK-UHFFFAOYSA-N 0 0 574.703 3.614 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)NCCCN1CCOCC1 ZINC000029747331 553846934 /nfs/dbraw/zinc/84/69/34/553846934.db2.gz KTXKOHYBYMJIOZ-UHFFFAOYSA-N 0 0 591.656 3.765 50 0 KHAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3Cc3ccco3)c(=O)n2-c2ccccc2)cc1 ZINC000029747476 553847623 /nfs/dbraw/zinc/84/76/23/553847623.db2.gz QSZXBYWMGUEXJZ-UHFFFAOYSA-N 0 0 613.768 3.718 50 0 KHAARN O=C(Nc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000029747495 553848049 /nfs/dbraw/zinc/84/80/49/553848049.db2.gz OCEAENOJQOJQNO-UHFFFAOYSA-N 0 0 627.741 3.744 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(OC)c(OC)c2)[NH2+][C@@]3(Cc2ccccc2)C(=O)[O-])cc1 ZINC000029747504 553848017 /nfs/dbraw/zinc/84/80/17/553848017.db2.gz NBXDDHCQMYBFDS-VWDBNSKXSA-N 0 0 530.577 3.619 50 0 KHAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc23)ccc1OC ZINC000029747982 553849502 /nfs/dbraw/zinc/84/95/02/553849502.db2.gz ZWLOIGVATMYQDA-UHFFFAOYSA-N 0 0 547.637 3.738 50 0 KHAARN Cc1ccc(Br)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000029747992 553849565 /nfs/dbraw/zinc/84/95/65/553849565.db2.gz OLVWQKBHYPZGPN-UHFFFAOYSA-N 0 0 566.337 3.914 50 0 KHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(-c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000029748065 553849563 /nfs/dbraw/zinc/84/95/63/553849563.db2.gz MQWZJBUEZQUHHO-UHFFFAOYSA-N 0 0 558.550 3.823 50 0 KHAARN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000029748101 553849506 /nfs/dbraw/zinc/84/95/06/553849506.db2.gz PUBYBTBXORWTGN-ZEQRLZLVSA-N 0 0 624.602 3.675 50 0 KHAARN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000029748104 553849525 /nfs/dbraw/zinc/84/95/25/553849525.db2.gz PUBYBTBXORWTGN-PSWAGMNNSA-N 0 0 624.602 3.675 50 0 KHAARN O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000029748108 553849570 /nfs/dbraw/zinc/84/95/70/553849570.db2.gz PUBYBTBXORWTGN-DNQXCXABSA-N 0 0 624.602 3.675 50 0 KHAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)NC[C@@H]1CCCO1 ZINC000029748821 553850185 /nfs/dbraw/zinc/85/01/85/553850185.db2.gz NMAVEGHAMUIMNC-SANMLTNESA-N 0 0 641.750 3.523 50 0 KHAARN O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)NC[C@H]1CCCO1 ZINC000029748824 553850042 /nfs/dbraw/zinc/85/00/42/553850042.db2.gz NMAVEGHAMUIMNC-AREMUKBSSA-N 0 0 641.750 3.523 50 0 KHAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC2CCCCC2)OCO4)cc1OC ZINC000029748870 553850207 /nfs/dbraw/zinc/85/02/07/553850207.db2.gz BJKZIGQNCXZBMX-UHFFFAOYSA-N 0 0 610.733 3.823 50 0 KHAARN COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)Nc2cc(C)[nH]n2)OCO4)cc1OC ZINC000029748874 553850106 /nfs/dbraw/zinc/85/01/06/553850106.db2.gz TZYJDQNXVNGCHH-UHFFFAOYSA-N 0 0 636.731 3.824 50 0 KHAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 ZINC000029749059 553850684 /nfs/dbraw/zinc/85/06/84/553850684.db2.gz COEFHNNAAOFWHX-UHFFFAOYSA-N 0 0 533.477 3.767 50 0 KHAARN O=C(CN1CCN(CC(=O)Nc2ncc(Br)cc2Br)CC1)Nc1ncc(Br)cc1Br ZINC000029749248 553851552 /nfs/dbraw/zinc/85/15/52/553851552.db2.gz YVEUMYMKXQMEHY-UHFFFAOYSA-N 0 0 669.998 3.721 50 0 KHAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(S(=O)(=O)N5CCCCC5)cc4)c3C2=O)CC1 ZINC000029749261 553851549 /nfs/dbraw/zinc/85/15/49/553851549.db2.gz DMFVGDAXMIAJIJ-UHFFFAOYSA-N 0 0 554.669 3.690 50 0 KHAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000029749273 553851662 /nfs/dbraw/zinc/85/16/62/553851662.db2.gz KPGQCQQRIBIMKC-SANMLTNESA-N 0 0 591.697 3.715 50 0 KHAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000029749276 553851612 /nfs/dbraw/zinc/85/16/12/553851612.db2.gz KPGQCQQRIBIMKC-AREMUKBSSA-N 0 0 591.697 3.715 50 0 KHAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)c(Cl)c3)N2C1=O ZINC000029749309 553851630 /nfs/dbraw/zinc/85/16/30/553851630.db2.gz OORUOOIWQUQAFD-IBGZPJMESA-N 0 0 528.034 3.985 50 0 KHAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)c(Cl)c3)N2C1=O ZINC000029749312 553851586 /nfs/dbraw/zinc/85/15/86/553851586.db2.gz OORUOOIWQUQAFD-LJQANCHMSA-N 0 0 528.034 3.985 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1OC ZINC000029749316 553851560 /nfs/dbraw/zinc/85/15/60/553851560.db2.gz FKKGRNWSWLOJSS-NDEPHWFRSA-N 0 0 654.793 3.883 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1OC ZINC000029749320 553851900 /nfs/dbraw/zinc/85/19/00/553851900.db2.gz FKKGRNWSWLOJSS-MUUNZHRXSA-N 0 0 654.793 3.883 50 0 KHAARN COc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC ZINC000029749384 553851809 /nfs/dbraw/zinc/85/18/09/553851809.db2.gz SCLSYBVWFXAYRX-UNMCSNQZSA-N 0 0 552.715 3.637 50 0 KHAARN COc1cccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC ZINC000029749388 553851902 /nfs/dbraw/zinc/85/19/02/553851902.db2.gz SCLSYBVWFXAYRX-RBBKRZOGSA-N 0 0 552.715 3.637 50 0 KHAARN CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NCCc2cc(OC)c(OC)c(OC)c2)c1C ZINC000029749401 553851881 /nfs/dbraw/zinc/85/18/81/553851881.db2.gz NRIPOZLRDGJZKN-UHFFFAOYSA-N 0 0 548.640 3.817 50 0 KHAARN CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)c4cc(OCC)c(OCC)cc4[nH]c3=S)cc2)CC1 ZINC000029749433 553852265 /nfs/dbraw/zinc/85/22/65/553852265.db2.gz ZMOAPTXJNYPRSY-UHFFFAOYSA-N 0 0 540.642 3.689 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)N2CC=C(c3ccccc3)CC2)c1=O ZINC000029749615 553852215 /nfs/dbraw/zinc/85/22/15/553852215.db2.gz AMFVUHBFWXMVQN-UHFFFAOYSA-N 0 0 580.641 3.685 50 0 KHAARN CCOC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000029749638 553852278 /nfs/dbraw/zinc/85/22/78/553852278.db2.gz RUOWKTVXOQRKBV-NDEPHWFRSA-N 0 0 624.712 3.720 50 0 KHAARN CCOC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000029749640 553852176 /nfs/dbraw/zinc/85/21/76/553852176.db2.gz RUOWKTVXOQRKBV-MUUNZHRXSA-N 0 0 624.712 3.720 50 0 KHAARN O=C(NCc1cccs1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749678 553852473 /nfs/dbraw/zinc/85/24/73/553852473.db2.gz AAQHGLBZPMISHY-FQEVSTJZSA-N 0 0 534.457 3.788 50 0 KHAARN O=C(NCc1cccs1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749680 553852557 /nfs/dbraw/zinc/85/25/57/553852557.db2.gz AAQHGLBZPMISHY-HXUWFJFHSA-N 0 0 534.457 3.788 50 0 KHAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1OC ZINC000029749913 553853190 /nfs/dbraw/zinc/85/31/90/553853190.db2.gz ZSZXGMNRGUIASG-UHFFFAOYSA-N 0 0 590.721 3.716 50 0 KHAARN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc3N(C)C2=O)cc1OC ZINC000029749968 553853187 /nfs/dbraw/zinc/85/31/87/553853187.db2.gz QJGBYADGEJFAEH-KOEQRZSOSA-N 0 0 531.638 3.956 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000029752478 553853419 /nfs/dbraw/zinc/85/34/19/553853419.db2.gz MCGPQPQJCUEKFL-KAYWLYCHSA-N 0 0 549.649 3.749 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000029752480 553853411 /nfs/dbraw/zinc/85/34/11/553853411.db2.gz MCGPQPQJCUEKFL-RRPNLBNLSA-N 0 0 549.649 3.749 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000029752482 553853450 /nfs/dbraw/zinc/85/34/50/553853450.db2.gz MCGPQPQJCUEKFL-SXOMAYOGSA-N 0 0 549.649 3.749 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000029752484 553853431 /nfs/dbraw/zinc/85/34/31/553853431.db2.gz MCGPQPQJCUEKFL-SVBPBHIXSA-N 0 0 549.649 3.749 50 0 KHAARN COc1ccc(CN2CCN(C(=O)C3CCC(CNS(=O)(=O)c4ccc(Br)s4)CC3)CC2)c(OC)c1OC ZINC000029752496 553853406 /nfs/dbraw/zinc/85/34/06/553853406.db2.gz HOXCDHMWTFCYRL-UHFFFAOYSA-N 0 0 630.627 3.966 50 0 KHAARN Cc1cc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)ccc1Br ZINC000029752498 553853321 /nfs/dbraw/zinc/85/33/21/553853321.db2.gz IKEQHHKOBIHBDZ-UHFFFAOYSA-N 0 0 551.326 3.917 50 0 KHAARN COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NC4CCCC4)CC3)c2=O)cc(OC)c1 ZINC000029752511 553853394 /nfs/dbraw/zinc/85/33/94/553853394.db2.gz ODWMVJNZGIFEJL-UHFFFAOYSA-N 0 0 562.667 3.684 50 0 KHAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCC(O)(c3cccc(C(F)(F)F)c3)CC1)c2=O ZINC000029752526 553853731 /nfs/dbraw/zinc/85/37/31/553853731.db2.gz STBZSHGKKPGZKJ-UHFFFAOYSA-N 0 0 561.557 3.566 50 0 KHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCC(Cc5ccccc5)CC4)c(=O)c32)CC1 ZINC000029752563 553853735 /nfs/dbraw/zinc/85/37/35/553853735.db2.gz ZZWFUSNGCPZODA-UHFFFAOYSA-N 0 0 635.812 3.767 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752722 553854751 /nfs/dbraw/zinc/85/47/51/553854751.db2.gz FHYSDODAMGPPER-LOYHVIPDSA-N 0 0 555.631 3.614 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752724 553854681 /nfs/dbraw/zinc/85/46/81/553854681.db2.gz FHYSDODAMGPPER-XZWHSSHBSA-N 0 0 555.631 3.614 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752726 553854777 /nfs/dbraw/zinc/85/47/77/553854777.db2.gz FHYSDODAMGPPER-IHLOFXLRSA-N 0 0 555.631 3.614 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752727 553854833 /nfs/dbraw/zinc/85/48/33/553854833.db2.gz FHYSDODAMGPPER-KYJUHHDHSA-N 0 0 555.631 3.614 50 0 KHAARN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000030761529 553857113 /nfs/dbraw/zinc/85/71/13/553857113.db2.gz FSRXBBDITRNKTM-XQNSMLJCSA-N 0 0 504.568 3.695 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)c1=NC(=O)COc1ccc(Cl)cc1 ZINC000031937334 1066499450 /nfs/dbraw/zinc/49/94/50/1066499450.db2.gz BQEUGQCMSLJEEQ-UHFFFAOYSA-N 0 0 508.962 3.642 50 0 KHAARN COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000032110900 553863633 /nfs/dbraw/zinc/86/36/33/553863633.db2.gz TXTDUYJAYZROHX-OGRZUZBBSA-N 0 0 511.603 3.891 50 0 KHAARN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)NCc2ccccc2)cc1 ZINC000032617775 553870153 /nfs/dbraw/zinc/87/01/53/553870153.db2.gz HIUCKGPDAVDBIW-UQQQWYQISA-N 0 0 515.591 3.990 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000032617777 553870294 /nfs/dbraw/zinc/87/02/94/553870294.db2.gz NABCNEYBOLLDJZ-DPWKNNTCSA-N 0 0 503.805 3.824 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000032617779 553870359 /nfs/dbraw/zinc/87/03/59/553870359.db2.gz NABCNEYBOLLDJZ-XGHXRCDJSA-N 0 0 503.805 3.824 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000032617783 553870339 /nfs/dbraw/zinc/87/03/39/553870339.db2.gz BGIXTUAOJRTZHU-IDQDRXHYSA-N 0 0 519.406 3.732 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000032617785 553870268 /nfs/dbraw/zinc/87/02/68/553870268.db2.gz BGIXTUAOJRTZHU-KEBMYNNESA-N 0 0 519.406 3.732 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2CCN2CCOCC2)cc1 ZINC000032624438 553870527 /nfs/dbraw/zinc/87/05/27/553870527.db2.gz UMFJPHMMTUHMGK-RQZHXJHFSA-N 0 0 530.716 3.820 50 0 KHAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2=Cc1ccco1)NCCN1C(=O)CSC1=O ZINC000032636456 553871338 /nfs/dbraw/zinc/87/13/38/553871338.db2.gz PRRCFCRAWGVKDS-DTQAZKPQSA-N 0 0 505.552 3.673 50 0 KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2cc(Cl)nc3ccccc32)c(=O)[nH]c1=O ZINC000032666231 553872082 /nfs/dbraw/zinc/87/20/82/553872082.db2.gz UZLIWKXJGUYCJJ-UHFFFAOYSA-N 0 0 507.978 3.976 50 0 KHAARN O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000032670153 553873071 /nfs/dbraw/zinc/87/30/71/553873071.db2.gz QBFIMXRZDPUQLH-UHFFFAOYSA-N 0 0 504.914 3.941 50 0 KHAARN Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000032678693 553873082 /nfs/dbraw/zinc/87/30/82/553873082.db2.gz MNJRFRVTJAPKIG-UHFFFAOYSA-N 0 0 517.007 3.524 50 0 KHAARN CS(=O)(=O)N(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000032690978 1066492185 /nfs/dbraw/zinc/49/21/85/1066492185.db2.gz RQAMYHSNOLFEOC-ZPHPHTNESA-N 0 0 516.019 3.806 50 0 KHAARN CC(=O)c1cccc(NC(=O)c2sc(Nc3ccc(C)cc3)c(C(=O)NCCN3CCOCC3)c2N)c1 ZINC000032704535 553873486 /nfs/dbraw/zinc/87/34/86/553873486.db2.gz DCLPPCWJKLGOFW-UHFFFAOYSA-N 0 0 521.643 3.899 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NNC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)nc1 ZINC000032709447 553873490 /nfs/dbraw/zinc/87/34/90/553873490.db2.gz POCJQCRUQCWMPX-HAVVHWLPSA-N 0 0 505.600 3.565 50 0 KHAARN Nc1c(N(Cc2ccccc2)C(=O)COc2ccc(F)cc2Cl)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000032716543 553873580 /nfs/dbraw/zinc/87/35/80/553873580.db2.gz PWHCMGAIJGANJR-UHFFFAOYSA-N 0 0 508.937 3.572 50 0 KHAARN O=C(COc1ccc(F)cc1Cl)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000032718864 553873571 /nfs/dbraw/zinc/87/35/71/553873571.db2.gz OPBHVOOLOVYLMH-UHFFFAOYSA-N 0 0 512.003 3.508 50 0 KHAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000032721201 553873793 /nfs/dbraw/zinc/87/37/93/553873793.db2.gz NTHJLQYJRPEQPJ-UHFFFAOYSA-N 0 0 511.600 3.996 50 0 KHAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000032721213 553873753 /nfs/dbraw/zinc/87/37/53/553873753.db2.gz BFGPEXGFUZXGDZ-UHFFFAOYSA-N 0 0 500.020 3.597 50 0 KHAARN Cc1sc2ncnc(N3CCC(C(=O)N4CCN(S(=O)(=O)c5ccc(C)cc5C)CC4)CC3)c2c1C ZINC000032727257 553873750 /nfs/dbraw/zinc/87/37/50/553873750.db2.gz PLWHWRWLOGZMRC-UHFFFAOYSA-N 0 0 527.716 3.674 50 0 KHAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c(OC)c1 ZINC000032727328 553873808 /nfs/dbraw/zinc/87/38/08/553873808.db2.gz IGATZUHPSWNLFO-QHCPKHFHSA-N 0 0 524.643 3.789 50 0 KHAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c(OC)c1 ZINC000032727330 553873863 /nfs/dbraw/zinc/87/38/63/553873863.db2.gz IGATZUHPSWNLFO-HSZRJFAPSA-N 0 0 524.643 3.789 50 0 KHAARN COc1ccc(CN(C)C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)c(OC)c1 ZINC000032727333 553873840 /nfs/dbraw/zinc/87/38/40/553873840.db2.gz YZEMMOWAEJDLFM-QHCPKHFHSA-N 0 0 524.643 3.789 50 0 KHAARN COc1ccc(CN(C)C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)c(OC)c1 ZINC000032727336 553873883 /nfs/dbraw/zinc/87/38/83/553873883.db2.gz YZEMMOWAEJDLFM-HSZRJFAPSA-N 0 0 524.643 3.789 50 0 KHAARN COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1OC ZINC000032735831 553874243 /nfs/dbraw/zinc/87/42/43/553874243.db2.gz GDMGHVASSKECIA-QFIPXVFZSA-N 0 0 524.643 3.789 50 0 KHAARN COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1OC ZINC000032735832 553874315 /nfs/dbraw/zinc/87/43/15/553874315.db2.gz GDMGHVASSKECIA-JOCHJYFZSA-N 0 0 524.643 3.789 50 0 KHAARN COc1cccc(CN(C)C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)c1OC ZINC000032735833 553874254 /nfs/dbraw/zinc/87/42/54/553874254.db2.gz XKKQHZYTRDZPMR-QFIPXVFZSA-N 0 0 524.643 3.789 50 0 KHAARN COc1cccc(CN(C)C(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)c1OC ZINC000032735834 553874270 /nfs/dbraw/zinc/87/42/70/553874270.db2.gz XKKQHZYTRDZPMR-JOCHJYFZSA-N 0 0 524.643 3.789 50 0 KHAARN COc1cc(C)c(CN2CCN(C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)CC2)cc1OC ZINC000032736765 553874567 /nfs/dbraw/zinc/87/45/67/553874567.db2.gz VILPINZVAQOWBF-UHFFFAOYSA-N 0 0 523.655 3.795 50 0 KHAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000032744472 553874584 /nfs/dbraw/zinc/87/45/84/553874584.db2.gz FVLHLDUCMWQNNS-UHFFFAOYSA-N 0 0 512.941 4.000 50 0 KHAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccccc5F)CC4)cc3)o2)cc1 ZINC000032808625 553875097 /nfs/dbraw/zinc/87/50/97/553875097.db2.gz ZPIKKSNNBPLEET-UHFFFAOYSA-N 0 0 506.559 3.998 50 0 KHAARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cccc(F)c5)CC4)cc3)o2)cc1 ZINC000032808702 553875307 /nfs/dbraw/zinc/87/53/07/553875307.db2.gz CZKFEJLZLVGELT-UHFFFAOYSA-N 0 0 506.559 3.998 50 0 KHAARN O=C(OCc1ccccc1C(F)(F)F)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032896034 553875583 /nfs/dbraw/zinc/87/55/83/553875583.db2.gz GYYWLAWABCNLEC-UHFFFAOYSA-N 0 0 508.312 3.846 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)Nc3ccc(C)cc3F)cc2)cc1 ZINC000032910084 553875639 /nfs/dbraw/zinc/87/56/39/553875639.db2.gz OZZUVHWZSUIZLZ-UHFFFAOYSA-N 0 0 500.548 3.828 50 0 KHAARN CN(C(=O)COC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000032910087 553875604 /nfs/dbraw/zinc/87/56/04/553875604.db2.gz XPJIIAQXBQGBRS-UHFFFAOYSA-N 0 0 502.976 3.750 50 0 KHAARN Cc1cc(C(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccco1 ZINC000032910659 553875849 /nfs/dbraw/zinc/87/58/49/553875849.db2.gz QATAOKXYLYUFKD-UHFFFAOYSA-N 0 0 512.506 3.860 50 0 KHAARN CC(C)NC(=O)CN(CC(=O)NC(C)C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000032913801 553876122 /nfs/dbraw/zinc/87/61/22/553876122.db2.gz YYFWOCHOSWTLGP-UHFFFAOYSA-N 0 0 526.641 3.638 50 0 KHAARN CCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000032914558 553876213 /nfs/dbraw/zinc/87/62/13/553876213.db2.gz XJXWUCOKJIJXBM-UHFFFAOYSA-N 0 0 502.633 3.649 50 0 KHAARN CCOc1ccc(C(=O)c2ccccc2C(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1OCC ZINC000032915264 553876509 /nfs/dbraw/zinc/87/65/09/553876509.db2.gz MSRXVPJCBATLQU-UHFFFAOYSA-N 0 0 510.612 3.564 50 0 KHAARN Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000032944209 553877795 /nfs/dbraw/zinc/87/77/95/553877795.db2.gz WURKGWKVRNTXMH-UPWIVDSGSA-N 0 0 529.659 3.536 50 0 KHAARN Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000032944210 553877784 /nfs/dbraw/zinc/87/77/84/553877784.db2.gz WURKGWKVRNTXMH-YVSHKSEASA-N 0 0 529.659 3.536 50 0 KHAARN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000032944253 553877982 /nfs/dbraw/zinc/87/79/82/553877982.db2.gz ODZXOWABBLQLIP-BBDDESMNSA-N 0 0 501.649 3.775 50 0 KHAARN Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000032944254 553877997 /nfs/dbraw/zinc/87/79/97/553877997.db2.gz ODZXOWABBLQLIP-UPYVZJKUSA-N 0 0 501.649 3.775 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(F)cc1)n(Cc1ccccc1)c2=O ZINC000032944280 553878036 /nfs/dbraw/zinc/87/80/36/553878036.db2.gz IJCUKOUPZMBDAV-UHFFFAOYSA-N 0 0 505.571 3.935 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(Cc1ccccc1)c2=O ZINC000032944283 553878058 /nfs/dbraw/zinc/87/80/58/553878058.db2.gz NAYZBYILJSIDRT-UHFFFAOYSA-N 0 0 517.607 3.805 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccccc1)n(-c1ccc(OC)cc1)c2=O ZINC000032944386 553878522 /nfs/dbraw/zinc/87/85/22/553878522.db2.gz GIRPUCAULQHBLR-UHFFFAOYSA-N 0 0 503.580 3.746 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1cccc(F)c1)c2=O ZINC000032944513 553878810 /nfs/dbraw/zinc/87/88/10/553878810.db2.gz RQLSVFYWOQHZGO-UHFFFAOYSA-N 0 0 521.570 3.885 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1ccc(F)cc1)c2=O ZINC000032944647 553879533 /nfs/dbraw/zinc/87/95/33/553879533.db2.gz JGFRHWMMQNCCQL-UHFFFAOYSA-N 0 0 521.570 3.885 50 0 KHAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccc(CC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944974 553879715 /nfs/dbraw/zinc/87/97/15/553879715.db2.gz QPASJKJLODIOMH-IBGZPJMESA-N 0 0 528.650 3.599 50 0 KHAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccc(CC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944976 553879735 /nfs/dbraw/zinc/87/97/35/553879735.db2.gz QPASJKJLODIOMH-LJQANCHMSA-N 0 0 528.650 3.599 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CSc2nnc3ccc(C(=O)Nc4ccc(C)cc4)cn32)CC1 ZINC000032951554 553880289 /nfs/dbraw/zinc/88/02/89/553880289.db2.gz HEZIRGVQBWIGKU-UHFFFAOYSA-N 0 0 516.627 3.740 50 0 KHAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000032953664 553880955 /nfs/dbraw/zinc/88/09/55/553880955.db2.gz FEVWSSKFDWQBOF-OAQYLSRUSA-N 0 0 522.652 3.697 50 0 KHAARN COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000032953667 553880951 /nfs/dbraw/zinc/88/09/51/553880951.db2.gz FEVWSSKFDWQBOF-NRFANRHFSA-N 0 0 522.652 3.697 50 0 KHAARN CC(C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958788 553881729 /nfs/dbraw/zinc/88/17/29/553881729.db2.gz PUALHPYYZLUOBW-UHFFFAOYSA-N 0 0 506.024 3.509 50 0 KHAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958819 553881779 /nfs/dbraw/zinc/88/17/79/553881779.db2.gz PDRSFVCWRSULGI-UHFFFAOYSA-N 0 0 502.351 3.503 50 0 KHAARN O=C(Nc1cccc2c1CCCC2)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958837 553881746 /nfs/dbraw/zinc/88/17/46/553881746.db2.gz BEEZEWVJGVEYFP-UHFFFAOYSA-N 0 0 504.008 3.589 50 0 KHAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc1)c2=O ZINC000032959298 553881904 /nfs/dbraw/zinc/88/19/04/553881904.db2.gz CGJVMOGSRPYZOC-UHFFFAOYSA-N 0 0 518.570 3.563 50 0 KHAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)N3CCN(c4ccccc4F)CC3)c1)c2=O ZINC000032959318 553881972 /nfs/dbraw/zinc/88/19/72/553881972.db2.gz PGWHBLGGAAVAEP-UHFFFAOYSA-N 0 0 518.570 3.563 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000032960694 553882069 /nfs/dbraw/zinc/88/20/69/553882069.db2.gz SLESVZGATNMMBZ-UHFFFAOYSA-N 0 0 511.648 3.515 50 0 KHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000032960932 553882330 /nfs/dbraw/zinc/88/23/30/553882330.db2.gz UNNFDVCBAOASHC-UHFFFAOYSA-N 0 0 527.046 3.562 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000032962527 553882496 /nfs/dbraw/zinc/88/24/96/553882496.db2.gz MDWYLSBKDPWQDJ-UHFFFAOYSA-N 0 0 516.973 3.503 50 0 KHAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032966553 553882464 /nfs/dbraw/zinc/88/24/64/553882464.db2.gz GIKOCHQHOCASCD-UHFFFAOYSA-N 0 0 521.945 3.523 50 0 KHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN32)cc1OCC ZINC000032966684 553882774 /nfs/dbraw/zinc/88/27/74/553882774.db2.gz OXSVHWQOXAJEHI-UHFFFAOYSA-N 0 0 528.631 3.676 50 0 KHAARN CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000032967387 553882777 /nfs/dbraw/zinc/88/27/77/553882777.db2.gz FNSNNJKWPLPHKU-UHFFFAOYSA-N 0 0 528.074 3.998 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(OCCC)cc4)nn3c2=O)cc1OC ZINC000032968096 553882795 /nfs/dbraw/zinc/88/27/95/553882795.db2.gz XTDRCAHDJSCDTG-JJIBRWJFSA-N 0 0 507.612 3.626 50 0 KHAARN CCCOc1ccc(Cc2nn3c(nc2=O)s/c(=C/c2ccc(OCCC)c(OCC)c2)c3=O)cc1 ZINC000032968111 553882825 /nfs/dbraw/zinc/88/28/25/553882825.db2.gz SHYGYTWPKRFBEG-JJIBRWJFSA-N 0 0 507.612 3.626 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000032970875 553882963 /nfs/dbraw/zinc/88/29/63/553882963.db2.gz HBDASQIUVZHJBP-AREMUKBSSA-N 0 0 511.619 3.844 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000032970876 553882918 /nfs/dbraw/zinc/88/29/18/553882918.db2.gz HBDASQIUVZHJBP-SANMLTNESA-N 0 0 511.619 3.844 50 0 KHAARN Cc1cc2occ(CC(=O)N(C)CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)c2cc1C(C)C ZINC000032971943 553883257 /nfs/dbraw/zinc/88/32/57/553883257.db2.gz NEWNWVZJASCTNV-UHFFFAOYSA-N 0 0 539.677 3.643 50 0 KHAARN O=C([C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCN(c2ccccc2)CC1 ZINC000032975380 553883918 /nfs/dbraw/zinc/88/39/18/553883918.db2.gz FFBWECFZMZZLAT-XMMPIXPASA-N 0 0 533.698 3.585 50 0 KHAARN O=C([C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCN(c2ccccc2)CC1 ZINC000032975382 553883929 /nfs/dbraw/zinc/88/39/29/553883929.db2.gz FFBWECFZMZZLAT-DEOSSOPVSA-N 0 0 533.698 3.585 50 0 KHAARN O=C(NC1CCCCCCC1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1 ZINC000032975504 553884231 /nfs/dbraw/zinc/88/42/31/553884231.db2.gz ZQDBBBCLJCOLLD-JOCHJYFZSA-N 0 0 514.692 3.701 50 0 KHAARN O=C(NC1CCCCCCC1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1 ZINC000032975506 553884219 /nfs/dbraw/zinc/88/42/19/553884219.db2.gz ZQDBBBCLJCOLLD-QFIPXVFZSA-N 0 0 514.692 3.701 50 0 KHAARN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000032975591 553884237 /nfs/dbraw/zinc/88/42/37/553884237.db2.gz WWTVTNLNVBYXKR-UHFFFAOYSA-N 0 0 507.656 3.688 50 0 KHAARN CCOc1ccc(OCCC(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000032976306 553884477 /nfs/dbraw/zinc/88/44/77/553884477.db2.gz XXCQGWWTDSFVFT-UHFFFAOYSA-N 0 0 514.582 3.568 50 0 KHAARN COC(=O)C1=C(c2ccccc2)c2ccccc2S(=O)(=O)N1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000032984925 553885298 /nfs/dbraw/zinc/88/52/98/553885298.db2.gz NRCAJUYVWOBCJK-UHFFFAOYSA-N 0 0 512.971 3.924 50 0 KHAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccccc1OC ZINC000032984944 553885284 /nfs/dbraw/zinc/88/52/84/553885284.db2.gz FSHJFJIJJQNXAW-UHFFFAOYSA-N 0 0 512.971 3.924 50 0 KHAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1cccc(OC)c1 ZINC000032984946 553885258 /nfs/dbraw/zinc/88/52/58/553885258.db2.gz OIUKNAMFSFHXTM-UHFFFAOYSA-N 0 0 512.971 3.924 50 0 KHAARN COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccc(OC)cc1 ZINC000032984948 553885575 /nfs/dbraw/zinc/88/55/75/553885575.db2.gz SESDYXCFANESGG-UHFFFAOYSA-N 0 0 512.971 3.924 50 0 KHAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(Br)cc4)ccc3n2)CC1 ZINC000032985161 553885607 /nfs/dbraw/zinc/88/56/07/553885607.db2.gz IBPHGTJIXPYBIX-UHFFFAOYSA-N 0 0 519.421 3.638 50 0 KHAARN CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(OC)c(Cl)c4)ccc3n2)CC1 ZINC000032985231 553885896 /nfs/dbraw/zinc/88/58/96/553885896.db2.gz MUCKUIPCJSMCAP-UHFFFAOYSA-N 0 0 519.023 3.928 50 0 KHAARN CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(OC)c(Cl)c4)ccc3n2)CC1 ZINC000032985232 553885888 /nfs/dbraw/zinc/88/58/88/553885888.db2.gz HFLZOBMSPOTUEU-UHFFFAOYSA-N 0 0 504.996 3.538 50 0 KHAARN Cc1ccc(CSCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1 ZINC000032985988 553886657 /nfs/dbraw/zinc/88/66/57/553886657.db2.gz BWDXXFYLFJLISK-UHFFFAOYSA-N 0 0 518.579 3.829 50 0 KHAARN O=C(COC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1)NC1CCCCC1 ZINC000032986909 553886628 /nfs/dbraw/zinc/88/66/28/553886628.db2.gz YYCXTMHMBGHQLY-OAQYLSRUSA-N 0 0 511.522 3.714 50 0 KHAARN O=C(COC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1)NC1CCCCC1 ZINC000032986910 553886650 /nfs/dbraw/zinc/88/66/50/553886650.db2.gz YYCXTMHMBGHQLY-NRFANRHFSA-N 0 0 511.522 3.714 50 0 KHAARN O=C(COC(=O)c1ccc([C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1)NCc1ccccc1 ZINC000032986913 553886788 /nfs/dbraw/zinc/88/67/88/553886788.db2.gz INBZMUCBVDDUMW-JOCHJYFZSA-N 0 0 519.501 3.581 50 0 KHAARN O=C(COC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1)NCc1ccccc1 ZINC000032986914 553886779 /nfs/dbraw/zinc/88/67/79/553886779.db2.gz INBZMUCBVDDUMW-QFIPXVFZSA-N 0 0 519.501 3.581 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)c2nnc(CSCC(=O)NCc3ccc(OC)cc3)s2)cc1 ZINC000032987346 553886809 /nfs/dbraw/zinc/88/68/09/553886809.db2.gz IEPRTXKCBBLQJC-UHFFFAOYSA-N 0 0 500.602 3.525 50 0 KHAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000032989091 553886790 /nfs/dbraw/zinc/88/67/90/553886790.db2.gz NDMQICQSKFMMOK-UHFFFAOYSA-N 0 0 513.357 3.732 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)cc1C ZINC000032992711 553887261 /nfs/dbraw/zinc/88/72/61/553887261.db2.gz YLAXJQYCPKHWNT-MHZLTWQESA-N 0 0 521.595 3.501 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)cc1C ZINC000032992712 553887325 /nfs/dbraw/zinc/88/73/25/553887325.db2.gz YLAXJQYCPKHWNT-HHHXNRCGSA-N 0 0 521.595 3.501 50 0 KHAARN COCCN(C(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994542 553887302 /nfs/dbraw/zinc/88/73/02/553887302.db2.gz HMHSTOZMFOVSOF-UHFFFAOYSA-N 0 0 522.005 3.937 50 0 KHAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032999420 553887564 /nfs/dbraw/zinc/88/75/64/553887564.db2.gz BFHDEUCGTNYUHX-UHFFFAOYSA-N 0 0 502.458 3.988 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000032999529 553887570 /nfs/dbraw/zinc/88/75/70/553887570.db2.gz UBIXQTZYSIKTBR-UHFFFAOYSA-N 0 0 522.627 3.879 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000032999540 553887770 /nfs/dbraw/zinc/88/77/70/553887770.db2.gz DKOQARQPQRHVMR-UHFFFAOYSA-N 0 0 521.039 3.574 50 0 KHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000032999626 553887687 /nfs/dbraw/zinc/88/76/87/553887687.db2.gz ACXJNMQVAFOTCG-UHFFFAOYSA-N 0 0 509.575 3.639 50 0 KHAARN CCN(CC(=O)NCc1cccs1)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000032999682 553887730 /nfs/dbraw/zinc/88/77/30/553887730.db2.gz MNMPVWBRSLAJBT-UHFFFAOYSA-N 0 0 518.488 3.621 50 0 KHAARN COc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCN(C)CC3)c(C)c2c1 ZINC000032999696 553887718 /nfs/dbraw/zinc/88/77/18/553887718.db2.gz QILJAFHCWOXPRT-UHFFFAOYSA-N 0 0 526.659 3.929 50 0 KHAARN Cc1ccc(CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCN(C)CC2)cc1 ZINC000032999700 553887744 /nfs/dbraw/zinc/88/77/44/553887744.db2.gz ZECVXRBMOZFLDJ-UHFFFAOYSA-N 0 0 516.733 3.793 50 0 KHAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3O)CC2)c1 ZINC000033002128 553888037 /nfs/dbraw/zinc/88/80/37/553888037.db2.gz HDKFWRNIDAZBOO-UHFFFAOYSA-N 0 0 503.983 3.972 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000033005289 553888034 /nfs/dbraw/zinc/88/80/34/553888034.db2.gz MGGNBPONYFTATK-OAHLLOKOSA-N 0 0 510.962 3.561 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC000033005292 553887982 /nfs/dbraw/zinc/88/79/82/553887982.db2.gz MGGNBPONYFTATK-HNNXBMFYSA-N 0 0 510.962 3.561 50 0 KHAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000033010709 553888065 /nfs/dbraw/zinc/88/80/65/553888065.db2.gz VUGFTAHLOMUQSN-UHFFFAOYSA-N 0 0 500.020 3.679 50 0 KHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000033010861 553888269 /nfs/dbraw/zinc/88/82/69/553888269.db2.gz JBVOBKHVOIKWIB-UHFFFAOYSA-N 0 0 502.596 3.984 50 0 KHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)CC2)c1 ZINC000033024170 553888833 /nfs/dbraw/zinc/88/88/33/553888833.db2.gz JAVCKHMNGGMCMT-UHFFFAOYSA-N 0 0 513.591 3.602 50 0 KHAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)CC2)c1 ZINC000033024176 553888804 /nfs/dbraw/zinc/88/88/04/553888804.db2.gz JUIWZSQCJPGWTN-UHFFFAOYSA-N 0 0 513.591 3.602 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)s1 ZINC000033024645 553888848 /nfs/dbraw/zinc/88/88/48/553888848.db2.gz PPBPEAFYBUOUKS-UHFFFAOYSA-N 0 0 513.963 3.663 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)s1 ZINC000033024646 553888800 /nfs/dbraw/zinc/88/88/00/553888800.db2.gz CERNQTRCUYYQLG-UHFFFAOYSA-N 0 0 513.963 3.663 50 0 KHAARN Cc1cccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1C ZINC000033024650 553888793 /nfs/dbraw/zinc/88/87/93/553888793.db2.gz NXIOOGKJHWQJRG-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024651 553888869 /nfs/dbraw/zinc/88/88/69/553888869.db2.gz OKCZNFZNUMKQPB-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN CCc1ccccc1NC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024652 553888914 /nfs/dbraw/zinc/88/89/14/553888914.db2.gz XEOARYZUDOXGLO-UHFFFAOYSA-N 0 0 507.572 3.572 50 0 KHAARN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 ZINC000033024660 553888877 /nfs/dbraw/zinc/88/88/77/553888877.db2.gz NICNGKDIJKLUPB-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c(C)c1 ZINC000033024661 553888900 /nfs/dbraw/zinc/88/89/00/553888900.db2.gz LCLIOSVWTMRGKA-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1C ZINC000033024668 553888922 /nfs/dbraw/zinc/88/89/22/553888922.db2.gz PGCLFRATMFDFME-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 ZINC000033024671 553888905 /nfs/dbraw/zinc/88/89/05/553888905.db2.gz SGRBGZOCNNDOLE-UHFFFAOYSA-N 0 0 507.572 3.627 50 0 KHAARN CCc1cccc(NC(=O)C2CCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 ZINC000033024674 553888853 /nfs/dbraw/zinc/88/88/53/553888853.db2.gz PHUFUXHUIGZYBG-UHFFFAOYSA-N 0 0 507.572 3.572 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1)NCCCc1ccccc1 ZINC000033024795 553889254 /nfs/dbraw/zinc/88/92/54/553889254.db2.gz VFMSMCNRDPLYSG-UHFFFAOYSA-N 0 0 509.607 3.921 50 0 KHAARN COc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 ZINC000033024824 553889415 /nfs/dbraw/zinc/88/94/15/553889415.db2.gz VRZFMPNYVTXUHO-UHFFFAOYSA-N 0 0 507.616 3.666 50 0 KHAARN COc1ccccc1CNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033024842 553889466 /nfs/dbraw/zinc/88/94/66/553889466.db2.gz SNMKCGDHSJAXFY-UHFFFAOYSA-N 0 0 507.616 3.666 50 0 KHAARN COc1cccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)c1 ZINC000033024843 553889528 /nfs/dbraw/zinc/88/95/28/553889528.db2.gz LBZYIYNEOVIZIS-UHFFFAOYSA-N 0 0 507.616 3.666 50 0 KHAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4cccc(Cl)c4)s3)CC2)o1 ZINC000033024900 553889892 /nfs/dbraw/zinc/88/98/92/553889892.db2.gz ZYYDTRHEDZYWHU-UHFFFAOYSA-N 0 0 501.996 3.904 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1)NCCc1ccco1 ZINC000033024910 553889837 /nfs/dbraw/zinc/88/98/37/553889837.db2.gz SEDVQHMICPHMHZ-UHFFFAOYSA-N 0 0 501.996 3.638 50 0 KHAARN CCOc1ccccc1CNC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024961 553889865 /nfs/dbraw/zinc/88/98/65/553889865.db2.gz FYBHDMVQCDVSIF-UHFFFAOYSA-N 0 0 507.616 3.748 50 0 KHAARN CCOc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033024966 553889902 /nfs/dbraw/zinc/88/99/02/553889902.db2.gz WGFHUMVNQWFKCP-UHFFFAOYSA-N 0 0 507.616 3.748 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)NC1CCCCCC1 ZINC000033024973 553889890 /nfs/dbraw/zinc/88/98/90/553889890.db2.gz CMVSQHRUDRUFKZ-UHFFFAOYSA-N 0 0 513.620 3.600 50 0 KHAARN CCc1ccccc1NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024976 553889830 /nfs/dbraw/zinc/88/98/30/553889830.db2.gz DQHXKQCAVGPCKL-UHFFFAOYSA-N 0 0 521.599 3.963 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)Nc1ccccc1F ZINC000033024977 553889900 /nfs/dbraw/zinc/88/99/00/553889900.db2.gz CEEGZNXPEIJVFS-UHFFFAOYSA-N 0 0 511.535 3.539 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1)Nc1cccc(F)c1 ZINC000033024978 553889881 /nfs/dbraw/zinc/88/98/81/553889881.db2.gz SUWVXYUWYXVXIY-UHFFFAOYSA-N 0 0 511.535 3.539 50 0 KHAARN Cc1ccccc1NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033024982 553889898 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O=c1c2cc3c(cc2nc(SCc2nc(-c4ccc5c(c4)OCO5)no2)n1Cc1ccco1)OCO3 ZINC000033130634 553911187 /nfs/dbraw/zinc/91/11/87/553911187.db2.gz JBQJGYNOGMGDAQ-UHFFFAOYSA-N 0 0 504.480 3.838 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(C)c5ccccc45)c(=O)n32)cc1 ZINC000033154902 553911344 /nfs/dbraw/zinc/91/13/44/553911344.db2.gz HFIZGMPVXJLTIO-AQIZGWBQSA-N 0 0 501.608 3.687 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cn(C)c5ccccc45)c(=O)n32)cc1 ZINC000033154903 553911410 /nfs/dbraw/zinc/91/14/10/553911410.db2.gz HFIZGMPVXJLTIO-ZDGAQAAHSA-N 0 0 501.608 3.687 50 0 KHAARN CCOC(=O)C1CCN(C(=C(Cl)Cl)C(=C2NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])CC1 ZINC000033155121 553911776 /nfs/dbraw/zinc/91/17/76/553911776.db2.gz RUQOMERDJNFONA-HTXNQAPBSA-N 0 0 504.802 3.508 50 0 KHAARN CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250943 553913620 /nfs/dbraw/zinc/91/36/20/553913620.db2.gz GYQPHCAGYIXRRJ-JJNABOQBSA-N 0 0 514.692 3.643 50 0 KHAARN CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250944 553913531 /nfs/dbraw/zinc/91/35/31/553913531.db2.gz GYQPHCAGYIXRRJ-ZUTVHTERSA-N 0 0 514.692 3.643 50 0 KHAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000033250993 553913873 /nfs/dbraw/zinc/91/38/73/553913873.db2.gz KOGOGJJTYGNZNN-NRFANRHFSA-N 0 0 509.628 3.945 50 0 KHAARN COc1ccc(C(=O)CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000033250994 553913920 /nfs/dbraw/zinc/91/39/20/553913920.db2.gz KOGOGJJTYGNZNN-OAQYLSRUSA-N 0 0 509.628 3.945 50 0 KHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)c2)no1 ZINC000033252337 553914151 /nfs/dbraw/zinc/91/41/51/553914151.db2.gz CCMLXFMFHMVXJK-UHFFFAOYSA-N 0 0 503.024 3.978 50 0 KHAARN CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)NCc4nc5cc(C)ccc5[nH]4)CC3)c2)no1 ZINC000033252348 553914135 /nfs/dbraw/zinc/91/41/35/553914135.db2.gz OXNLGGPEXUDCRQ-UHFFFAOYSA-N 0 0 522.631 3.509 50 0 KHAARN CCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(-c5ccno5)cc4)CC3)c2)no1 ZINC000033252350 553914215 /nfs/dbraw/zinc/91/42/15/553914215.db2.gz GCCQNSAHWFJYLB-UHFFFAOYSA-N 0 0 507.572 3.993 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1OC ZINC000033255558 553914655 /nfs/dbraw/zinc/91/46/55/553914655.db2.gz IIJLQKLJBBNRDD-HXUWFJFHSA-N 0 0 524.643 3.892 50 0 KHAARN COc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1OC ZINC000033255559 553914605 /nfs/dbraw/zinc/91/46/05/553914605.db2.gz IIJLQKLJBBNRDD-FQEVSTJZSA-N 0 0 524.643 3.892 50 0 KHAARN COc1cc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc(OC)c1 ZINC000033255566 553914575 /nfs/dbraw/zinc/91/45/75/553914575.db2.gz YFPYOHVOUVENRM-HXUWFJFHSA-N 0 0 524.643 3.892 50 0 KHAARN COc1cc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc(OC)c1 ZINC000033255567 553914652 /nfs/dbraw/zinc/91/46/52/553914652.db2.gz YFPYOHVOUVENRM-FQEVSTJZSA-N 0 0 524.643 3.892 50 0 KHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255570 553914634 /nfs/dbraw/zinc/91/46/34/553914634.db2.gz POUMXERTQUAVIV-JOCHJYFZSA-N 0 0 508.644 3.561 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255571 553914609 /nfs/dbraw/zinc/91/46/09/553914609.db2.gz POUMXERTQUAVIV-QFIPXVFZSA-N 0 0 508.644 3.561 50 0 KHAARN O=C([C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCc2ccccc2C1 ZINC000033255576 553914616 /nfs/dbraw/zinc/91/46/16/553914616.db2.gz YERRDLQTPGBCQC-XMMPIXPASA-N 0 0 504.656 3.821 50 0 KHAARN O=C([C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCc2ccccc2C1 ZINC000033255577 553914565 /nfs/dbraw/zinc/91/45/65/553914565.db2.gz YERRDLQTPGBCQC-DEOSSOPVSA-N 0 0 504.656 3.821 50 0 KHAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000033255582 553914592 /nfs/dbraw/zinc/91/45/92/553914592.db2.gz NUKFJBXBLHEWGD-JOCHJYFZSA-N 0 0 508.644 3.561 50 0 KHAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000033255583 553914622 /nfs/dbraw/zinc/91/46/22/553914622.db2.gz NUKFJBXBLHEWGD-QFIPXVFZSA-N 0 0 508.644 3.561 50 0 KHAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)c1 ZINC000033255584 553914631 /nfs/dbraw/zinc/91/46/31/553914631.db2.gz IFGHCONHSNURQG-JOCHJYFZSA-N 0 0 508.644 3.561 50 0 KHAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)c1 ZINC000033255585 553914588 /nfs/dbraw/zinc/91/45/88/553914588.db2.gz IFGHCONHSNURQG-QFIPXVFZSA-N 0 0 508.644 3.561 50 0 KHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000033255590 553914582 /nfs/dbraw/zinc/91/45/82/553914582.db2.gz NQVOMOCXPXBPHI-HXUWFJFHSA-N 0 0 522.627 3.646 50 0 KHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1 ZINC000033255591 553914619 /nfs/dbraw/zinc/91/46/19/553914619.db2.gz NQVOMOCXPXBPHI-FQEVSTJZSA-N 0 0 522.627 3.646 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255592 553914646 /nfs/dbraw/zinc/91/46/46/553914646.db2.gz DDPVPGVXFICKLP-OAQYLSRUSA-N 0 0 521.643 3.833 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCC5)ccc4n3)C2)cc1 ZINC000033255593 553914586 /nfs/dbraw/zinc/91/45/86/553914586.db2.gz DDPVPGVXFICKLP-NRFANRHFSA-N 0 0 521.643 3.833 50 0 KHAARN COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255638 553914828 /nfs/dbraw/zinc/91/48/28/553914828.db2.gz KJCXKCNMUYDXEV-HSZRJFAPSA-N 0 0 522.671 3.951 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)cc1 ZINC000033255639 553914813 /nfs/dbraw/zinc/91/48/13/553914813.db2.gz KJCXKCNMUYDXEV-QHCPKHFHSA-N 0 0 522.671 3.951 50 0 KHAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255658 553914863 /nfs/dbraw/zinc/91/48/63/553914863.db2.gz UHTPXYPFUSSPMB-XMMPIXPASA-N 0 0 506.672 3.985 50 0 KHAARN O=C(NCCc1ccccc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255659 553914908 /nfs/dbraw/zinc/91/49/08/553914908.db2.gz UHTPXYPFUSSPMB-DEOSSOPVSA-N 0 0 506.672 3.985 50 0 KHAARN COc1ccccc1CNC(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255666 553914838 /nfs/dbraw/zinc/91/48/38/553914838.db2.gz JQVOUOGZDKHATO-HSZRJFAPSA-N 0 0 522.671 3.951 50 0 KHAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)C1 ZINC000033255667 553914872 /nfs/dbraw/zinc/91/48/72/553914872.db2.gz JQVOUOGZDKHATO-QHCPKHFHSA-N 0 0 522.671 3.951 50 0 KHAARN COc1cccc(CNC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000033255668 553914869 /nfs/dbraw/zinc/91/48/69/553914869.db2.gz VGZAVUGSLBFRCW-HSZRJFAPSA-N 0 0 522.671 3.951 50 0 KHAARN COc1cccc(CNC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCCCC5)ccc4n3)C2)c1 ZINC000033255669 553914791 /nfs/dbraw/zinc/91/47/91/553914791.db2.gz VGZAVUGSLBFRCW-QHCPKHFHSA-N 0 0 522.671 3.951 50 0 KHAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1 ZINC000033255688 553914884 /nfs/dbraw/zinc/91/48/84/553914884.db2.gz RVSMXQWFNIBLAC-LJQANCHMSA-N 0 0 515.035 3.764 50 0 KHAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCOCC4)ccc3n2)C1 ZINC000033255689 553914890 /nfs/dbraw/zinc/91/48/90/553914890.db2.gz RVSMXQWFNIBLAC-IBGZPJMESA-N 0 0 515.035 3.764 50 0 KHAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1C ZINC000033255692 553914835 /nfs/dbraw/zinc/91/48/35/553914835.db2.gz ONQVPKSFRWQPSV-JOCHJYFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1C ZINC000033255693 553914898 /nfs/dbraw/zinc/91/48/98/553914898.db2.gz ONQVPKSFRWQPSV-QFIPXVFZSA-N 0 0 508.644 3.728 50 0 KHAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1 ZINC000033255694 553914841 /nfs/dbraw/zinc/91/48/41/553914841.db2.gz LINJRGWHTHIXSK-JOCHJYFZSA-N 0 0 508.644 3.673 50 0 KHAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)cc1 ZINC000033255695 553914865 /nfs/dbraw/zinc/91/48/65/553914865.db2.gz LINJRGWHTHIXSK-QFIPXVFZSA-N 0 0 508.644 3.673 50 0 KHAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1 ZINC000033255700 553915183 /nfs/dbraw/zinc/91/51/83/553915183.db2.gz SBIUQQUBNBVYMO-JOCHJYFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1 ZINC000033255701 553915167 /nfs/dbraw/zinc/91/51/67/553915167.db2.gz SBIUQQUBNBVYMO-QFIPXVFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c(C)c1 ZINC000033255702 553915141 /nfs/dbraw/zinc/91/51/41/553915141.db2.gz JAKHXIWUTKEKAU-JOCHJYFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c(C)c1 ZINC000033255703 553915150 /nfs/dbraw/zinc/91/51/50/553915150.db2.gz JAKHXIWUTKEKAU-QFIPXVFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1 ZINC000033255710 553915198 /nfs/dbraw/zinc/91/51/98/553915198.db2.gz PAJRSCUOWOYKMF-JOCHJYFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1 ZINC000033255711 553915262 /nfs/dbraw/zinc/91/52/62/553915262.db2.gz PAJRSCUOWOYKMF-QFIPXVFZSA-N 0 0 508.644 3.728 50 0 KHAARN Cc1nn(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261377 553915967 /nfs/dbraw/zinc/91/59/67/553915967.db2.gz FKOIILNOLBSFLI-UHFFFAOYSA-N 0 0 510.554 3.507 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033263596 553916296 /nfs/dbraw/zinc/91/62/96/553916296.db2.gz CJJOFTNEVWKSEM-CYBMUJFWSA-N 0 0 513.963 3.663 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033263597 553916208 /nfs/dbraw/zinc/91/62/08/553916208.db2.gz CJJOFTNEVWKSEM-ZDUSSCGKSA-N 0 0 513.963 3.663 50 0 KHAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1C ZINC000033263602 553916194 /nfs/dbraw/zinc/91/61/94/553916194.db2.gz FNYGQRVBUVFLTF-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1C ZINC000033263603 553916245 /nfs/dbraw/zinc/91/62/45/553916245.db2.gz FNYGQRVBUVFLTF-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033263604 553916590 /nfs/dbraw/zinc/91/65/90/553916590.db2.gz LRKIDEAATCFMNA-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033263605 553916579 /nfs/dbraw/zinc/91/65/79/553916579.db2.gz LRKIDEAATCFMNA-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033263606 553916596 /nfs/dbraw/zinc/91/65/96/553916596.db2.gz BOLWHQVSYQEZNL-MRXNPFEDSA-N 0 0 507.572 3.572 50 0 KHAARN CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000033263607 553916615 /nfs/dbraw/zinc/91/66/15/553916615.db2.gz BOLWHQVSYQEZNL-INIZCTEOSA-N 0 0 507.572 3.572 50 0 KHAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000033263620 553916638 /nfs/dbraw/zinc/91/66/38/553916638.db2.gz ADTSULGAJVZMSE-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000033263621 553916660 /nfs/dbraw/zinc/91/66/60/553916660.db2.gz ADTSULGAJVZMSE-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c(C)c1 ZINC000033263622 553916644 /nfs/dbraw/zinc/91/66/44/553916644.db2.gz FGDXNHMKARPGAD-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c(C)c1 ZINC000033263623 553916609 /nfs/dbraw/zinc/91/66/09/553916609.db2.gz FGDXNHMKARPGAD-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1C ZINC000033263630 553916629 /nfs/dbraw/zinc/91/66/29/553916629.db2.gz CFZAWPDBCYVDKN-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1C ZINC000033263631 553916653 /nfs/dbraw/zinc/91/66/53/553916653.db2.gz CFZAWPDBCYVDKN-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000033263636 553916602 /nfs/dbraw/zinc/91/66/02/553916602.db2.gz FDBHTNIBCWHFJW-MRXNPFEDSA-N 0 0 507.572 3.627 50 0 KHAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000033263637 553916632 /nfs/dbraw/zinc/91/66/32/553916632.db2.gz FDBHTNIBCWHFJW-INIZCTEOSA-N 0 0 507.572 3.627 50 0 KHAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCCc1c[nH]c2ccccc12 ZINC000033263660 553916627 /nfs/dbraw/zinc/91/66/27/553916627.db2.gz MGWXXPKQUKEPKF-UHFFFAOYSA-N 0 0 516.627 3.873 50 0 KHAARN COc1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccc(C)cc2)CC1 ZINC000033265889 553916988 /nfs/dbraw/zinc/91/69/88/553916988.db2.gz ZMOPWHONEPYKLG-UHFFFAOYSA-N 0 0 512.035 3.897 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000033265948 553916863 /nfs/dbraw/zinc/91/68/63/553916863.db2.gz QXBLYHBSHNTRRQ-NDEPHWFRSA-N 0 0 504.587 3.580 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccccc2)cc1 ZINC000033265949 553916946 /nfs/dbraw/zinc/91/69/46/553916946.db2.gz QXBLYHBSHNTRRQ-MUUNZHRXSA-N 0 0 504.587 3.580 50 0 KHAARN COC(=O)c1ncn2c1C(=O)N(CCc1c[nH]c3ccc(C)cc13)[C@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033266086 553916974 /nfs/dbraw/zinc/91/69/74/553916974.db2.gz ZKWOTHWKHABZPZ-LJAQVGFWSA-N 0 0 513.598 3.541 50 0 KHAARN COC(=O)c1ncn2c1C(=O)N(CCc1c[nH]c3ccc(C)cc13)[C@@](C)(C(=O)NCc1ccc(C)cc1)C2 ZINC000033266087 553916984 /nfs/dbraw/zinc/91/69/84/553916984.db2.gz ZKWOTHWKHABZPZ-GDLZYMKVSA-N 0 0 513.598 3.541 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000033266104 553916980 /nfs/dbraw/zinc/91/69/80/553916980.db2.gz WCVFXZUZGSVGGJ-LJAQVGFWSA-N 0 0 518.614 3.888 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000033266105 553916881 /nfs/dbraw/zinc/91/68/81/553916881.db2.gz WCVFXZUZGSVGGJ-GDLZYMKVSA-N 0 0 518.614 3.888 50 0 KHAARN Cc1ccc2c(c1)c1ncn(Cc3nc(C4CC4)no3)c(=O)c1n2CC(=O)NCc1ccccc1Cl ZINC000033268003 553919340 /nfs/dbraw/zinc/91/93/40/553919340.db2.gz SITSAFZEOVQASX-UHFFFAOYSA-N 0 0 502.962 3.938 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000033273269 553919455 /nfs/dbraw/zinc/91/94/55/553919455.db2.gz XFYYRXZCSHNAFT-UHFFFAOYSA-N 0 0 506.993 3.741 50 0 KHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 ZINC000033273271 553919348 /nfs/dbraw/zinc/91/93/48/553919348.db2.gz IKDKFRJMYOLRJC-UHFFFAOYSA-N 0 0 500.602 3.704 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c(C)c1 ZINC000033273272 553919571 /nfs/dbraw/zinc/91/95/71/553919571.db2.gz DEESGJWCTUREIO-UHFFFAOYSA-N 0 0 500.602 3.704 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1C ZINC000033273273 553919701 /nfs/dbraw/zinc/91/97/01/553919701.db2.gz AWGSWNSJOBKIHG-UHFFFAOYSA-N 0 0 500.602 3.704 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)cc1 ZINC000033273275 553919690 /nfs/dbraw/zinc/91/96/90/553919690.db2.gz IOMMNOWKXFAHIP-UHFFFAOYSA-N 0 0 500.602 3.650 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)s1 ZINC000033273276 553919594 /nfs/dbraw/zinc/91/95/94/553919594.db2.gz ZBZZICDAOJSPIY-UHFFFAOYSA-N 0 0 506.993 3.741 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)s1 ZINC000033273278 553919651 /nfs/dbraw/zinc/91/96/51/553919651.db2.gz KANKURWWFTVPQS-UHFFFAOYSA-N 0 0 506.993 3.741 50 0 KHAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC(c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000033273281 553919716 /nfs/dbraw/zinc/91/97/16/553919716.db2.gz ONMVGNUBXHNBML-UHFFFAOYSA-N 0 0 504.565 3.535 50 0 KHAARN Cc1cc(C)cc(S(=O)(=O)N2CCC(c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)CC2)c1 ZINC000033273286 553919625 /nfs/dbraw/zinc/91/96/25/553919625.db2.gz IPTGOHOWXHDLLS-UHFFFAOYSA-N 0 0 500.602 3.704 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(C(=O)OC)cc1)c(-c1ccccc1)cn2C ZINC000033273938 553919569 /nfs/dbraw/zinc/91/95/69/553919569.db2.gz OUMZOIVFQXCBFP-UHFFFAOYSA-N 0 0 506.584 3.566 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1C(=O)OC)c(-c1ccccc1)cn2C ZINC000033273939 553919636 /nfs/dbraw/zinc/91/96/36/553919636.db2.gz XAAMSANLSPTMAP-UHFFFAOYSA-N 0 0 506.584 3.566 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(OC)c(OC)c1)c(-c1ccccc1)cn2C ZINC000033273940 553919666 /nfs/dbraw/zinc/91/96/66/553919666.db2.gz VMAVHDZPBOCTQP-UHFFFAOYSA-N 0 0 508.600 3.796 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1cc(OC)ccc1OC)c(-c1ccccc1)cn2C ZINC000033273941 553919646 /nfs/dbraw/zinc/91/96/46/553919646.db2.gz VCLRJVNPHNEFMZ-UHFFFAOYSA-N 0 0 508.600 3.796 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc(OC)cc1OC)c(-c1ccccc1)cn2C ZINC000033273942 553919574 /nfs/dbraw/zinc/91/95/74/553919574.db2.gz WYAVMDBGUIRPMG-UHFFFAOYSA-N 0 0 508.600 3.796 50 0 KHAARN COCCn1c(=O)c2c(nc1SCC(=O)Nc1ccc3c(c1)OCCO3)c(-c1ccccc1)cn2C ZINC000033273957 553919590 /nfs/dbraw/zinc/91/95/90/553919590.db2.gz RPEBXAYJKXYFOU-UHFFFAOYSA-N 0 0 506.584 3.550 50 0 KHAARN Cc1cccc(OCc2nc(-c3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3)no2)c1 ZINC000033276859 553919620 /nfs/dbraw/zinc/91/96/20/553919620.db2.gz VXNGUAFMHJTHLI-UHFFFAOYSA-N 0 0 510.616 3.647 50 0 KHAARN COc1ccccc1/C=C/c1nc(-c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2)no1 ZINC000033276860 553919999 /nfs/dbraw/zinc/91/99/99/553919999.db2.gz IZAJLKCQWJOWNB-JLHYYAGUSA-N 0 0 522.627 3.939 50 0 KHAARN CCn1c2cc(NC(=O)c3cccc(Cl)c3)c(S(=O)(=O)c3ccccc3)cc2n(CC)c(=O)c1=O ZINC000033276925 553920041 /nfs/dbraw/zinc/92/00/41/553920041.db2.gz CHEQJSPKZLTEJN-UHFFFAOYSA-N 0 0 511.987 3.942 50 0 KHAARN COCCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(OC)c(OC)c2)no1)OCO3 ZINC000033279810 553919981 /nfs/dbraw/zinc/91/99/81/553919981.db2.gz SJNNREJDBAQUQF-UHFFFAOYSA-N 0 0 512.544 3.521 50 0 KHAARN COCCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2cc(OC)cc(OC)c2)no1)OCO3 ZINC000033279811 553920038 /nfs/dbraw/zinc/92/00/38/553920038.db2.gz BUUMOTKGUTVLLA-UHFFFAOYSA-N 0 0 512.544 3.521 50 0 KHAARN COCCCn1c(=O)c2cc3c(cc2nc1SCc1nc(-c2ccc(OC)cc2OC)no1)OCO3 ZINC000033279812 553920029 /nfs/dbraw/zinc/92/00/29/553920029.db2.gz XEAQAPMYNPVGTR-UHFFFAOYSA-N 0 0 512.544 3.521 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cc(C)cc(C)c3)CC2)cc1 ZINC000033280824 553919992 /nfs/dbraw/zinc/91/99/92/553919992.db2.gz BJNWRIYHYUPUBC-UHFFFAOYSA-N 0 0 518.643 3.502 50 0 KHAARN Cc1ccc2c(n1)n(CC(=O)Nc1ccc(C(N)=O)cc1)cc(-c1nc(-c3ccc(Cl)cc3)no1)c2=O ZINC000033284066 553920018 /nfs/dbraw/zinc/92/00/18/553920018.db2.gz JXFGKFBKRWXEEO-UHFFFAOYSA-N 0 0 514.929 3.813 50 0 KHAARN Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NCc3ccc4c(c3)OCO4)c2n1 ZINC000033284108 553920386 /nfs/dbraw/zinc/92/03/86/553920386.db2.gz APMAFHMXPLRDHG-UHFFFAOYSA-N 0 0 509.522 3.775 50 0 KHAARN COC(=O)c1ccccc1NC(=O)Cn1cc(-c2nc(-c3cccc(F)c3)no2)c(=O)c2ccc(C)nc21 ZINC000033284130 553920349 /nfs/dbraw/zinc/92/03/49/553920349.db2.gz LTAFDLPTUFLDHT-UHFFFAOYSA-N 0 0 513.485 3.986 50 0 KHAARN Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)Nc3ccc(N4CCOCC4)cc3)nn12 ZINC000033315176 553920752 /nfs/dbraw/zinc/92/07/52/553920752.db2.gz UREXCYIPNAFXIH-UHFFFAOYSA-N 0 0 512.545 3.629 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2OC)CC3)cc1 ZINC000033331777 553921186 /nfs/dbraw/zinc/92/11/86/553921186.db2.gz IQCYDBNJLOERRG-UHFFFAOYSA-N 0 0 508.600 3.657 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CN(Cc2cccc(OC)c2)CC3)cc1 ZINC000033331809 553921207 /nfs/dbraw/zinc/92/12/07/553921207.db2.gz QPKFLCSSYHJTMZ-UHFFFAOYSA-N 0 0 508.600 3.657 50 0 KHAARN COc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000033335196 553921564 /nfs/dbraw/zinc/92/15/64/553921564.db2.gz YEJNASGANIHTBI-OCEWKHMESA-N 0 0 511.603 3.891 50 0 KHAARN Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OCCC(C)C ZINC000033345074 553921736 /nfs/dbraw/zinc/92/17/36/553921736.db2.gz SNUIZWLKXMWLLS-BUVRLJJBSA-N 0 0 513.623 3.953 50 0 KHAARN O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O)N1CCOCC1 ZINC000033349513 553922170 /nfs/dbraw/zinc/92/21/70/553922170.db2.gz UPOLFPKJYQAOEK-DEDYPNTBSA-N 0 0 517.401 3.923 50 0 KHAARN CCOC(=O)c1c(C=O)oc2c1c(Br)c(OC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)cc2C ZINC000033353088 553923089 /nfs/dbraw/zinc/92/30/89/553923089.db2.gz CAROBLLZUKGAGW-UHFFFAOYSA-N 0 0 580.409 3.733 50 0 KHAARN O=C(Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000033353336 553924434 /nfs/dbraw/zinc/92/44/34/553924434.db2.gz UVRHZCMXKSKXRD-UHFFFAOYSA-N 0 0 611.746 3.935 50 0 KHAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033353337 553924363 /nfs/dbraw/zinc/92/43/63/553924363.db2.gz JIAWONVLSQYNIF-UHFFFAOYSA-N 0 0 547.120 3.522 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000033353460 553925435 /nfs/dbraw/zinc/92/54/35/553925435.db2.gz PXTZYKZMYDVBHH-RTXJXEIKSA-N 0 0 669.291 3.600 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000033353461 553925427 /nfs/dbraw/zinc/92/54/27/553925427.db2.gz PXTZYKZMYDVBHH-FFMVHGEESA-N 0 0 669.291 3.600 50 0 KHAARN O=C(Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033353533 553925580 /nfs/dbraw/zinc/92/55/80/553925580.db2.gz JEEUGUWGJHAFSM-UHFFFAOYSA-N 0 0 582.704 3.760 50 0 KHAARN COC(=O)C1=CN(CCN2C=C(C(=O)OC)C(c3cccs3)C(C(=O)OC)=C2)C=C(C(=O)OC)C1c1cccs1 ZINC000033353632 553926156 /nfs/dbraw/zinc/92/61/56/553926156.db2.gz WZPDQEQVCWZUMY-UHFFFAOYSA-N 0 0 584.672 3.536 50 0 KHAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000033354065 553928118 /nfs/dbraw/zinc/92/81/18/553928118.db2.gz UOFYGVGZASPHFI-UHFFFAOYSA-N 0 0 574.549 3.948 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000033354164 553928676 /nfs/dbraw/zinc/92/86/76/553928676.db2.gz RVIBPRAXJOBREJ-UBXANZILSA-N 0 0 592.899 3.644 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000033354169 553928694 /nfs/dbraw/zinc/92/86/94/553928694.db2.gz RVIBPRAXJOBREJ-YMFQVDJJSA-N 0 0 592.899 3.644 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000033354173 553928684 /nfs/dbraw/zinc/92/86/84/553928684.db2.gz HEQDGMJRIZODGO-XETPBLJFSA-N 0 0 605.273 3.820 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1cccs1 ZINC000033354177 553928662 /nfs/dbraw/zinc/92/86/62/553928662.db2.gz HEQDGMJRIZODGO-NRUITVPNSA-N 0 0 605.273 3.820 50 0 KHAARN 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Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc5ccccc54)nn32)cc1 ZINC000033355722 553936438 /nfs/dbraw/zinc/93/64/38/553936438.db2.gz GGRDMIMLRHZBBI-UHFFFAOYSA-N 0 0 532.651 3.838 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4ccc(Br)cc4)nn32)cc1 ZINC000033355725 553936747 /nfs/dbraw/zinc/93/67/47/553936747.db2.gz YVESTSNHFXCSHD-UHFFFAOYSA-N 0 0 534.461 3.709 50 0 KHAARN C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)ccc2N1C(=O)C1CC1 ZINC000033355729 553936778 /nfs/dbraw/zinc/93/67/78/553936778.db2.gz OIAGJYCUJVZOBL-HXUWFJFHSA-N 0 0 571.143 3.777 50 0 KHAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)ccc2N1C(=O)C1CC1 ZINC000033355730 553936691 /nfs/dbraw/zinc/93/66/91/553936691.db2.gz OIAGJYCUJVZOBL-FQEVSTJZSA-N 0 0 571.143 3.777 50 0 KHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000033355736 553936771 /nfs/dbraw/zinc/93/67/71/553936771.db2.gz TZZPYDZYUYPVRL-HXUWFJFHSA-N 0 0 537.690 3.582 50 0 KHAARN 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O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)CC1 ZINC000033355787 553936861 /nfs/dbraw/zinc/93/68/61/553936861.db2.gz PNWQMAYEUAHWJK-UHFFFAOYSA-N 0 0 530.448 3.762 50 0 KHAARN Cc1cc2nc(CSc3nc4ccc(NC(=O)CN5C(=O)c6ccccc6C5=O)cc4s3)cc(=O)n2o1 ZINC000033355793 553936876 /nfs/dbraw/zinc/93/68/76/553936876.db2.gz YCXSDZPYSKSNMI-UHFFFAOYSA-N 0 0 531.575 3.733 50 0 KHAARN CC(=O)Oc1ccc(I)cc1C1=NN(C(C)=O)[C@@H](c2cncc(Br)c2)O1 ZINC000033355857 553937608 /nfs/dbraw/zinc/93/76/08/553937608.db2.gz HSXKRQRPCFXZFN-QGZVFWFLSA-N 0 0 530.116 3.613 50 0 KHAARN CC(=O)Oc1ccc(I)cc1C1=NN(C(C)=O)[C@H](c2cncc(Br)c2)O1 ZINC000033355858 553937593 /nfs/dbraw/zinc/93/75/93/553937593.db2.gz HSXKRQRPCFXZFN-KRWDZBQOSA-N 0 0 530.116 3.613 50 0 KHAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)CC1 ZINC000033355871 553937576 /nfs/dbraw/zinc/93/75/76/553937576.db2.gz MRXYGOJGFRHMSA-UHFFFAOYSA-N 0 0 539.654 3.577 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4F)C3)ccc21 ZINC000033355873 553937893 /nfs/dbraw/zinc/93/78/93/553937893.db2.gz SAOGAHLEBPIWFJ-QGZVFWFLSA-N 0 0 538.439 3.927 50 0 KHAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(Br)cc4F)C3)ccc21 ZINC000033355874 553937867 /nfs/dbraw/zinc/93/78/67/553937867.db2.gz SAOGAHLEBPIWFJ-KRWDZBQOSA-N 0 0 538.439 3.927 50 0 KHAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3F)c2=O)cc1 ZINC000033356062 553938625 /nfs/dbraw/zinc/93/86/25/553938625.db2.gz SKXKCKSMYJGBSW-UHFFFAOYSA-N 0 0 597.441 3.518 50 0 KHAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCCSCc1ccccc1 ZINC000033356063 553938646 /nfs/dbraw/zinc/93/86/46/553938646.db2.gz UQLDZUJIZCEFLQ-UHFFFAOYSA-N 0 0 548.709 3.610 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O)NCc1ccco1 ZINC000033356076 553938814 /nfs/dbraw/zinc/93/88/14/553938814.db2.gz UCDWGHKSIUWSSG-UHFFFAOYSA-N 0 0 526.952 3.674 50 0 KHAARN O=C(Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000033356082 553938870 /nfs/dbraw/zinc/93/88/70/553938870.db2.gz YCWFIPFOZJGGSW-UHFFFAOYSA-N 0 0 596.684 3.738 50 0 KHAARN O=C(Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)Nc1ccc(Br)cc1 ZINC000033356084 553938971 /nfs/dbraw/zinc/93/89/71/553938971.db2.gz XARDKJJHIKJIKU-UHFFFAOYSA-N 0 0 562.486 3.702 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356092 553938832 /nfs/dbraw/zinc/93/88/32/553938832.db2.gz PQDRDUSOJBSGSA-UHFFFAOYSA-N 0 0 534.034 3.731 50 0 KHAARN O=C([C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356093 553938879 /nfs/dbraw/zinc/93/88/79/553938879.db2.gz ZSMAIWNQDUNMMW-HSZRJFAPSA-N 0 0 578.510 3.603 50 0 KHAARN O=C([C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356094 553938909 /nfs/dbraw/zinc/93/89/09/553938909.db2.gz ZSMAIWNQDUNMMW-QHCPKHFHSA-N 0 0 578.510 3.603 50 0 KHAARN O=S(=O)(c1cc(Br)c(Br)s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356160 553939564 /nfs/dbraw/zinc/93/95/64/553939564.db2.gz 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539.698 3.880 50 0 KHAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c1)c1cc(Cl)ccc1O2 ZINC000033356233 553939837 /nfs/dbraw/zinc/93/98/37/553939837.db2.gz RRKCNWXDPVVJML-ATIYNZHBSA-N 0 0 541.029 3.730 50 0 KHAARN Cc1cccc2nc(CSC3=Nc4ccccc4C4=N[C@@H](CCC(=O)NCc5ccco5)C(=O)N43)cc(=O)n12 ZINC000033356267 553940085 /nfs/dbraw/zinc/94/00/85/553940085.db2.gz WMMFFBIGUDAYSW-QFIPXVFZSA-N 0 0 540.605 3.584 50 0 KHAARN Cc1cccc2nc(CSC3=Nc4ccccc4C4=N[C@H](CCC(=O)NCc5ccco5)C(=O)N43)cc(=O)n12 ZINC000033356269 553940098 /nfs/dbraw/zinc/94/00/98/553940098.db2.gz WMMFFBIGUDAYSW-JOCHJYFZSA-N 0 0 540.605 3.584 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CS(=O)(=O)Cc3ccc(F)cc3)N4)CC2)c1 ZINC000033356273 553940196 /nfs/dbraw/zinc/94/01/96/553940196.db2.gz FJKNXPHZHGLISS-SANMLTNESA-N 0 0 550.656 3.753 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CS(=O)(=O)Cc3ccc(F)cc3)N4)CC2)c1 ZINC000033356274 553940092 /nfs/dbraw/zinc/94/00/92/553940092.db2.gz FJKNXPHZHGLISS-AREMUKBSSA-N 0 0 550.656 3.753 50 0 KHAARN Cc1ccc(C)c(CS(=O)(=O)C[C@@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)c1 ZINC000033356276 553940165 /nfs/dbraw/zinc/94/01/65/553940165.db2.gz HYIAXHSBBJOJNP-MHZLTWQESA-N 0 0 550.656 3.753 50 0 KHAARN Cc1ccc(C)c(CS(=O)(=O)C[C@H]2Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3NC2=O)c1 ZINC000033356279 553940191 /nfs/dbraw/zinc/94/01/91/553940191.db2.gz HYIAXHSBBJOJNP-HHHXNRCGSA-N 0 0 550.656 3.753 50 0 KHAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NC1CCCCC1 ZINC000033356281 553940108 /nfs/dbraw/zinc/94/01/08/553940108.db2.gz OZECZNJHBJUZIM-SANMLTNESA-N 0 0 572.735 3.956 50 0 KHAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NC1CCCCC1 ZINC000033356283 553940183 /nfs/dbraw/zinc/94/01/83/553940183.db2.gz OZECZNJHBJUZIM-AREMUKBSSA-N 0 0 572.735 3.956 50 0 KHAARN Cc1cccc2nc(CSC3=Nc4ccccc4C4=N[C@@H](CC(=O)NCc5cccs5)C(=O)N43)cc(=O)n12 ZINC000033356286 553940302 /nfs/dbraw/zinc/94/03/02/553940302.db2.gz VAYIQPOJAZIXQE-NRFANRHFSA-N 0 0 542.646 3.663 50 0 KHAARN Cc1cccc2nc(CSC3=Nc4ccccc4C4=N[C@H](CC(=O)NCc5cccs5)C(=O)N43)cc(=O)n12 ZINC000033356288 553940280 /nfs/dbraw/zinc/94/02/80/553940280.db2.gz VAYIQPOJAZIXQE-OAQYLSRUSA-N 0 0 542.646 3.663 50 0 KHAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000033356299 553940294 /nfs/dbraw/zinc/94/02/94/553940294.db2.gz PNPFZMOQMPZGGR-PMERELPUSA-N 0 0 635.794 3.856 50 0 KHAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)N1CCN(c2ccccc2)CC1 ZINC000033356300 553940310 /nfs/dbraw/zinc/94/03/10/553940310.db2.gz PNPFZMOQMPZGGR-SSEXGKCCSA-N 0 0 635.794 3.856 50 0 KHAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)ccc21 ZINC000033356316 553940593 /nfs/dbraw/zinc/94/05/93/553940593.db2.gz VVBNOWAFYAHZOO-MHZLTWQESA-N 0 0 541.629 3.570 50 0 KHAARN O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)ccc21 ZINC000033356317 553940597 /nfs/dbraw/zinc/94/05/97/553940597.db2.gz VVBNOWAFYAHZOO-HHHXNRCGSA-N 0 0 541.629 3.570 50 0 KHAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)N5CCCCCC5)cc4)cc3C2=O)CC1 ZINC000033356329 553940626 /nfs/dbraw/zinc/94/06/26/553940626.db2.gz BORDCMXORZPMES-UHFFFAOYSA-N 0 0 582.679 3.721 50 0 KHAARN Cc1cccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccc4nsnc43)CC2)c1C ZINC000033356361 553940951 /nfs/dbraw/zinc/94/09/51/553940951.db2.gz BPLLQAYUXHUMEP-HSZRJFAPSA-N 0 0 535.695 3.547 50 0 KHAARN Cc1cccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccc4nsnc43)CC2)c1C ZINC000033356362 553940920 /nfs/dbraw/zinc/94/09/20/553940920.db2.gz BPLLQAYUXHUMEP-QHCPKHFHSA-N 0 0 535.695 3.547 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N(CC(=O)N(C)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 ZINC000033356387 553941081 /nfs/dbraw/zinc/94/10/81/553941081.db2.gz YHROJTSBFIPDKF-UHFFFAOYSA-N 0 0 522.377 3.641 50 0 KHAARN Cc1cccc(N2CCN(C(=O)c3cn(C)c4ccc(S(=O)(=O)N5CCCCCC5)cc4c3=O)C[C@H]2C)c1 ZINC000033356388 553941030 /nfs/dbraw/zinc/94/10/30/553941030.db2.gz DMMWUHNRTCYKPR-JOCHJYFZSA-N 0 0 536.698 3.763 50 0 KHAARN Cc1cccc(N2CCN(C(=O)c3cn(C)c4ccc(S(=O)(=O)N5CCCCCC5)cc4c3=O)C[C@@H]2C)c1 ZINC000033356389 553941025 /nfs/dbraw/zinc/94/10/25/553941025.db2.gz DMMWUHNRTCYKPR-QFIPXVFZSA-N 0 0 536.698 3.763 50 0 KHAARN COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000033356405 553940986 /nfs/dbraw/zinc/94/09/86/553940986.db2.gz LQQQNQKPRRCINY-LHEWISCISA-N 0 0 561.104 3.508 50 0 KHAARN COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000033356406 553941145 /nfs/dbraw/zinc/94/11/45/553941145.db2.gz LQQQNQKPRRCINY-KXQOOQHDSA-N 0 0 561.104 3.508 50 0 KHAARN O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCC2(CC1)OCCO2 ZINC000033356446 553941671 /nfs/dbraw/zinc/94/16/71/553941671.db2.gz GSULWEFOONIQGU-UHFFFAOYSA-N 0 0 536.581 3.798 50 0 biogenic KHAARN COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000033356530 553942278 /nfs/dbraw/zinc/94/22/78/553942278.db2.gz XIOMFAALIWDYIN-UHFFFAOYSA-N 0 0 530.533 3.668 50 0 KHAARN COc1ccccc1N1CCN(C(=O)c2c(C)oc3ncnc(N4CCN(c5ccccc5OC)CC4)c32)CC1 ZINC000033356541 553942313 /nfs/dbraw/zinc/94/23/13/553942313.db2.gz ZIPXZTCQCGUJPP-UHFFFAOYSA-N 0 0 542.640 3.837 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccco4)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000033356684 553943625 /nfs/dbraw/zinc/94/36/25/553943625.db2.gz IFNAQYHBFVFCQN-JOCHJYFZSA-N 0 0 548.600 3.956 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccco4)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000033356685 553943591 /nfs/dbraw/zinc/94/35/91/553943591.db2.gz IFNAQYHBFVFCQN-QFIPXVFZSA-N 0 0 548.600 3.956 50 0 KHAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1OC ZINC000033356687 553943628 /nfs/dbraw/zinc/94/36/28/553943628.db2.gz RKNSXYUPZHSEIJ-SFHVURJKSA-N 0 0 566.665 3.887 50 0 KHAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1OC ZINC000033356689 553943638 /nfs/dbraw/zinc/94/36/38/553943638.db2.gz RKNSXYUPZHSEIJ-GOSISDBHSA-N 0 0 566.665 3.887 50 0 KHAARN COc1ccc(S(=O)(=O)N2CC(=O)N(CCc3ccc(SC)cc3)[C@@](C)(C(=O)NC3CCCCC3)C2)cc1 ZINC000033356734 553943965 /nfs/dbraw/zinc/94/39/65/553943965.db2.gz ZACLKVJSCLEJKU-MUUNZHRXSA-N 0 0 559.754 3.700 50 0 KHAARN COc1ccc(S(=O)(=O)N2CC(=O)N(CCc3ccc(SC)cc3)[C@](C)(C(=O)NC3CCCCC3)C2)cc1 ZINC000033356736 553943864 /nfs/dbraw/zinc/94/38/64/553943864.db2.gz ZACLKVJSCLEJKU-NDEPHWFRSA-N 0 0 559.754 3.700 50 0 KHAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccc(SC)cc4)C3)C2)cc1 ZINC000033356748 553944163 /nfs/dbraw/zinc/94/41/63/553944163.db2.gz SIVZCGMZMUGWCY-CLJLJLNGSA-N 0 0 618.891 3.817 50 0 KHAARN CSc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)C2)cc1 ZINC000033356751 553944215 /nfs/dbraw/zinc/94/42/15/553944215.db2.gz SIVZCGMZMUGWCY-WMPKNSHKSA-N 0 0 618.891 3.817 50 0 KHAARN Cc1ccc(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)c(Br)c1 ZINC000033356788 553944521 /nfs/dbraw/zinc/94/45/21/553944521.db2.gz KVOCGDUOWJRVRX-UHFFFAOYSA-N 0 0 533.448 3.527 50 0 KHAARN Cc1sc2ncn(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000033356813 553944549 /nfs/dbraw/zinc/94/45/49/553944549.db2.gz PHOPGMDAOKXUES-UHFFFAOYSA-N 0 0 597.685 3.555 50 0 KHAARN O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)Nc1cccc(Cl)c1 ZINC000033356815 553944798 /nfs/dbraw/zinc/94/47/98/553944798.db2.gz MAAZQWPTGNYINQ-UHFFFAOYSA-N 0 0 555.031 3.944 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356828 553944820 /nfs/dbraw/zinc/94/48/20/553944820.db2.gz OOPJVVHFSUETMB-LOYHVIPDSA-N 0 0 558.654 3.618 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CCN(c3ccccc3F)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356829 553944807 /nfs/dbraw/zinc/94/48/07/553944807.db2.gz OOPJVVHFSUETMB-XZWHSSHBSA-N 0 0 558.654 3.618 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C(=O)NCCN1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356830 553944840 /nfs/dbraw/zinc/94/48/40/553944840.db2.gz OOPJVVHFSUETMB-IHLOFXLRSA-N 0 0 558.654 3.618 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C(=O)NCCN1CCN(c3ccccc3F)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356831 553944809 /nfs/dbraw/zinc/94/48/09/553944809.db2.gz OOPJVVHFSUETMB-KYJUHHDHSA-N 0 0 558.654 3.618 50 0 KHAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCN=C3N3CCN(c4cccc(Cl)c4)CC3)cc2c1C ZINC000033356880 553945063 /nfs/dbraw/zinc/94/50/63/553945063.db2.gz BUHLZAGNQKIRTL-UHFFFAOYSA-N 0 0 531.034 3.754 50 0 KHAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Br)cc3F)c2)CC1 ZINC000033357010 553946021 /nfs/dbraw/zinc/94/60/21/553946021.db2.gz CJJRKAGJOVPBIB-UHFFFAOYSA-N 0 0 531.375 3.943 50 0 KHAARN CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1F ZINC000033357071 553946327 /nfs/dbraw/zinc/94/63/27/553946327.db2.gz OMOGPLXHUKXJLE-UHFFFAOYSA-N 0 0 541.601 3.712 50 0 KHAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1 ZINC000033357132 553946753 /nfs/dbraw/zinc/94/67/53/553946753.db2.gz GKBINBMSSGNPTI-NOZRDPDXSA-N 0 0 628.730 3.769 50 0 KHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c32)CC1 ZINC000033357189 553947177 /nfs/dbraw/zinc/94/71/77/553947177.db2.gz PRIQPFMVRTZEOE-UHFFFAOYSA-N 0 0 621.663 3.943 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1c(F)cccc1Cl ZINC000033357277 1066500097 /nfs/dbraw/zinc/50/00/97/1066500097.db2.gz AIWLILYIGUPOOP-HNNXBMFYSA-N 0 0 524.936 3.539 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(=O)c1c(F)cccc1Cl ZINC000033357280 1066500076 /nfs/dbraw/zinc/50/00/76/1066500076.db2.gz AIWLILYIGUPOOP-OAHLLOKOSA-N 0 0 524.936 3.539 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000033357316 553947723 /nfs/dbraw/zinc/94/77/23/553947723.db2.gz CWELAEOQXGOEFO-AREMUKBSSA-N 0 0 629.724 3.543 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(S(N)(=O)=O)cc4)c(=O)[nH]3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000033357319 553947793 /nfs/dbraw/zinc/94/77/93/553947793.db2.gz CWELAEOQXGOEFO-SANMLTNESA-N 0 0 629.724 3.543 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c(C)c(C(C)=O)sc3n(Cc3cc(=O)n4cc(Cl)ccc4n3)c2=O)cc1 ZINC000033357493 553948662 /nfs/dbraw/zinc/94/86/62/553948662.db2.gz QZVQKSMSSVLLQJ-UHFFFAOYSA-N 0 0 536.997 3.833 50 0 KHAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1cccc(Br)c1 ZINC000033357540 553948968 /nfs/dbraw/zinc/94/89/68/553948968.db2.gz DLRQINXMMRZTCZ-UHFFFAOYSA-N 0 0 559.261 3.859 50 0 KHAARN Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c12 ZINC000033357546 553948915 /nfs/dbraw/zinc/94/89/15/553948915.db2.gz WBZUWOHXSBRHMP-UHFFFAOYSA-N 0 0 556.570 3.781 50 0 KHAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccsc3c(=O)n(CC3CCC(C(=O)NCc4ccccc4)CC3)c2=O)CC1 ZINC000033357555 553948953 /nfs/dbraw/zinc/94/89/53/553948953.db2.gz YPAXQECNSKZJGY-UHFFFAOYSA-N 0 0 629.783 3.705 50 0 KHAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c1)c1cc(Br)ccc1O2 ZINC000033357577 553949353 /nfs/dbraw/zinc/94/93/53/553949353.db2.gz XEAWJFNWBFZTNB-ATIYNZHBSA-N 0 0 585.480 3.839 50 0 KHAARN O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1 ZINC000033357579 553949212 /nfs/dbraw/zinc/94/92/12/553949212.db2.gz FYEVIXKQUSHICZ-UHFFFAOYSA-N 0 0 548.484 3.946 50 0 KHAARN COc1cccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)NCc2ccco2)c1OC ZINC000033357583 553949318 /nfs/dbraw/zinc/94/93/18/553949318.db2.gz AUQMYFRBEKGDLT-UHFFFAOYSA-N 0 0 532.640 3.540 50 0 KHAARN COc1cccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)NCc2ccc3c(c2)OCO3)c1OC ZINC000033357585 553949277 /nfs/dbraw/zinc/94/92/77/553949277.db2.gz HLKATHPFGGGQMJ-UHFFFAOYSA-N 0 0 586.688 3.676 50 0 KHAARN COc1ccc(CN2CCN(C(=O)c3sc4ncn(Cc5cccc(F)c5)c(=O)c4c3C)CC2)c(OC)c1OC ZINC000033357599 553949346 /nfs/dbraw/zinc/94/93/46/553949346.db2.gz GYMRRJSJGRADGB-UHFFFAOYSA-N 0 0 566.655 3.938 50 0 KHAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000033357749 553950629 /nfs/dbraw/zinc/95/06/29/553950629.db2.gz BTUNEZOHQRLSIV-UHFFFAOYSA-N 0 0 560.415 3.850 50 0 KHAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccco1 ZINC000033357788 553950894 /nfs/dbraw/zinc/95/08/94/553950894.db2.gz AGTGXQBBMPAHEK-WIOPSUGQSA-N 0 0 587.658 3.892 50 0 KHAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccco1 ZINC000033357789 553950919 /nfs/dbraw/zinc/95/09/19/553950919.db2.gz AGTGXQBBMPAHEK-DHLKQENFSA-N 0 0 587.658 3.892 50 0 KHAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccco1 ZINC000033357790 553950900 /nfs/dbraw/zinc/95/09/00/553950900.db2.gz AGTGXQBBMPAHEK-RCZVLFRGSA-N 0 0 587.658 3.892 50 0 KHAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc4c(c3)OCO4)C(=O)N21)C(=O)NCc1ccco1 ZINC000033357791 553950970 /nfs/dbraw/zinc/95/09/70/553950970.db2.gz AGTGXQBBMPAHEK-RDGATRHJSA-N 0 0 587.658 3.892 50 0 KHAARN O=C(NCc1ccccc1)C(Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000033357799 553950906 /nfs/dbraw/zinc/95/09/06/553950906.db2.gz KRTGXQKQRKUHQU-QHCPKHFHSA-N 0 0 542.661 3.669 50 0 KHAARN O=C(NCc1ccccc1)C(Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCc1ccccc1 ZINC000033357800 553950930 /nfs/dbraw/zinc/95/09/30/553950930.db2.gz KRTGXQKQRKUHQU-HSZRJFAPSA-N 0 0 542.661 3.669 50 0 KHAARN O=C(c1ccc2c(c1)nc(SCc1cccnc1)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCC2(CC1)OCCO2 ZINC000033357808 553951126 /nfs/dbraw/zinc/95/11/26/553951126.db2.gz QVCSAYHQCQYEDC-UHFFFAOYSA-N 0 0 572.643 3.840 50 0 KHAARN CCOC(=O)N1CCC(n2c(SCC(=O)N3CCN(c4ccccc4OC)CC3)nc3ccccc3c2=O)CC1 ZINC000033357812 553951119 /nfs/dbraw/zinc/95/11/19/553951119.db2.gz PUGGUJDEHVVTGJ-UHFFFAOYSA-N 0 0 565.696 3.639 50 0 KHAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000033357814 553951093 /nfs/dbraw/zinc/95/10/93/553951093.db2.gz LFWHONKWLQSZHD-HXUWFJFHSA-N 0 0 551.452 3.582 50 0 KHAARN CC[C@H](Sc1nc2ccccc2c(=O)n1NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 ZINC000033357815 553951054 /nfs/dbraw/zinc/95/10/54/553951054.db2.gz LFWHONKWLQSZHD-FQEVSTJZSA-N 0 0 551.452 3.582 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)NCCC1=CCCCC1)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000033357826 553951099 /nfs/dbraw/zinc/95/10/99/553951099.db2.gz HGHSJCIAYBZXAF-UHFFFAOYSA-N 0 0 578.691 3.649 50 0 KHAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3nc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000033357834 553951096 /nfs/dbraw/zinc/95/10/96/553951096.db2.gz XONMHXFRTSKKMY-UHFFFAOYSA-N 0 0 606.502 3.884 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000033357854 553951365 /nfs/dbraw/zinc/95/13/65/553951365.db2.gz LODAASHQGHHTIE-GOTSBHOMSA-N 0 0 566.680 3.614 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000033357855 553951439 /nfs/dbraw/zinc/95/14/39/553951439.db2.gz LODAASHQGHHTIE-PKTZIBPZSA-N 0 0 566.680 3.614 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000033357856 553951436 /nfs/dbraw/zinc/95/14/36/553951436.db2.gz LODAASHQGHHTIE-XZOQPEGZSA-N 0 0 566.680 3.614 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000033357857 553951370 /nfs/dbraw/zinc/95/13/70/553951370.db2.gz LODAASHQGHHTIE-DHIUTWEWSA-N 0 0 566.680 3.614 50 0 KHAARN CC[C@@H](Sc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc2c(c1)OCO2)C(=O)NCc1cccnc1 ZINC000033357866 553951430 /nfs/dbraw/zinc/95/14/30/553951430.db2.gz OHRAXJQVOOPFSU-XMMPIXPASA-N 0 0 546.605 3.542 50 0 KHAARN O=C(CSc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)c1ccc(F)cc1 ZINC000033357878 553951644 /nfs/dbraw/zinc/95/16/44/553951644.db2.gz JYCNKCAYZAZJGN-UHFFFAOYSA-N 0 0 574.634 3.978 50 0 KHAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCc1cc(=O)n2cc(Cl)ccc2n1)OCO3)N1CCN(c2ccccc2)CC1 ZINC000033357882 553951701 /nfs/dbraw/zinc/95/17/01/553951701.db2.gz PDPGDWOEMZPQRA-UHFFFAOYSA-N 0 0 631.114 3.818 50 0 KHAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1 ZINC000033357885 553951716 /nfs/dbraw/zinc/95/17/16/553951716.db2.gz YOYRZZASTBAAKK-HHHXNRCGSA-N 0 0 617.684 3.533 50 0 KHAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1 ZINC000033357886 553951663 /nfs/dbraw/zinc/95/16/63/553951663.db2.gz YOYRZZASTBAAKK-MHZLTWQESA-N 0 0 617.684 3.533 50 0 KHAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)N1CCOCC1 ZINC000033357895 553951595 /nfs/dbraw/zinc/95/15/95/553951595.db2.gz NPSCLUSINPMFKF-WJOKGBTCSA-N 0 0 655.777 3.865 50 0 KHAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3)C(=O)N1CCOCC1 ZINC000033357896 553951688 /nfs/dbraw/zinc/95/16/88/553951688.db2.gz NPSCLUSINPMFKF-HKBQPEDESA-N 0 0 655.777 3.865 50 0 KHAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)C1 ZINC000033357901 553951621 /nfs/dbraw/zinc/95/16/21/553951621.db2.gz IYQGTOHHXMUPAE-WOJBJXKFSA-N 0 0 550.681 3.607 50 0 KHAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)C1 ZINC000033357902 553951960 /nfs/dbraw/zinc/95/19/60/553951960.db2.gz IYQGTOHHXMUPAE-BGYRXZFFSA-N 0 0 550.681 3.607 50 0 KHAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2Cc2ccc3c(c2)OCO3)C1 ZINC000033357903 553951990 /nfs/dbraw/zinc/95/19/90/553951990.db2.gz IYQGTOHHXMUPAE-PMACEKPBSA-N 0 0 550.681 3.607 50 0 KHAARN Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)[nH]n2)n[nH]1 ZINC000033357905 553951913 /nfs/dbraw/zinc/95/19/13/553951913.db2.gz UCTYNXOQXZDZSL-UHFFFAOYSA-N 0 0 670.781 3.721 50 0 KHAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3c(sc(=S)n3Cc3ccco3)c(=O)n2-c2ccc(F)cc2)cc1 ZINC000033357944 553952277 /nfs/dbraw/zinc/95/22/77/553952277.db2.gz VLFBRTPLMNCWBA-UHFFFAOYSA-N 0 0 631.758 3.857 50 0 KHAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc(Br)cc2)s1 ZINC000033357970 553952466 /nfs/dbraw/zinc/95/24/66/553952466.db2.gz HTFZNQBGOZYEPX-UHFFFAOYSA-N 0 0 574.486 3.616 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3ccc(OC)cc3)n1C)CCCC2 ZINC000033357973 553952435 /nfs/dbraw/zinc/95/24/35/553952435.db2.gz LOJJIZOJQNUYNU-UHFFFAOYSA-N 0 0 543.671 3.602 50 0 KHAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 ZINC000033358010 553952755 /nfs/dbraw/zinc/95/27/55/553952755.db2.gz RDNMEFXBWYAUNV-SANMLTNESA-N 0 0 570.639 3.682 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2 ZINC000033358011 553952734 /nfs/dbraw/zinc/95/27/34/553952734.db2.gz RDNMEFXBWYAUNV-AREMUKBSSA-N 0 0 570.639 3.682 50 0 KHAARN COc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)cc1 ZINC000033358095 553953093 /nfs/dbraw/zinc/95/30/93/553953093.db2.gz XAYBGZWXMSUFMR-UHFFFAOYSA-N 0 0 594.723 3.638 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)CC1 ZINC000033358121 553953163 /nfs/dbraw/zinc/95/31/63/553953163.db2.gz DSTCENLOVPXIPM-BVAGGSTKSA-N 0 0 661.781 3.647 50 0 KHAARN COc1cc(C(=O)Nc2cc(C(=O)N3CCCC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000033358135 553953046 /nfs/dbraw/zinc/95/30/46/553953046.db2.gz YWCZDRZHKNQJHN-OFNKIYASSA-N 0 0 572.662 3.986 50 0 KHAARN COC(=O)c1cc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccncc3)c2)cc(C(=O)OC)c1 ZINC000033358142 553953143 /nfs/dbraw/zinc/95/31/43/553953143.db2.gz DXWWQIYOBBXWHL-NLFFAJNJSA-N 0 0 621.650 3.945 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccncc3)c2)CC1 ZINC000033358157 553953368 /nfs/dbraw/zinc/95/33/68/553953368.db2.gz SAJJXTKVMRWVAR-BWKNWUBXSA-N 0 0 569.662 3.535 50 0 KHAARN COc1ccc(Br)c(C(=O)Nc2cc(C(=O)N3CCN(C(C)=O)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000033358192 553953596 /nfs/dbraw/zinc/95/35/96/553953596.db2.gz DDGHXZVDUSVFLN-GGAORHGYSA-N 0 0 648.558 3.800 50 0 KHAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCCN4CCOCC4)c(Cl)c3n2)cc1OC ZINC000033358360 553954775 /nfs/dbraw/zinc/95/47/75/553954775.db2.gz SRMLUZWJGHBUCB-UHFFFAOYSA-N 0 0 527.931 3.538 50 0 KHAARN COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\NS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000033358680 553957296 /nfs/dbraw/zinc/95/72/96/553957296.db2.gz CXLVAKBWIOSITF-SGEDCAFJSA-N 0 0 534.550 3.970 50 0 KHAARN Cn1ccc2cc(NC(=O)C(C)(C)N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)ccc21 ZINC000033362781 553957581 /nfs/dbraw/zinc/95/75/81/553957581.db2.gz MLUGUHCMGWEWAH-UHFFFAOYSA-N 0 0 509.566 3.615 50 0 KHAARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000033368104 1066500737 /nfs/dbraw/zinc/50/07/37/1066500737.db2.gz QTBOGJNRTXEOPC-QBFSEMIESA-N 0 0 517.007 3.588 50 0 KHAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000033371279 553957569 /nfs/dbraw/zinc/95/75/69/553957569.db2.gz BERNWHATBGOALA-HMAPJEAMSA-N 0 0 502.502 3.683 50 0 KHAARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000033452641 1066500628 /nfs/dbraw/zinc/50/06/28/1066500628.db2.gz QSRDOIWVLZCXLS-NTMALXAHSA-N 0 0 510.934 3.569 50 0 KHAARN COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O ZINC000033454382 553960788 /nfs/dbraw/zinc/96/07/88/553960788.db2.gz WHMFCZIUURZOLP-LICLKQGHSA-N 0 0 505.346 3.676 50 0 KHAARN O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1cccnc1)C1(C(=O)Nc2ccc(F)cc2)CCCC1 ZINC000033469822 553960727 /nfs/dbraw/zinc/96/07/27/553960727.db2.gz DJPYTGQAXBFQSO-UHFFFAOYSA-N 0 0 500.530 3.797 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)CC(C)(C)C)cc1OC ZINC000033475367 553961022 /nfs/dbraw/zinc/96/10/22/553961022.db2.gz UHHHDCOYPAIUFZ-UHFFFAOYSA-N 0 0 543.705 3.774 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1OC ZINC000033475464 553960946 /nfs/dbraw/zinc/96/09/46/553960946.db2.gz BVSCZUYDAWDFOD-UHFFFAOYSA-N 0 0 541.689 3.528 50 0 KHAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000033480927 553961026 /nfs/dbraw/zinc/96/10/26/553961026.db2.gz HAYFIUDGHFYWJN-VAZXNAHHSA-N 0 0 508.644 3.986 50 0 KHAARN COc1ccc(/C=C\C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033481081 1066500475 /nfs/dbraw/zinc/50/04/75/1066500475.db2.gz HZUFNQYNABJFLH-ZHKVRBCESA-N 0 0 524.683 3.971 50 0 KHAARN COc1ccc(/C=C\C(=O)N[C@H](CCSC)C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033481085 1066500383 /nfs/dbraw/zinc/50/03/83/1066500383.db2.gz HZUFNQYNABJFLH-MLPQPIHFSA-N 0 0 524.683 3.971 50 0 KHAARN COc1cc(/C=C\C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000033481905 553961266 /nfs/dbraw/zinc/96/12/66/553961266.db2.gz VBPUGHPKQLYUTC-PTNGSMBKSA-N 0 0 520.607 3.769 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(C)C ZINC000033490447 1066500613 /nfs/dbraw/zinc/50/06/13/1066500613.db2.gz HNMITAUUPLMKEC-DEMHQBCASA-N 0 0 519.689 3.723 50 0 KHAARN O=C(C=Cc1ccc(OC(F)F)cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000033490534 1066500759 /nfs/dbraw/zinc/50/07/59/1066500759.db2.gz SWZZIVLFWZUGPP-YFHOEESVSA-N 0 0 500.571 3.822 50 0 KHAARN COc1ccc(/C=C\C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000033491759 1066500648 /nfs/dbraw/zinc/50/06/48/1066500648.db2.gz NLOMXPSUFKYGKP-RZNTYIFUSA-N 0 0 523.611 3.993 50 0 KHAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000033497072 553961191 /nfs/dbraw/zinc/96/11/91/553961191.db2.gz WEXUYLAVZMJNTA-LLSVEFBUSA-N 0 0 516.642 3.991 50 0 KHAARN COc1cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000033497230 1066500486 /nfs/dbraw/zinc/50/04/86/1066500486.db2.gz RCORBPJGOFTFAV-VDTUPGDHSA-N 0 0 524.542 3.665 50 0 KHAARN COc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000033497231 1066500674 /nfs/dbraw/zinc/50/06/74/1066500674.db2.gz RCORBPJGOFTFAV-NCALTVRCSA-N 0 0 524.542 3.665 50 0 KHAARN CN(c1ccc(OCC(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000033574067 1066500699 /nfs/dbraw/zinc/50/06/99/1066500699.db2.gz ZMRZUQROGBIKNR-UITAMQMPSA-N 0 0 511.669 3.810 50 0 KHAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000033581244 553963255 /nfs/dbraw/zinc/96/32/55/553963255.db2.gz IEKNZGYFYSDMLS-UEXGIBASSA-N 0 0 502.873 3.712 50 0 KHAARN CCOC(=O)[C@@H]1[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000033581246 553963124 /nfs/dbraw/zinc/96/31/24/553963124.db2.gz IEKNZGYFYSDMLS-WFXMLNOXSA-N 0 0 502.873 3.712 50 0 KHAARN CC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc1)C(=O)CO2 ZINC000033583598 553963529 /nfs/dbraw/zinc/96/35/29/553963529.db2.gz VPOCIWUZGIVBGG-UHFFFAOYSA-N 0 0 527.577 3.502 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000033623156 1066882410 /nfs/dbraw/zinc/88/24/10/1066882410.db2.gz BYVNGJMHRPJMCV-QCHPHUCNSA-N 0 0 504.637 3.662 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000033623158 1066882297 /nfs/dbraw/zinc/88/22/97/1066882297.db2.gz BYVNGJMHRPJMCV-VZIOXZNFSA-N 0 0 504.637 3.662 50 0 KHAARN CC(=O)O[C@@H]1O[C@H](CC(=O)Oc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000033623919 553964899 /nfs/dbraw/zinc/96/48/99/553964899.db2.gz IKXXMPRNIHZCTF-KEHCTXMOSA-N 0 0 504.491 3.721 50 0 KHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)Cc2ccccc2)o1 ZINC000033645727 553965635 /nfs/dbraw/zinc/96/56/35/553965635.db2.gz CILSTGJKHCPGBW-UHFFFAOYSA-N 0 0 503.643 3.563 50 0 KHAARN COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000033646354 553965661 /nfs/dbraw/zinc/96/56/61/553965661.db2.gz HHUKTCJBFUJKGD-JMMZKRSASA-N 0 0 509.628 3.964 50 0 KHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000033657909 1066500506 /nfs/dbraw/zinc/50/05/06/1066500506.db2.gz WPEPAZHSJGRFTD-LUAWRHEFSA-N 0 0 516.572 3.639 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)cc1 ZINC000033659084 553966471 /nfs/dbraw/zinc/96/64/71/553966471.db2.gz DCFWAMGZLJAOTM-XUJYPJAKSA-N 0 0 523.545 3.775 50 0 KHAARN O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CCN(c2ncccn2)CC1 ZINC000033661643 553966801 /nfs/dbraw/zinc/96/68/01/553966801.db2.gz BGGFWAXGLWZYBA-UHFFFAOYSA-N 0 0 517.036 3.988 50 0 KHAARN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000033664294 553966747 /nfs/dbraw/zinc/96/67/47/553966747.db2.gz SJAICPIJHQYWNY-UHFFFAOYSA-N 0 0 527.687 3.665 50 0 KHAARN CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1)C(=O)CO2 ZINC000033665492 553967013 /nfs/dbraw/zinc/96/70/13/553967013.db2.gz KJMULPQXBYJGHD-UHFFFAOYSA-N 0 0 527.577 3.502 50 0 KHAARN COc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1S(=O)(=O)N1CCOCC1 ZINC000033676978 1066500575 /nfs/dbraw/zinc/50/05/75/1066500575.db2.gz SEONDLCRVLALLI-OQFOIZHKSA-N 0 0 503.577 3.631 50 0 KHAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1 ZINC000033692457 553968397 /nfs/dbraw/zinc/96/83/97/553968397.db2.gz JJJFPGOYLDDOGW-MRXNPFEDSA-N 0 0 506.679 3.718 50 0 KHAARN CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1 ZINC000033692459 553968494 /nfs/dbraw/zinc/96/84/94/553968494.db2.gz JJJFPGOYLDDOGW-INIZCTEOSA-N 0 0 506.679 3.718 50 0 KHAARN O=C(CSc1ccc2ccccc2c1Br)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000033696547 553968818 /nfs/dbraw/zinc/96/88/18/553968818.db2.gz CQZQKUCCHSLOAQ-UHFFFAOYSA-N 0 0 517.401 3.815 50 0 KHAARN CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000033705998 553969290 /nfs/dbraw/zinc/96/92/90/553969290.db2.gz INTHOROVWBKNAO-HTCWXMLHSA-N 0 0 530.463 3.786 50 0 biogenic KHAARN CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000033706000 553969495 /nfs/dbraw/zinc/96/94/95/553969495.db2.gz INTHOROVWBKNAO-DMOSHBFOSA-N 0 0 530.463 3.786 50 0 biogenic KHAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000033709648 1066501214 /nfs/dbraw/zinc/50/12/14/1066501214.db2.gz RXSPHUZGFAMTJH-YPKPFQOOSA-N 0 0 510.550 3.673 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000033717379 553970123 /nfs/dbraw/zinc/97/01/23/553970123.db2.gz GMNXHIZCQNEFIG-HMMYKYKNSA-N 0 0 502.577 3.914 50 0 KHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2C)o1 ZINC000033717597 553970186 /nfs/dbraw/zinc/97/01/86/553970186.db2.gz IWYWXFIYOVKMFS-UHFFFAOYSA-N 0 0 503.643 3.942 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(F)c(F)c(F)c3F)C2=O)cc(OC)c1OC ZINC000033718635 553970177 /nfs/dbraw/zinc/97/01/77/553970177.db2.gz ORXDGANBLDJLNE-OVCLIPMQSA-N 0 0 514.453 3.735 50 0 KHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)CCc2ccccc2)o1 ZINC000033730759 553970765 /nfs/dbraw/zinc/97/07/65/553970765.db2.gz RDDSKLVBUVGVTC-UHFFFAOYSA-N 0 0 517.670 3.953 50 0 KHAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000033741702 553971598 /nfs/dbraw/zinc/97/15/98/553971598.db2.gz XGKBJJIQBQETHD-UHFFFAOYSA-N 0 0 524.614 3.867 50 0 KHAARN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCc1ccccc1F ZINC000033779151 553973230 /nfs/dbraw/zinc/97/32/30/553973230.db2.gz GWYLRTXQFBVHAI-HYARGMPZSA-N 0 0 500.548 3.699 50 0 KHAARN O=C(N[C@H]1CCCCNC1=O)c1csc(CSc2nnc(-c3ccco3)n2-c2ccccc2F)n1 ZINC000033782193 553973484 /nfs/dbraw/zinc/97/34/84/553973484.db2.gz HFPJJILIWDYFHY-HNNXBMFYSA-N 0 0 512.592 3.814 50 0 KHAARN CCOc1cc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OC ZINC000033784576 553973490 /nfs/dbraw/zinc/97/34/90/553973490.db2.gz NUFZTYSZLAXKIS-MHWRWJLKSA-N 0 0 510.353 3.969 50 0 KHAARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)c1cc(OC)cc(OC)c1 ZINC000033826765 553974719 /nfs/dbraw/zinc/97/47/19/553974719.db2.gz VZARAZPAADYYHX-UHFFFAOYSA-N 0 0 526.611 3.812 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 ZINC000033887227 553976017 /nfs/dbraw/zinc/97/60/17/553976017.db2.gz QSRZSLYWNRMGRT-XSFVSMFZSA-N 0 0 522.048 3.837 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000033922227 553976596 /nfs/dbraw/zinc/97/65/96/553976596.db2.gz XGXLUHSOZUBQOY-FNUHDPNESA-N 0 0 514.962 3.516 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000033922228 553976642 /nfs/dbraw/zinc/97/66/42/553976642.db2.gz XGXLUHSOZUBQOY-PZDOZLBDSA-N 0 0 514.962 3.516 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 ZINC000033924579 553976798 /nfs/dbraw/zinc/97/67/98/553976798.db2.gz NUALRSAPABLZSJ-ATVHPVEESA-N 0 0 506.403 3.568 50 0 KHAARN N[S@](=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000034132533 1066503435 /nfs/dbraw/zinc/50/34/35/1066503435.db2.gz MMXOMFSKLMJQHL-SUMNFNSASA-N 0 0 500.260 3.734 50 0 KHAARN N[S@](=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000034132535 1066503881 /nfs/dbraw/zinc/50/38/81/1066503881.db2.gz MMXOMFSKLMJQHL-POXGOYDTSA-N 0 0 500.260 3.734 50 0 KHAARN N[S@@](=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000034132536 1066503727 /nfs/dbraw/zinc/50/37/27/1066503727.db2.gz MMXOMFSKLMJQHL-GMYLUUGSSA-N 0 0 500.260 3.734 50 0 KHAARN N[S@@](=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1 ZINC000034132538 1066503767 /nfs/dbraw/zinc/50/37/67/1066503767.db2.gz MMXOMFSKLMJQHL-HJFSHJIFSA-N 0 0 500.260 3.734 50 0 KHAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000034138679 553980896 /nfs/dbraw/zinc/98/08/96/553980896.db2.gz XCWPUEYZCOKAPT-UHFFFAOYSA-N 0 0 511.604 3.611 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc2)c(OC)c1 ZINC000034667740 553982050 /nfs/dbraw/zinc/98/20/50/553982050.db2.gz BHQJNWRDXSMVOH-UHFFFAOYSA-N 0 0 510.978 3.732 50 0 KHAARN CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000034676597 553982977 /nfs/dbraw/zinc/98/29/77/553982977.db2.gz WGPBWXJQWUCGSB-UHFFFAOYSA-N 0 0 500.647 3.775 50 0 KHAARN CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000034676713 553982961 /nfs/dbraw/zinc/98/29/61/553982961.db2.gz ZOOJNBRJGBLJFP-UHFFFAOYSA-N 0 0 502.585 3.682 50 0 KHAARN CC1CCN(c2nc(N3CCN(C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000034676721 553983027 /nfs/dbraw/zinc/98/30/27/553983027.db2.gz MKRZMTSKOPMKCR-UHFFFAOYSA-N 0 0 502.585 3.682 50 0 KHAARN CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)nc2c1CN(C(=O)COc1ccccc1)CC2 ZINC000034676769 553982893 /nfs/dbraw/zinc/98/28/93/553982893.db2.gz MAPTUKHEQFDKCJ-UHFFFAOYSA-N 0 0 500.647 3.612 50 0 KHAARN Cc1ccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000034676835 553983136 /nfs/dbraw/zinc/98/31/36/553983136.db2.gz RTYXOXYKTSZYGY-UHFFFAOYSA-N 0 0 514.051 3.730 50 0 KHAARN COc1ccc(CN2CCN(Cc3nc(C(=O)Nc4ccc(Cl)cc4)co3)CC2)c(OC)c1OC ZINC000034678303 553983906 /nfs/dbraw/zinc/98/39/06/553983906.db2.gz CQOKMQXMMFLHFD-UHFFFAOYSA-N 0 0 500.983 3.924 50 0 KHAARN COc1ccccc1CCNC(=O)c1coc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034678325 553984049 /nfs/dbraw/zinc/98/40/49/553984049.db2.gz ZYELZUPXHRENIS-UHFFFAOYSA-N 0 0 502.537 3.992 50 0 KHAARN COc1ccccc1CCNC(=O)c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034678343 553984076 /nfs/dbraw/zinc/98/40/76/553984076.db2.gz TYMQIZOTQXXAGO-UHFFFAOYSA-N 0 0 502.537 3.992 50 0 KHAARN O=C(c1coc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(Cc2ccccc2)CC1 ZINC000034678358 553983889 /nfs/dbraw/zinc/98/38/89/553983889.db2.gz OVYJBSQZUDUERA-UHFFFAOYSA-N 0 0 527.591 3.969 50 0 KHAARN O=C(c1coc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678395 553984084 /nfs/dbraw/zinc/98/40/84/553984084.db2.gz XHJNGIIMIUSNLY-UHFFFAOYSA-N 0 0 513.564 3.974 50 0 KHAARN CC[C@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2cc(F)cc(F)c2)CC1)c1ccccc1 ZINC000034678549 553983860 /nfs/dbraw/zinc/98/38/60/553983860.db2.gz JEPQQKSXEBHXPV-QFIPXVFZSA-N 0 0 507.541 3.922 50 0 KHAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2cc(F)cc(F)c2)CC1)c1ccccc1 ZINC000034678550 553983988 /nfs/dbraw/zinc/98/39/88/553983988.db2.gz JEPQQKSXEBHXPV-JOCHJYFZSA-N 0 0 507.541 3.922 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc1)c1ccc2c(c1)OCO2 ZINC000034680602 553984254 /nfs/dbraw/zinc/98/42/54/553984254.db2.gz SKQNZAHNXVFBDR-UHFFFAOYSA-N 0 0 509.360 3.788 50 0 KHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)nc1 ZINC000034681433 553985001 /nfs/dbraw/zinc/98/50/01/553985001.db2.gz YKFBRPGHFKGWJF-UHFFFAOYSA-N 0 0 501.008 3.654 50 0 KHAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 ZINC000034681435 553985033 /nfs/dbraw/zinc/98/50/33/553985033.db2.gz KIFKUUPLMIDDSU-UHFFFAOYSA-N 0 0 518.998 3.793 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(N3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2)c(OC)c1 ZINC000034681446 553985098 /nfs/dbraw/zinc/98/50/98/553985098.db2.gz ZMODMAVFJOXYGJ-UHFFFAOYSA-N 0 0 510.616 3.561 50 0 KHAARN O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034684343 553986643 /nfs/dbraw/zinc/98/66/43/553986643.db2.gz UWUXPPLVPKYBDV-UHFFFAOYSA-N 0 0 502.493 3.670 50 0 KHAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3c(c2)OCO3)c1)NCCCN1CCOCC1 ZINC000034685507 553986715 /nfs/dbraw/zinc/98/67/15/553986715.db2.gz LHZBAKQCXUDPLF-UHFFFAOYSA-N 0 0 515.610 3.643 50 0 KHAARN Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCCN3CCOCC3)c2)cc1 ZINC000034685519 553986631 /nfs/dbraw/zinc/98/66/31/553986631.db2.gz SGQAPACCQPEJRS-UHFFFAOYSA-N 0 0 515.610 3.562 50 0 KHAARN Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCCCN3CCOCC3)c2)cc1 ZINC000034685520 553986651 /nfs/dbraw/zinc/98/66/51/553986651.db2.gz MTJHYVPPTRKTKP-UHFFFAOYSA-N 0 0 529.637 3.952 50 0 KHAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CCN(CCOC)CC3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034685595 553987014 /nfs/dbraw/zinc/98/70/14/553987014.db2.gz GSUOTVVOKBAQJW-YTMVLYRLSA-N 0 0 507.675 3.827 50 0 KHAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCN(CCOC)CC3)cc2[C@@H]1c1ccc(C)cc1 ZINC000034685596 553987000 /nfs/dbraw/zinc/98/70/00/553987000.db2.gz GSUOTVVOKBAQJW-PXJZQJOASA-N 0 0 507.675 3.827 50 0 KHAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)N3CCN(CCOC)CC3)cc2[C@H]1c1ccc(C)cc1 ZINC000034685597 553986994 /nfs/dbraw/zinc/98/69/94/553986994.db2.gz GSUOTVVOKBAQJW-LMSSTIIKSA-N 0 0 507.675 3.827 50 0 KHAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)N3CCN(CCOC)CC3)cc2[C@H]1c1ccc(C)cc1 ZINC000034685598 553986959 /nfs/dbraw/zinc/98/69/59/553986959.db2.gz GSUOTVVOKBAQJW-XRKRLSELSA-N 0 0 507.675 3.827 50 0 KHAARN COCCN1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685695 553987405 /nfs/dbraw/zinc/98/74/05/553987405.db2.gz TXIQAXSFKOTJRE-MUAVYFROSA-N 0 0 531.653 3.934 50 0 KHAARN COCCN1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685696 553987345 /nfs/dbraw/zinc/98/73/45/553987345.db2.gz TXIQAXSFKOTJRE-IADCTJSHSA-N 0 0 531.653 3.934 50 0 KHAARN COCCN1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685697 553987332 /nfs/dbraw/zinc/98/73/32/553987332.db2.gz TXIQAXSFKOTJRE-RNWIMVQKSA-N 0 0 531.653 3.934 50 0 KHAARN COCCN1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2cccc(C)c2)N(C(=O)c2ccco2)CC3)CC1 ZINC000034685698 553987389 /nfs/dbraw/zinc/98/73/89/553987389.db2.gz TXIQAXSFKOTJRE-BTYSJIOQSA-N 0 0 531.653 3.934 50 0 KHAARN CC[C@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CCN(CCOC)CC1 ZINC000034685723 553987764 /nfs/dbraw/zinc/98/77/64/553987764.db2.gz CYJNNWLHEPIATR-VMPREFPWSA-N 0 0 519.686 3.827 50 0 KHAARN CC[C@@H](Oc1ccc2c(c1)[C@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CCN(CCOC)CC1 ZINC000034685724 553987661 /nfs/dbraw/zinc/98/76/61/553987661.db2.gz CYJNNWLHEPIATR-WDYNHAJCSA-N 0 0 519.686 3.827 50 0 KHAARN CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CCN(CCOC)CC1 ZINC000034685725 553987734 /nfs/dbraw/zinc/98/77/34/553987734.db2.gz CYJNNWLHEPIATR-URLMMPGGSA-N 0 0 519.686 3.827 50 0 KHAARN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1cccc(C)c1)N(C(=O)C1CC1)CC2)C(=O)N1CCN(CCOC)CC1 ZINC000034685726 553987685 /nfs/dbraw/zinc/98/76/85/553987685.db2.gz CYJNNWLHEPIATR-FQLXRVMXSA-N 0 0 519.686 3.827 50 0 KHAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000034686207 553987946 /nfs/dbraw/zinc/98/79/46/553987946.db2.gz HCXZSWPVPWFKQH-JOCHJYFZSA-N 0 0 520.457 3.617 50 0 KHAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000034686208 553987957 /nfs/dbraw/zinc/98/79/57/553987957.db2.gz HCXZSWPVPWFKQH-QFIPXVFZSA-N 0 0 520.457 3.617 50 0 KHAARN COc1cc(/C=C\C(=O)Nc2ccc3c(c2)OCO3)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000034690098 1066189236 /nfs/dbraw/zinc/18/92/36/1066189236.db2.gz WCRQHWVIVYPHAW-YFHOEESVSA-N 0 0 508.552 3.836 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@H](CN3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692103 553989948 /nfs/dbraw/zinc/98/99/48/553989948.db2.gz KGXGPYYSBDNSER-HSZRJFAPSA-N 0 0 520.552 3.795 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@@H](CN3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692104 553990043 /nfs/dbraw/zinc/99/00/43/553990043.db2.gz KGXGPYYSBDNSER-QHCPKHFHSA-N 0 0 520.552 3.795 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@H](CN3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692177 553990004 /nfs/dbraw/zinc/99/00/04/553990004.db2.gz MXRCYWVJKUPSSO-HHHXNRCGSA-N 0 0 502.615 3.929 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@@H](CN3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692178 553990106 /nfs/dbraw/zinc/99/01/06/553990106.db2.gz MXRCYWVJKUPSSO-MHZLTWQESA-N 0 0 502.615 3.929 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@H](CN3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692187 553990410 /nfs/dbraw/zinc/99/04/10/553990410.db2.gz FGKSUQXKQHQNOB-RUZDIDTESA-N 0 0 502.615 3.929 50 0 KHAARN COc1cccc(NC(=O)N2CCO[C@@H](CN3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692188 553990433 /nfs/dbraw/zinc/99/04/33/553990433.db2.gz FGKSUQXKQHQNOB-VWLOTQADSA-N 0 0 502.615 3.929 50 0 KHAARN O=c1c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(F)cc2F)c(=O)n1C[C@@H]1CCCO1 ZINC000034692663 553990620 /nfs/dbraw/zinc/99/06/20/553990620.db2.gz VPKUKKVOJXRDCP-KRWDZBQOSA-N 0 0 506.431 3.873 50 0 KHAARN O=c1c2c(ncn2Cc2ccc(C(F)(F)F)cc2)n(-c2ccc(F)cc2F)c(=O)n1C[C@H]1CCCO1 ZINC000034692664 553990616 /nfs/dbraw/zinc/99/06/16/553990616.db2.gz VPKUKKVOJXRDCP-QGZVFWFLSA-N 0 0 506.431 3.873 50 0 KHAARN COc1ccccc1-n1c2ncn(CC(=O)c3ccc(Cl)cc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000034693559 553990635 /nfs/dbraw/zinc/99/06/35/553990635.db2.gz BFUMRTNCZWBOOO-UHFFFAOYSA-N 0 0 500.942 3.942 50 0 KHAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(Cc2ccccc2F)c(=O)n3-c2ccc(F)cc2)cc1 ZINC000034694479 553990938 /nfs/dbraw/zinc/99/09/38/553990938.db2.gz KXIDFSFTSMESLD-UHFFFAOYSA-N 0 0 502.477 3.510 50 0 KHAARN COC(=O)c1ccc(Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(Cl)cc2)o1 ZINC000034694497 553990934 /nfs/dbraw/zinc/99/09/34/553990934.db2.gz VDRXEBLUKLNFDQ-UHFFFAOYSA-N 0 0 504.930 3.673 50 0 KHAARN COc1cccc(-n2c3ncn(CC(=O)c4ccc(F)c(F)c4)c3c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000034695042 553990916 /nfs/dbraw/zinc/99/09/16/553990916.db2.gz KFKZAKFRYXRZDU-UHFFFAOYSA-N 0 0 502.477 3.567 50 0 KHAARN O=C(c1ccc2c(c1)OCO2)N1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034700526 553992870 /nfs/dbraw/zinc/99/28/70/553992870.db2.gz ONPIBKGXVZUQST-UHFFFAOYSA-N 0 0 506.566 3.950 50 0 KHAARN CCOc1ccc(C(=O)N[C@H](C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)C(C)C)cc1 ZINC000034702097 553993062 /nfs/dbraw/zinc/99/30/62/553993062.db2.gz QCOMPRJXSOHFBX-VAZXNAHHSA-N 0 0 513.591 3.832 50 0 KHAARN COc1cc(C=CC(=O)OCC(=O)c2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000034704032 1066839424 /nfs/dbraw/zinc/83/94/24/1066839424.db2.gz CEUSDLKQGBNWAV-SEYXRHQNSA-N 0 0 507.564 3.895 50 0 KHAARN O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Br)s1 ZINC000034706307 553993439 /nfs/dbraw/zinc/99/34/39/553993439.db2.gz APBDXLGALPFWGS-UHFFFAOYSA-N 0 0 510.229 3.546 50 0 KHAARN COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(C(=O)Cc5cccc(OC)c5)CC4)n23)cc1 ZINC000034707189 553993714 /nfs/dbraw/zinc/99/37/14/553993714.db2.gz QWWFXSNCCPNPBE-UHFFFAOYSA-N 0 0 508.582 3.853 50 0 KHAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034707796 553993877 /nfs/dbraw/zinc/99/38/77/553993877.db2.gz XDWJRVRGXHKWGC-UHFFFAOYSA-N 0 0 516.602 3.908 50 0 KHAARN COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)n23)cc1 ZINC000034707863 553993947 /nfs/dbraw/zinc/99/39/47/553993947.db2.gz KOIQCJHGFSJDBH-UHFFFAOYSA-N 0 0 514.611 3.772 50 0 KHAARN COc1ccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5cccc(C)c5)CC4)n23)cc1 ZINC000034707864 553993925 /nfs/dbraw/zinc/99/39/25/553993925.db2.gz LZWQGQBQQXDHIQ-UHFFFAOYSA-N 0 0 514.611 3.772 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 ZINC000034709774 553994571 /nfs/dbraw/zinc/99/45/71/553994571.db2.gz RIBQIZJIHCNBJA-TZRRMPRUSA-N 0 0 508.615 3.751 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccccc3)CN(C(=O)c3ccc(OC)c(OC)c3)C2)C1 ZINC000034709776 553994455 /nfs/dbraw/zinc/99/44/55/553994455.db2.gz RIBQIZJIHCNBJA-SGNDLWITSA-N 0 0 508.615 3.751 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccc(OC)c(OC)c3)CN(C(=O)C3CCCC3)C2)C1 ZINC000034710050 553994588 /nfs/dbraw/zinc/99/45/88/553994588.db2.gz WYEFSLOWRSXJBF-XPWALMASSA-N 0 0 500.636 3.628 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccc(OC)c(OC)c3)CN(C(=O)C3CCCC3)C2)C1 ZINC000034710052 553994409 /nfs/dbraw/zinc/99/44/09/553994409.db2.gz WYEFSLOWRSXJBF-VJBWXMMDSA-N 0 0 500.636 3.628 50 0 KHAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000034714178 553995298 /nfs/dbraw/zinc/99/52/98/553995298.db2.gz MELVKXPHWSISOA-KURUZVKSSA-N 0 0 511.669 3.899 50 0 KHAARN Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000034714180 553995338 /nfs/dbraw/zinc/99/53/38/553995338.db2.gz MELVKXPHWSISOA-VSIOZEBNSA-N 0 0 511.669 3.899 50 0 KHAARN CC[C@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000034716940 553995628 /nfs/dbraw/zinc/99/56/28/553995628.db2.gz WPSIPENAWVXLGK-FQEVSTJZSA-N 0 0 507.541 3.922 50 0 KHAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000034716941 553995670 /nfs/dbraw/zinc/99/56/70/553995670.db2.gz WPSIPENAWVXLGK-HXUWFJFHSA-N 0 0 507.541 3.922 50 0 KHAARN CN1OC[C@@H](S(=O)(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000034739130 553998424 /nfs/dbraw/zinc/99/84/24/553998424.db2.gz KEIQCXIQAVIIOJ-KAYWLYCHSA-N 0 0 511.619 3.843 50 0 KHAARN CN1OC[C@@H](S(=O)(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000034739131 553998413 /nfs/dbraw/zinc/99/84/13/553998413.db2.gz KEIQCXIQAVIIOJ-SXOMAYOGSA-N 0 0 511.619 3.843 50 0 KHAARN COc1cc(CN2CCc3nc(N4CCN(C)CC4)nc(Oc4ccccc4OC)c3C2)cc(OC)c1 ZINC000034755622 553999149 /nfs/dbraw/zinc/99/91/49/553999149.db2.gz IXQWWYIKXYOOND-UHFFFAOYSA-N 0 0 505.619 3.605 50 0 KHAARN COc1cc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccc(F)cc4)c3C2)cc(OC)c1OC ZINC000034755746 553999070 /nfs/dbraw/zinc/99/90/70/553999070.db2.gz OBXKMYFRCQWWRQ-UHFFFAOYSA-N 0 0 510.566 3.829 50 0 KHAARN COc1cc(CN2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc(OC)c1OC ZINC000034755785 553998986 /nfs/dbraw/zinc/99/89/86/553998986.db2.gz GNRDDEZTJIVOEB-UHFFFAOYSA-N 0 0 523.609 3.744 50 0 KHAARN COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2cc(OC)c(OC)c(OC)c2)CC3)c1 ZINC000034755836 553999066 /nfs/dbraw/zinc/99/90/66/553999066.db2.gz VIQBRGMUXQRXPR-UHFFFAOYSA-N 0 0 522.602 3.698 50 0 KHAARN COc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CN(Cc2cc(OC)c(OC)c(OC)c2)CC3)c1 ZINC000034755854 553999006 /nfs/dbraw/zinc/99/90/06/553999006.db2.gz AAPXJYMYEICDCC-UHFFFAOYSA-N 0 0 535.645 3.613 50 0 KHAARN COc1ccc(CC(=O)N2CCc3nc(N4CCN(c5ccccc5)CC4)nc(N4CCCCC4)c3C2)cc1 ZINC000034756239 553999266 /nfs/dbraw/zinc/99/92/66/553999266.db2.gz RWPWUDHZQJIJER-UHFFFAOYSA-N 0 0 526.685 3.930 50 0 KHAARN COc1ccc(CC(=O)N2CCc3nc(N4CCN(c5ccccc5)CC4)nc(N(C)C(C)C)c3C2)cc1 ZINC000034756390 553999364 /nfs/dbraw/zinc/99/93/64/553999364.db2.gz QYILDVHLSKMLRY-UHFFFAOYSA-N 0 0 514.674 3.784 50 0 KHAARN Cc1cccc(S(=O)(=O)N2CCc3nc(N4CCN(c5ccccc5)CC4)nc(N(C)C(C)C)c3C2)c1 ZINC000034756707 553999444 /nfs/dbraw/zinc/99/94/44/553999444.db2.gz BXSQZORNHMOPJG-UHFFFAOYSA-N 0 0 520.703 3.703 50 0 KHAARN CN1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000034756728 553999392 /nfs/dbraw/zinc/99/93/92/553999392.db2.gz KNHNYRLFGVRQBC-UHFFFAOYSA-N 0 0 518.014 3.560 50 0 KHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000034756735 553999492 /nfs/dbraw/zinc/99/94/92/553999492.db2.gz XPSMLOUWNWSGNA-UHFFFAOYSA-N 0 0 504.971 3.645 50 0 KHAARN Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000034756743 553999380 /nfs/dbraw/zinc/99/93/80/553999380.db2.gz OZDOZVZRVGTJDA-UHFFFAOYSA-N 0 0 501.008 3.814 50 0 KHAARN Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000034756752 553999414 /nfs/dbraw/zinc/99/94/14/553999414.db2.gz ZVTFLTSANALXHI-UHFFFAOYSA-N 0 0 501.008 3.814 50 0 KHAARN Cc1cc(Oc2nc(N3CCOCC3)nc3c2CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)ccc1F ZINC000034756787 553999707 /nfs/dbraw/zinc/99/97/07/553999707.db2.gz WAEDXIGNAWAZCS-UHFFFAOYSA-N 0 0 518.998 3.953 50 0 KHAARN Cc1cc(Oc2nc(N3CCOCC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)ccc1F ZINC000034756791 553999720 /nfs/dbraw/zinc/99/97/20/553999720.db2.gz DGOHVAQDAKIJDT-UHFFFAOYSA-N 0 0 518.998 3.953 50 0 KHAARN COc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2 ZINC000034756866 553999713 /nfs/dbraw/zinc/99/97/13/553999713.db2.gz VKCNQESOIPYXTI-UHFFFAOYSA-N 0 0 517.007 3.515 50 0 KHAARN O=S(=O)(c1cccc(Cl)c1)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3F)c2C1 ZINC000034756978 553999994 /nfs/dbraw/zinc/99/99/94/553999994.db2.gz WAOHGYWGAGFGKW-UHFFFAOYSA-N 0 0 504.971 3.645 50 0 KHAARN O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3cccc(F)c3)c2C1 ZINC000034757011 553999969 /nfs/dbraw/zinc/99/99/69/553999969.db2.gz PCCBOHMVKZAVEZ-UHFFFAOYSA-N 0 0 504.971 3.645 50 0 KHAARN COc1cccc(NC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1 ZINC000034757166 553999940 /nfs/dbraw/zinc/99/99/40/553999940.db2.gz RUCMJSUEHSJXFE-UHFFFAOYSA-N 0 0 510.545 3.898 50 0 KHAARN COc1cccc(NC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4cccc(OC)c4)c3C2)c1 ZINC000034757246 554000216 /nfs/dbraw/zinc/00/02/16/554000216.db2.gz CIVKAUBONCMCCH-UHFFFAOYSA-N 0 0 504.591 3.628 50 0 KHAARN COc1cccc(NC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1 ZINC000034757293 554000212 /nfs/dbraw/zinc/00/02/12/554000212.db2.gz HSBFSBARWUGNQA-UHFFFAOYSA-N 0 0 510.545 3.898 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1 ZINC000034758725 554000654 /nfs/dbraw/zinc/00/06/54/554000654.db2.gz BAODVVFSCZWUQG-UHFFFAOYSA-N 0 0 525.556 3.515 50 0 KHAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034758743 554000676 /nfs/dbraw/zinc/00/06/76/554000676.db2.gz GBACGZUCUGDHDJ-UHFFFAOYSA-N 0 0 501.484 3.776 50 0 KHAARN CN1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034758751 554000772 /nfs/dbraw/zinc/00/07/72/554000772.db2.gz WZDIOOLHNMVCNE-UHFFFAOYSA-N 0 0 501.484 3.776 50 0 KHAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034760269 554001667 /nfs/dbraw/zinc/00/16/67/554001667.db2.gz LFTVTFBANPPQCC-UHFFFAOYSA-N 0 0 501.484 3.776 50 0 KHAARN CN1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034760278 554001535 /nfs/dbraw/zinc/00/15/35/554001535.db2.gz OZIIZQOAZJQZIP-UHFFFAOYSA-N 0 0 501.484 3.776 50 0 KHAARN COc1cccc(CC(=O)N2CCc3nc(N4CCN(C)CC4)nc(Oc4ccc(F)c(C)c4)c3C2)c1 ZINC000034760448 554001565 /nfs/dbraw/zinc/00/15/65/554001565.db2.gz UDBWVWPKPGPMDH-UHFFFAOYSA-N 0 0 505.594 3.604 50 0 KHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000034761263 554001605 /nfs/dbraw/zinc/00/16/05/554001605.db2.gz QFQJLVWCAKXOJK-NRPPHEFGSA-N 0 0 523.586 3.526 50 0 KHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000034761269 554001580 /nfs/dbraw/zinc/00/15/80/554001580.db2.gz QFQJLVWCAKXOJK-LEYFIJQKSA-N 0 0 523.586 3.526 50 0 KHAARN COCCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000034761381 554001839 /nfs/dbraw/zinc/00/18/39/554001839.db2.gz VOIFFFYDVCUFFS-JWGURIENSA-N 0 0 500.020 3.981 50 0 KHAARN COCCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4F)C3=O)cc2)CC1 ZINC000034761453 554001807 /nfs/dbraw/zinc/00/18/07/554001807.db2.gz QLXPFEQKGBRTTR-JCMHNJIXSA-N 0 0 501.555 3.606 50 0 KHAARN COCCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)c(F)c4)C3=O)cc2)CC1 ZINC000034761471 554001863 /nfs/dbraw/zinc/00/18/63/554001863.db2.gz VIOMRUWBWVLIRB-JCMHNJIXSA-N 0 0 501.555 3.606 50 0 KHAARN COCCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2)CC1 ZINC000034761488 554001818 /nfs/dbraw/zinc/00/18/18/554001818.db2.gz 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511.573 3.803 50 0 KHAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCCN2CCOCC2)cc1 ZINC000034785983 554004054 /nfs/dbraw/zinc/00/40/54/554004054.db2.gz YBZJVHRUMVGQEE-UHFFFAOYSA-N 0 0 504.513 3.603 50 0 KHAARN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCCCN2CCOCC2)cc1 ZINC000034785995 554004065 /nfs/dbraw/zinc/00/40/65/554004065.db2.gz KXBSAYQATNETKW-UHFFFAOYSA-N 0 0 518.540 3.993 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034787074 554004350 /nfs/dbraw/zinc/00/43/50/554004350.db2.gz OHXFSGHLKAHZIE-MHZLTWQESA-N 0 0 505.640 3.697 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034787080 554004422 /nfs/dbraw/zinc/00/44/22/554004422.db2.gz OHXFSGHLKAHZIE-HHHXNRCGSA-N 0 0 505.640 3.697 50 0 KHAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787325 554004557 /nfs/dbraw/zinc/00/45/57/554004557.db2.gz IJUJPKTVOYZTKF-HHHXNRCGSA-N 0 0 503.624 3.799 50 0 KHAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787328 554004304 /nfs/dbraw/zinc/00/43/04/554004304.db2.gz IJUJPKTVOYZTKF-MHZLTWQESA-N 0 0 503.624 3.799 50 0 KHAARN O=C(COCc1ccccc1)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787383 554004329 /nfs/dbraw/zinc/00/43/29/554004329.db2.gz PCOZTLCBQQEIMW-LJAQVGFWSA-N 0 0 503.668 3.973 50 0 KHAARN O=C(COCc1ccccc1)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787388 554004508 /nfs/dbraw/zinc/00/45/08/554004508.db2.gz PCOZTLCBQQEIMW-GDLZYMKVSA-N 0 0 503.668 3.973 50 0 KHAARN COc1ccc(CC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787747 554004978 /nfs/dbraw/zinc/00/49/78/554004978.db2.gz QHIZKWVPDFVYIO-GDLZYMKVSA-N 0 0 503.668 3.926 50 0 KHAARN COc1ccc(CC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787750 554004817 /nfs/dbraw/zinc/00/48/17/554004817.db2.gz QHIZKWVPDFVYIO-LJAQVGFWSA-N 0 0 503.668 3.926 50 0 KHAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787860 554005274 /nfs/dbraw/zinc/00/52/74/554005274.db2.gz GIZHTFRSWOPICV-GDLZYMKVSA-N 0 0 503.668 3.892 50 0 KHAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787863 554005421 /nfs/dbraw/zinc/00/54/21/554005421.db2.gz GIZHTFRSWOPICV-LJAQVGFWSA-N 0 0 503.668 3.892 50 0 KHAARN COc1ccc(CC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788328 554005676 /nfs/dbraw/zinc/00/56/76/554005676.db2.gz GAVSNOAXXOPFMG-NDEPHWFRSA-N 0 0 507.631 3.757 50 0 KHAARN COc1ccc(CC(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788332 554005880 /nfs/dbraw/zinc/00/58/80/554005880.db2.gz GAVSNOAXXOPFMG-MUUNZHRXSA-N 0 0 507.631 3.757 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034788349 554005745 /nfs/dbraw/zinc/00/57/45/554005745.db2.gz VPSHJEVIZJDHMC-MHZLTWQESA-N 0 0 523.630 3.837 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034788352 554005847 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C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034829621 554012019 /nfs/dbraw/zinc/01/20/19/554012019.db2.gz HPBPIGUENFIQHE-ZTOMLWHTSA-N 0 0 503.668 3.972 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@H](C)C2)cc1 ZINC000034829662 554012045 /nfs/dbraw/zinc/01/20/45/554012045.db2.gz KTHYSHBRWCMFTL-PBBNMVCDSA-N 0 0 519.667 3.843 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829663 554012721 /nfs/dbraw/zinc/01/27/21/554012721.db2.gz KTHYSHBRWCMFTL-LGGPFLRQSA-N 0 0 519.667 3.843 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@H](C)C2)cc1 ZINC000034829692 554012597 /nfs/dbraw/zinc/01/25/97/554012597.db2.gz OCRSTZVIDXWCGT-RCRUUEGKSA-N 0 0 533.694 3.980 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)COCc3ccccc3)[C@@H](C)C2)cc1 ZINC000034829693 554012552 /nfs/dbraw/zinc/01/25/52/554012552.db2.gz OCRSTZVIDXWCGT-CHJDUVSTSA-N 0 0 533.694 3.980 50 0 KHAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829892 554012945 /nfs/dbraw/zinc/01/29/45/554012945.db2.gz HHCPONBBVRXODZ-NGOKVRLYSA-N 0 0 507.631 3.973 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000034829893 554012906 /nfs/dbraw/zinc/01/29/06/554012906.db2.gz HHCPONBBVRXODZ-MMTVBGGISA-N 0 0 507.631 3.973 50 0 KHAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829916 554013657 /nfs/dbraw/zinc/01/36/57/554013657.db2.gz WGXAQJDBRZLRAY-CLYVBNDRSA-N 0 0 521.614 3.937 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829917 554013520 /nfs/dbraw/zinc/01/35/20/554013520.db2.gz WGXAQJDBRZLRAY-MYUZEXMDSA-N 0 0 521.614 3.937 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829984 554013817 /nfs/dbraw/zinc/01/38/17/554013817.db2.gz UAHADDNAMKDBDQ-HRFSGMKKSA-N 0 0 525.696 3.626 50 0 KHAARN COc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000034829985 554013999 /nfs/dbraw/zinc/01/39/99/554013999.db2.gz UAHADDNAMKDBDQ-DCFHFQCYSA-N 0 0 525.696 3.626 50 0 KHAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829986 554014016 /nfs/dbraw/zinc/01/40/16/554014016.db2.gz XZMNWVKCOQVTHS-JIPXPUAJSA-N 0 0 509.697 3.926 50 0 KHAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829987 554013973 /nfs/dbraw/zinc/01/39/73/554013973.db2.gz XZMNWVKCOQVTHS-ZBLYBZFDSA-N 0 0 509.697 3.926 50 0 KHAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829988 554014053 /nfs/dbraw/zinc/01/40/53/554014053.db2.gz KPRPOYUPQPEWNK-JIPXPUAJSA-N 0 0 509.697 3.926 50 0 KHAARN Cc1ccccc1[C@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829989 554013878 /nfs/dbraw/zinc/01/38/78/554013878.db2.gz KPRPOYUPQPEWNK-ZBLYBZFDSA-N 0 0 509.697 3.926 50 0 KHAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829990 554014075 /nfs/dbraw/zinc/01/40/75/554014075.db2.gz NABLLFWQDBOTPK-BCHFMIIMSA-N 0 0 513.660 3.756 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034829991 554013947 /nfs/dbraw/zinc/01/39/47/554013947.db2.gz NABLLFWQDBOTPK-SIBVEZHUSA-N 0 0 513.660 3.756 50 0 KHAARN O=C(Cc1cccs1)N1CCc2[nH]nc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)c2C1 ZINC000034831818 554017344 /nfs/dbraw/zinc/01/73/44/554017344.db2.gz BWPDODCRKDDVOI-UHFFFAOYSA-N 0 0 504.443 3.868 50 0 KHAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(Cl)cc2Cl)CC3)cc1OC ZINC000034831904 554017600 /nfs/dbraw/zinc/01/76/00/554017600.db2.gz ISKKMCBTSVNMDF-UHFFFAOYSA-N 0 0 517.413 3.834 50 0 KHAARN COc1ccc(CCNC(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC3)cc1OC ZINC000034831905 554017630 /nfs/dbraw/zinc/01/76/30/554017630.db2.gz IRHJKSFSHDXALD-UHFFFAOYSA-N 0 0 517.413 3.834 50 0 KHAARN COc1ccc(CC(=O)N2CCc3n[nH]c(C(=O)NCc4cccc(C(F)(F)F)c4)c3C2)cc1OC ZINC000034831962 554017633 /nfs/dbraw/zinc/01/76/33/554017633.db2.gz KVURASZMJCTULA-UHFFFAOYSA-N 0 0 502.493 3.503 50 0 KHAARN CCn1c(=O)cc(C(F)(F)F)c2ccc(OCC(=O)N3CCN(Cc4ccc(OC)cc4)CC3)cc21 ZINC000034836106 554020490 /nfs/dbraw/zinc/02/04/90/554020490.db2.gz SLLLHJMIYUYNMW-UHFFFAOYSA-N 0 0 503.521 3.772 50 0 KHAARN O=C(NCCCN1CCOCC1)c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000034839413 554020761 /nfs/dbraw/zinc/02/07/61/554020761.db2.gz AWUOPAXPBVJEAD-UHFFFAOYSA-N 0 0 529.472 3.715 50 0 KHAARN CC(=O)N1CCN(C(=O)c2nnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c3ccccc32)CC1 ZINC000034839428 554020783 /nfs/dbraw/zinc/02/07/83/554020783.db2.gz SRQVNCCTYBEISS-UHFFFAOYSA-N 0 0 513.429 3.568 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccco2)CC3)cc1 ZINC000034839637 554021026 /nfs/dbraw/zinc/02/10/26/554021026.db2.gz NTWSKJAHOICWGC-PEZBUJJGSA-N 0 0 503.536 3.758 50 0 KHAARN O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccccc1Sc1ccccc1 ZINC000034853957 554021275 /nfs/dbraw/zinc/02/12/75/554021275.db2.gz MPZWSGNBQQSDMN-UHFFFAOYSA-N 0 0 525.652 3.554 50 0 KHAARN O=C(CN1CCN(C(=O)c2ccco2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000034855137 554021506 /nfs/dbraw/zinc/02/15/06/554021506.db2.gz WYPXIKBXLULLDT-UHFFFAOYSA-N 0 0 527.577 3.702 50 0 KHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000034857087 1066839360 /nfs/dbraw/zinc/83/93/60/1066839360.db2.gz SMTZCSLMYATOAV-SSZFMOIBSA-N 0 0 525.627 3.572 50 0 KHAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000034857973 554021740 /nfs/dbraw/zinc/02/17/40/554021740.db2.gz DHIHASCWUVFJHN-UHFFFAOYSA-N 0 0 501.649 3.650 50 0 KHAARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000034864711 554022054 /nfs/dbraw/zinc/02/20/54/554022054.db2.gz VKNRNEUHIMVADG-UHFFFAOYSA-N 0 0 518.975 3.978 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)CN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000034871692 554022624 /nfs/dbraw/zinc/02/26/24/554022624.db2.gz KNUSZDYONROPQI-UHFFFAOYSA-N 0 0 529.597 3.512 50 0 KHAARN O=C(c1cccc(Br)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000034871779 554022573 /nfs/dbraw/zinc/02/25/73/554022573.db2.gz QJNWGBDIKHSIRO-UHFFFAOYSA-N 0 0 510.417 3.539 50 0 KHAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccccc4Cl)CC3)cc2=O)s1 ZINC000034871785 554022647 /nfs/dbraw/zinc/02/26/47/554022647.db2.gz IKJVIPSGYZCKER-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(Cl)cc5)CC4)cc3=O)s2)c1 ZINC000034871794 554022585 /nfs/dbraw/zinc/02/25/85/554022585.db2.gz USYAADMELTXFQJ-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1 ZINC000034871796 554022630 /nfs/dbraw/zinc/02/26/30/554022630.db2.gz KRMRFXDTRXYFLD-QHCPKHFHSA-N 0 0 503.628 3.628 50 0 KHAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1 ZINC000034871799 554022591 /nfs/dbraw/zinc/02/25/91/554022591.db2.gz KRMRFXDTRXYFLD-HSZRJFAPSA-N 0 0 503.628 3.628 50 0 KHAARN Cc1cccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)c1 ZINC000034871811 554022618 /nfs/dbraw/zinc/02/26/18/554022618.db2.gz XLAIXJLQRSCTEL-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000034871815 554022606 /nfs/dbraw/zinc/02/26/06/554022606.db2.gz IUHVVIJADPIUIZ-KRWDZBQOSA-N 0 0 510.019 3.583 50 0 KHAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000034871817 554022580 /nfs/dbraw/zinc/02/25/80/554022580.db2.gz IUHVVIJADPIUIZ-QGZVFWFLSA-N 0 0 510.019 3.583 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000034871846 554022643 /nfs/dbraw/zinc/02/26/43/554022643.db2.gz HFLKPHFHVHINHT-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1 ZINC000034871851 554022792 /nfs/dbraw/zinc/02/27/92/554022792.db2.gz QXZZWIBWMAJXAW-UHFFFAOYSA-N 0 0 504.616 3.875 50 0 KHAARN CCc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5OC)sc4n3)CC2)cc1 ZINC000034871856 554022813 /nfs/dbraw/zinc/02/28/13/554022813.db2.gz DHSXYYVPCXIVHV-UHFFFAOYSA-N 0 0 504.616 3.739 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)ccc5C)CC4)cc3=O)s2)cc1 ZINC000034871864 554022760 /nfs/dbraw/zinc/02/27/60/554022760.db2.gz SWVZXSCZMBUZSC-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1 ZINC000034871865 554022875 /nfs/dbraw/zinc/02/28/75/554022875.db2.gz DLHSNLXRUDPZHI-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)o1 ZINC000034889817 554023439 /nfs/dbraw/zinc/02/34/39/554023439.db2.gz BWRFALCYOJMXSJ-UHFFFAOYSA-N 0 0 503.643 3.942 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000034899486 554024168 /nfs/dbraw/zinc/02/41/68/554024168.db2.gz JQQUUYYVOPTJTF-UEVCKROQSA-N 0 0 504.052 3.598 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000034899488 554024144 /nfs/dbraw/zinc/02/41/44/554024144.db2.gz JQQUUYYVOPTJTF-WWPVKYPJSA-N 0 0 504.052 3.598 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000034900326 554024706 /nfs/dbraw/zinc/02/47/06/554024706.db2.gz BIRTYJRSPYVFAY-DHIUTWEWSA-N 0 0 504.052 3.598 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000034900372 554024747 /nfs/dbraw/zinc/02/47/47/554024747.db2.gz IMBMDXWXKNTLKR-SXSPYAJSSA-N 0 0 522.042 3.737 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000034900374 554024701 /nfs/dbraw/zinc/02/47/01/554024701.db2.gz IMBMDXWXKNTLKR-CDNPAEQRSA-N 0 0 522.042 3.737 50 0 KHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000034900761 554024963 /nfs/dbraw/zinc/02/49/63/554024963.db2.gz PAVXRILKVOKHJI-CTUHWIOQSA-N 0 0 518.079 3.907 50 0 KHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000034900763 554025014 /nfs/dbraw/zinc/02/50/14/554025014.db2.gz PAVXRILKVOKHJI-WUMKDDEVSA-N 0 0 518.079 3.907 50 0 KHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000034900791 554025021 /nfs/dbraw/zinc/02/50/21/554025021.db2.gz NGXBTCVGYABGSH-JNXPMKTQSA-N 0 0 509.672 3.865 50 0 KHAARN Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000034900793 554024988 /nfs/dbraw/zinc/02/49/88/554024988.db2.gz NGXBTCVGYABGSH-HDUKYVQBSA-N 0 0 509.672 3.865 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000034902171 1066839441 /nfs/dbraw/zinc/83/94/41/1066839441.db2.gz SRNFISGYNMLSNP-KAMYIIQDSA-N 0 0 522.579 3.695 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034903761 1066840148 /nfs/dbraw/zinc/84/01/48/1066840148.db2.gz MKQRFWLQKPNRNX-SSZFMOIBSA-N 0 0 531.678 3.655 50 0 KHAARN COc1ccccc1OCc1nc(C(=O)NC2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cs1 ZINC000034905721 554025938 /nfs/dbraw/zinc/02/59/38/554025938.db2.gz COXOFPTYKAFTAF-UHFFFAOYSA-N 0 0 509.584 3.930 50 0 KHAARN CCOC(=O)CNC(=O)NC1CCC(NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)CC1 ZINC000034906263 554026881 /nfs/dbraw/zinc/02/68/81/554026881.db2.gz SVPDOWWAZZOXQL-UHFFFAOYSA-N 0 0 502.637 3.749 50 0 KHAARN CCOC(=O)CNC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(C(C)C)cc2)n1 ZINC000034906292 554026917 /nfs/dbraw/zinc/02/69/17/554026917.db2.gz VCYHAMAWOOFPHU-VQTJNVASSA-N 0 0 502.637 3.749 50 0 KHAARN CCOC(=O)CNC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(C(C)C)cc2)n1 ZINC000034906293 554027241 /nfs/dbraw/zinc/02/72/41/554027241.db2.gz VCYHAMAWOOFPHU-PMACEKPBSA-N 0 0 502.637 3.749 50 0 KHAARN CCOC(=O)CNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C(C)C)cc2)n1 ZINC000034906294 554027238 /nfs/dbraw/zinc/02/72/38/554027238.db2.gz VCYHAMAWOOFPHU-WOJBJXKFSA-N 0 0 502.637 3.749 50 0 KHAARN CCOC(=O)CNC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(C(C)C)cc2)n1 ZINC000034906295 554027215 /nfs/dbraw/zinc/02/72/15/554027215.db2.gz VCYHAMAWOOFPHU-UXHICEINSA-N 0 0 502.637 3.749 50 0 KHAARN CCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CC2CCCCC2)S(=O)(=O)CC)CC1 ZINC000034909651 554027982 /nfs/dbraw/zinc/02/79/82/554027982.db2.gz XGZJGUMKAGBCOC-UHFFFAOYSA-N 0 0 521.724 3.657 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C(C)C)CC1)CC1CCCCC1 ZINC000034909654 554027958 /nfs/dbraw/zinc/02/79/58/554027958.db2.gz JGFAQXUBLJZMSH-UHFFFAOYSA-N 0 0 535.751 3.903 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CC2)CC1)CC1CCCCC1 ZINC000034909658 554027969 /nfs/dbraw/zinc/02/79/69/554027969.db2.gz YGKKQGKRQOOFFJ-UHFFFAOYSA-N 0 0 533.735 3.657 50 0 KHAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)C2CC2)CC1 ZINC000034909693 554027967 /nfs/dbraw/zinc/02/79/67/554027967.db2.gz WCUULJJKUWCBPQ-UHFFFAOYSA-N 0 0 505.725 3.813 50 0 KHAARN CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NCC)CC1 ZINC000034909707 554028262 /nfs/dbraw/zinc/02/82/62/554028262.db2.gz CSPRMLGCHXYBLR-UHFFFAOYSA-N 0 0 508.729 3.605 50 0 KHAARN CCCCC(=O)N1CCC(N(Cc2ccc(Cl)cc2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1 ZINC000034909720 554028210 /nfs/dbraw/zinc/02/82/10/554028210.db2.gz ITLRRBKVJRAAQW-UHFFFAOYSA-N 0 0 530.131 3.538 50 0 KHAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1)CC(C)C ZINC000034909762 554028260 /nfs/dbraw/zinc/02/82/60/554028260.db2.gz FGRQXVBVGOSKIK-UHFFFAOYSA-N 0 0 503.665 3.611 50 0 KHAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1)CC(C)C ZINC000034909780 554028295 /nfs/dbraw/zinc/02/82/95/554028295.db2.gz YVDDDVBDXFYRFY-UHFFFAOYSA-N 0 0 505.725 3.894 50 0 KHAARN CCC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000034909798 554028546 /nfs/dbraw/zinc/02/85/46/554028546.db2.gz QGBLWJXRZFZWCG-UHFFFAOYSA-N 0 0 515.651 3.717 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)C(C)C)CC2)C2CC2)cc1 ZINC000034909803 554028502 /nfs/dbraw/zinc/02/85/02/554028502.db2.gz OIDZAHNXZOMLFC-UHFFFAOYSA-N 0 0 529.678 3.963 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)C3CC3)CC2)C2CC2)cc1 ZINC000034909807 554028475 /nfs/dbraw/zinc/02/84/75/554028475.db2.gz NTKOUCWORGLOBJ-UHFFFAOYSA-N 0 0 527.662 3.717 50 0 KHAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CC)CC1)S(=O)(=O)c1ccccc1 ZINC000034909813 554028472 /nfs/dbraw/zinc/02/84/72/554028472.db2.gz AGVPUENTQKSSKM-UHFFFAOYSA-N 0 0 503.640 3.656 50 0 KHAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000034909822 554028436 /nfs/dbraw/zinc/02/84/36/554028436.db2.gz XOSYEAPENFGCMR-UHFFFAOYSA-N 0 0 517.667 3.902 50 0 KHAARN CCCN(CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccccc1 ZINC000034909826 554028498 /nfs/dbraw/zinc/02/84/98/554028498.db2.gz SNIVUGZPRYBBMJ-UHFFFAOYSA-N 0 0 515.651 3.656 50 0 KHAARN CCCCNC(=O)N1CCC(N(Cc2ccccc2)C(=O)CN(CC(C)C)S(=O)(=O)CCC)CC1 ZINC000034909835 554028541 /nfs/dbraw/zinc/02/85/41/554028541.db2.gz CPVHZRNUFCWXOS-UHFFFAOYSA-N 0 0 508.729 3.687 50 0 KHAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000034909838 554028414 /nfs/dbraw/zinc/02/84/14/554028414.db2.gz YANHIWADMFRUMY-UHFFFAOYSA-N 0 0 508.729 3.686 50 0 KHAARN CCNC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000034909842 554028480 /nfs/dbraw/zinc/02/84/80/554028480.db2.gz FWUJTXUWHORFGG-UHFFFAOYSA-N 0 0 530.666 3.510 50 0 KHAARN CCCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1 ZINC000034909857 554028675 /nfs/dbraw/zinc/02/86/75/554028675.db2.gz BELVTRZJUSCKFC-UHFFFAOYSA-N 0 0 529.703 3.916 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)c1ccccc1 ZINC000034909861 554028642 /nfs/dbraw/zinc/02/86/42/554028642.db2.gz FUMFVSNMIKGXFC-UHFFFAOYSA-N 0 0 529.703 3.772 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccccc1 ZINC000034909867 554028698 /nfs/dbraw/zinc/02/86/98/554028698.db2.gz FLHUMWANCRKVSR-UHFFFAOYSA-N 0 0 527.687 3.526 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(C(=O)CC)CC1)S(=O)(=O)c1ccccc1 ZINC000034909869 554028672 /nfs/dbraw/zinc/02/86/72/554028672.db2.gz MCMUTQGBPALQNB-UHFFFAOYSA-N 0 0 515.676 3.526 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Cc2cccs2)CC1)CC(C)C ZINC000034909886 554028665 /nfs/dbraw/zinc/02/86/65/554028665.db2.gz SDFJVBPSLOBWOK-UHFFFAOYSA-N 0 0 533.760 3.927 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)C2CCCC2)CC1)CC(C)C ZINC000034909891 554028677 /nfs/dbraw/zinc/02/86/77/554028677.db2.gz ZEPSKBQVMOWNEW-UHFFFAOYSA-N 0 0 505.725 3.813 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2cccs2)CC1)CC(C)C ZINC000034909900 554028644 /nfs/dbraw/zinc/02/86/44/554028644.db2.gz URXIPJSMTZOPAX-UHFFFAOYSA-N 0 0 519.733 3.998 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccco2)CC1)CC(C)C ZINC000034909902 554028695 /nfs/dbraw/zinc/02/86/95/554028695.db2.gz QDUJURVDOULKRU-UHFFFAOYSA-N 0 0 503.665 3.529 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccccc2)CC1)CC(C)C ZINC000034909915 554028690 /nfs/dbraw/zinc/02/86/90/554028690.db2.gz JBHCJKHFHWJLIV-UHFFFAOYSA-N 0 0 513.704 3.936 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Cc2ccccc2)CC1)CC(C)C ZINC000034909917 554028638 /nfs/dbraw/zinc/02/86/38/554028638.db2.gz PXWKZTGDBLHINM-UHFFFAOYSA-N 0 0 527.731 3.865 50 0 KHAARN CCCCNC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1 ZINC000034909940 554028657 /nfs/dbraw/zinc/02/86/57/554028657.db2.gz UUNJEZMBALMICA-UHFFFAOYSA-N 0 0 508.729 3.605 50 0 KHAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)NC(C)(C)C)CC1)CC(C)C ZINC000034909942 554028683 /nfs/dbraw/zinc/02/86/83/554028683.db2.gz WZIOCUVVLICFFI-UHFFFAOYSA-N 0 0 508.729 3.604 50 0 KHAARN CCCN(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)C2CCC2)CC1)S(=O)(=O)c1ccccc1 ZINC000034910153 554028946 /nfs/dbraw/zinc/02/89/46/554028946.db2.gz QTYOTTJPVHXREV-UHFFFAOYSA-N 0 0 511.688 3.907 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)CCC ZINC000034910173 554028919 /nfs/dbraw/zinc/02/89/19/554028919.db2.gz XXMKITILPFHCNQ-UHFFFAOYSA-N 0 0 517.667 3.911 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C2CCCC2)CC1)S(=O)(=O)CCC ZINC000034910187 554028986 /nfs/dbraw/zinc/02/89/86/554028986.db2.gz YFIIKIMTPWBDPV-UHFFFAOYSA-N 0 0 509.688 3.787 50 0 KHAARN CCCCC(=O)N1CCC(N(Cc2cccc(Cl)c2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1 ZINC000034910202 554028971 /nfs/dbraw/zinc/02/89/71/554028971.db2.gz JKMCROSGVLMUAO-UHFFFAOYSA-N 0 0 530.131 3.538 50 0 KHAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)CC ZINC000034910262 554028997 /nfs/dbraw/zinc/02/89/97/554028997.db2.gz WBGMDKSDIUGGLL-UHFFFAOYSA-N 0 0 529.703 3.699 50 0 KHAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)C2CCCCC2)CC1)S(=O)(=O)CC ZINC000034910270 554029173 /nfs/dbraw/zinc/02/91/73/554029173.db2.gz WTKHYRCTZPCFOZ-UHFFFAOYSA-N 0 0 505.725 3.957 50 0 KHAARN CCCCNC(=O)N1CCC(N(Cc2ccc(F)cc2)C(=O)CN(CCC)S(=O)(=O)CCC)CC1 ZINC000034910300 554029188 /nfs/dbraw/zinc/02/91/88/554029188.db2.gz QAUHOHYZQVDNKW-UHFFFAOYSA-N 0 0 512.692 3.580 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)NC(C)(C)C)CC1)S(=O)(=O)CCC ZINC000034910305 554029166 /nfs/dbraw/zinc/02/91/66/554029166.db2.gz GVPBPWFGZFWCGZ-UHFFFAOYSA-N 0 0 512.692 3.579 50 0 KHAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NC2CCCCC2)CC1)S(=O)(=O)CC ZINC000034910312 554029216 /nfs/dbraw/zinc/02/92/16/554029216.db2.gz IOXMKRRHCLOHOA-UHFFFAOYSA-N 0 0 520.740 3.892 50 0 KHAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NCc2ccccc2)CC1)S(=O)(=O)CC ZINC000034910317 554029199 /nfs/dbraw/zinc/02/91/99/554029199.db2.gz BBKOCLSGRYGNTR-UHFFFAOYSA-N 0 0 528.719 3.760 50 0 KHAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000034914135 554029551 /nfs/dbraw/zinc/02/95/51/554029551.db2.gz RRSOJXGANGZDII-YFVBLACISA-N 0 0 530.463 3.786 50 0 biogenic KHAARN CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000034914137 554029502 /nfs/dbraw/zinc/02/95/02/554029502.db2.gz RRSOJXGANGZDII-DDETZTFGSA-N 0 0 530.463 3.786 50 0 biogenic KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 ZINC000034915774 554030104 /nfs/dbraw/zinc/03/01/04/554030104.db2.gz XAUDRQQMELURHQ-UHFFFAOYSA-N 0 0 506.632 3.544 50 0 KHAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000034916910 554030091 /nfs/dbraw/zinc/03/00/91/554030091.db2.gz KMWJEOZLFFPSJM-OAHLLOKOSA-N 0 0 517.426 3.650 50 0 KHAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000034916911 554030196 /nfs/dbraw/zinc/03/01/96/554030196.db2.gz KMWJEOZLFFPSJM-HNNXBMFYSA-N 0 0 517.426 3.650 50 0 KHAARN COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2N2CCCC2)cc1OC ZINC000034919331 554030498 /nfs/dbraw/zinc/03/04/98/554030498.db2.gz HNFINEURSUJHRP-UHFFFAOYSA-N 0 0 501.649 3.954 50 0 KHAARN CCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919537 554030647 /nfs/dbraw/zinc/03/06/47/554030647.db2.gz IXFZHNNZODXWRM-QFIPXVFZSA-N 0 0 522.671 3.886 50 0 KHAARN CCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919539 554030790 /nfs/dbraw/zinc/03/07/90/554030790.db2.gz IXFZHNNZODXWRM-JOCHJYFZSA-N 0 0 522.671 3.886 50 0 KHAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)[C@@H](CC)c2ccccc2)ccc1N1CCC(C(N)=O)CC1 ZINC000034919870 554031094 /nfs/dbraw/zinc/03/10/94/554031094.db2.gz AALUEVVUBWUNAP-GCJKJVERSA-N 0 0 500.665 3.597 50 0 KHAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)[C@@H](CC)c2ccccc2)ccc1N1CCC(C(N)=O)CC1 ZINC000034919873 554031136 /nfs/dbraw/zinc/03/11/36/554031136.db2.gz AALUEVVUBWUNAP-AVRDEDQJSA-N 0 0 500.665 3.597 50 0 KHAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)[C@H](CC)c2ccccc2)ccc1N1CCC(C(N)=O)CC1 ZINC000034919875 554031366 /nfs/dbraw/zinc/03/13/66/554031366.db2.gz AALUEVVUBWUNAP-XMSQKQJNSA-N 0 0 500.665 3.597 50 0 KHAARN CC[C@@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@@H](C)CC)c1)c1ccccc1 ZINC000034919878 554031309 /nfs/dbraw/zinc/03/13/09/554031309.db2.gz AALUEVVUBWUNAP-PGRDOPGGSA-N 0 0 500.665 3.597 50 0 KHAARN C[C@H](NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000034919916 554031341 /nfs/dbraw/zinc/03/13/41/554031341.db2.gz QVLPVZHZMBYKQY-FQEVSTJZSA-N 0 0 520.655 3.609 50 0 KHAARN C[C@@H](NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000034919918 554031297 /nfs/dbraw/zinc/03/12/97/554031297.db2.gz QVLPVZHZMBYKQY-HXUWFJFHSA-N 0 0 520.655 3.609 50 0 KHAARN CCCCCC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000034919926 554031299 /nfs/dbraw/zinc/03/12/99/554031299.db2.gz FDTYSORAPJMHFD-IBGZPJMESA-N 0 0 500.665 3.947 50 0 KHAARN CCCCCC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000034919928 554031344 /nfs/dbraw/zinc/03/13/44/554031344.db2.gz FDTYSORAPJMHFD-LJQANCHMSA-N 0 0 500.665 3.947 50 0 KHAARN C[C@H](NS(=O)(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000034919929 554031311 /nfs/dbraw/zinc/03/13/11/554031311.db2.gz NCESBUVFZNFOLU-SFHVURJKSA-N 0 0 526.684 3.671 50 0 KHAARN C[C@@H](NS(=O)(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC000034919932 554031331 /nfs/dbraw/zinc/03/13/31/554031331.db2.gz NCESBUVFZNFOLU-GOSISDBHSA-N 0 0 526.684 3.671 50 0 KHAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000034922475 554032163 /nfs/dbraw/zinc/03/21/63/554032163.db2.gz HYFSWOPCFNPYHM-IBGZPJMESA-N 0 0 506.552 3.876 50 0 KHAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)no2)cc(OC)c1OC ZINC000034922476 554032195 /nfs/dbraw/zinc/03/21/95/554032195.db2.gz HYFSWOPCFNPYHM-LJQANCHMSA-N 0 0 506.552 3.876 50 0 KHAARN COc1cc(-c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)Cc3ccccc3)no2)cc(OC)c1OC ZINC000034922477 554032166 /nfs/dbraw/zinc/03/21/66/554032166.db2.gz FXAJYEBGQZBUJU-NRFANRHFSA-N 0 0 502.589 3.878 50 0 KHAARN COc1cc(-c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)Cc3ccccc3)no2)cc(OC)c1OC ZINC000034922478 554032115 /nfs/dbraw/zinc/03/21/15/554032115.db2.gz FXAJYEBGQZBUJU-OAQYLSRUSA-N 0 0 502.589 3.878 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@@H]2CCCO2)cc1 ZINC000034922479 554032130 /nfs/dbraw/zinc/03/21/30/554032130.db2.gz LIZRTDXJWJUCFT-FQEVSTJZSA-N 0 0 518.588 3.746 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C[C@H]2CCCO2)cc1 ZINC000034922480 554032181 /nfs/dbraw/zinc/03/21/81/554032181.db2.gz LIZRTDXJWJUCFT-HXUWFJFHSA-N 0 0 518.588 3.746 50 0 KHAARN O=C(NCc1ccccc1)c1c(-c2ccccc2)n(Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000034924211 554032415 /nfs/dbraw/zinc/03/24/15/554032415.db2.gz WMEAOYGJOKGMAI-UHFFFAOYSA-N 0 0 502.640 3.689 50 0 KHAARN O=C(NCCc1ccccc1)c1c(-c2ccccc2)n(Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000034924214 554032475 /nfs/dbraw/zinc/03/24/75/554032475.db2.gz IDFQIRWPTIDRCP-UHFFFAOYSA-N 0 0 516.667 3.731 50 0 KHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928267 554032947 /nfs/dbraw/zinc/03/29/47/554032947.db2.gz JVZPJZRGQBTBNQ-CLJLJLNGSA-N 0 0 523.630 3.532 50 0 KHAARN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928268 554033008 /nfs/dbraw/zinc/03/30/08/554033008.db2.gz JVZPJZRGQBTBNQ-FTJBHMTQSA-N 0 0 523.630 3.532 50 0 KHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928269 554033025 /nfs/dbraw/zinc/03/30/25/554033025.db2.gz JVZPJZRGQBTBNQ-IZZNHLLZSA-N 0 0 523.630 3.532 50 0 KHAARN CCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928270 554033039 /nfs/dbraw/zinc/03/30/39/554033039.db2.gz JVZPJZRGQBTBNQ-UIOOFZCWSA-N 0 0 523.630 3.532 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000035006137 554033633 /nfs/dbraw/zinc/03/36/33/554033633.db2.gz FYKAXCVEYZTAMO-CNSVBDKNSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000035006139 554033540 /nfs/dbraw/zinc/03/35/40/554033540.db2.gz FYKAXCVEYZTAMO-FNGUVFISSA-N 0 0 513.413 3.569 50 0 KHAARN CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)CF ZINC000035051148 554033872 /nfs/dbraw/zinc/03/38/72/554033872.db2.gz HLXJVMRDGBCZCM-VABKMULXSA-N 0 0 507.647 3.928 50 0 KHAARN O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000035057465 1066840040 /nfs/dbraw/zinc/84/00/40/1066840040.db2.gz AMFAEBZFTGNPGH-YWEYNIOJSA-N 0 0 500.020 3.883 50 0 KHAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2F)o1 ZINC000035074176 554034035 /nfs/dbraw/zinc/03/40/35/554034035.db2.gz HNVHZEQICFJORN-UHFFFAOYSA-N 0 0 507.606 3.773 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1 ZINC000035074654 554034040 /nfs/dbraw/zinc/03/40/40/554034040.db2.gz MBYXUJDUSAPPPC-UHFFFAOYSA-N 0 0 519.642 3.643 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)cc1C ZINC000035104240 554034708 /nfs/dbraw/zinc/03/47/08/554034708.db2.gz GDTYVQUVOHRNOA-UHFFFAOYSA-N 0 0 500.671 3.836 50 0 KHAARN CN(C)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1Cl ZINC000035153140 554036430 /nfs/dbraw/zinc/03/64/30/554036430.db2.gz UFOFUPKVBINOTR-RVDMUPIBSA-N 0 0 500.023 3.717 50 0 KHAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)/C(=C\c2ccccc2OC)c2ccccc2)c1 ZINC000035168693 1066189254 /nfs/dbraw/zinc/18/92/54/1066189254.db2.gz VLVQELVAFOLFNN-JCMHNJIXSA-N 0 0 503.507 3.991 50 0 KHAARN O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000035169678 554040735 /nfs/dbraw/zinc/04/07/35/554040735.db2.gz RCVRHUPUJVYTLH-UDWIEESQSA-N 0 0 515.544 3.572 50 0 KHAARN COc1cc([C@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc(OC)c1O ZINC000035178738 554040973 /nfs/dbraw/zinc/04/09/73/554040973.db2.gz RKNRZGHWFXPNGL-RUZDIDTESA-N 0 0 505.571 3.592 50 0 KHAARN COc1cc([C@@H]2OCC(C)(C)n3c(-c4cccc(C)c4)c4c(c32)n(C)c(=O)n(C)c4=O)cc(OC)c1O ZINC000035178740 554041072 /nfs/dbraw/zinc/04/10/72/554041072.db2.gz RKNRZGHWFXPNGL-VWLOTQADSA-N 0 0 505.571 3.592 50 0 KHAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1 ZINC000035242932 554042250 /nfs/dbraw/zinc/04/22/50/554042250.db2.gz PXQGWXHZDAQHIQ-DEOSSOPVSA-N 0 0 510.388 3.670 50 0 KHAARN COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1 ZINC000035242934 554042274 /nfs/dbraw/zinc/04/22/74/554042274.db2.gz PXQGWXHZDAQHIQ-XMMPIXPASA-N 0 0 510.388 3.670 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N/C=C\n3cnc4cc(C(F)(F)F)ccc43)c2)C[C@H](C)O1 ZINC000035254973 1066840179 /nfs/dbraw/zinc/84/01/79/1066840179.db2.gz FTBNTXRXRUQEHY-QGDQWMDISA-N 0 0 508.522 3.711 50 0 KHAARN COc1cc([C@@H]2C3=C(COC3=O)N(c3ccccc3)[C@@]3(Nc4ccccc4)COC(=O)[C@@H]23)cc2c1OCO2 ZINC000035326536 554043357 /nfs/dbraw/zinc/04/33/57/554043357.db2.gz XYGODGIBYGKECA-JUMFHWHPSA-N 0 0 512.518 3.820 50 0 KHAARN COc1cc([C@@H]2C3=C(COC3=O)N(c3ccccc3)[C@@]3(Nc4ccccc4)COC(=O)[C@H]23)cc2c1OCO2 ZINC000035326543 554043406 /nfs/dbraw/zinc/04/34/06/554043406.db2.gz XYGODGIBYGKECA-APJNYFBKSA-N 0 0 512.518 3.820 50 0 KHAARN O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000035352015 1066840010 /nfs/dbraw/zinc/84/00/10/1066840010.db2.gz CHOHDDJYXPSHFF-HKWRFOASSA-N 0 0 518.638 3.553 50 0 KHAARN O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035361662 554044139 /nfs/dbraw/zinc/04/41/39/554044139.db2.gz BCVWLAYSDSIVNI-VDKIKQQVSA-N 0 0 514.642 3.924 50 0 KHAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035361663 554044294 /nfs/dbraw/zinc/04/42/94/554044294.db2.gz BCVWLAYSDSIVNI-GIFXNVAJSA-N 0 0 514.642 3.924 50 0 KHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2cccc(OC)c2)[C@H](C)C1 ZINC000035369363 554044913 /nfs/dbraw/zinc/04/49/13/554044913.db2.gz YCAOJENIDDZZCH-OAHLLOKOSA-N 0 0 515.408 3.875 50 0 KHAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000035377657 554045550 /nfs/dbraw/zinc/04/55/50/554045550.db2.gz SBAUQMRJNJAQNA-UHFFFAOYSA-N 0 0 517.001 3.927 50 0 KHAARN CC(C)CCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O ZINC000035377659 554045485 /nfs/dbraw/zinc/04/54/85/554045485.db2.gz KHCSBXLVJQWUAJ-UHFFFAOYSA-N 0 0 517.001 3.927 50 0 KHAARN CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O ZINC000035377678 554045509 /nfs/dbraw/zinc/04/55/09/554045509.db2.gz CSIVEAOAMCQNKS-UHFFFAOYSA-N 0 0 504.509 3.516 50 0 KHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3Cl)c2=O)cc1 ZINC000035377787 554045792 /nfs/dbraw/zinc/04/57/92/554045792.db2.gz YEVNWYTVIRFABN-UHFFFAOYSA-N 0 0 504.974 3.513 50 0 KHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000035377790 554045794 /nfs/dbraw/zinc/04/57/94/554045794.db2.gz CBGLJBHEFVQQEB-UHFFFAOYSA-N 0 0 504.974 3.513 50 0 KHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000035377793 554045807 /nfs/dbraw/zinc/04/58/07/554045807.db2.gz RDSHRNCHZWLZOK-UHFFFAOYSA-N 0 0 504.974 3.513 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c1=O ZINC000035377834 554046038 /nfs/dbraw/zinc/04/60/38/554046038.db2.gz CSXNTROUPOBASS-UHFFFAOYSA-N 0 0 516.985 3.574 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000035378685 554046080 /nfs/dbraw/zinc/04/60/80/554046080.db2.gz IZHHVWNUUJSLEX-UHFFFAOYSA-N 0 0 501.948 3.874 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2Cl)c1 ZINC000035378689 554046033 /nfs/dbraw/zinc/04/60/33/554046033.db2.gz MIDXOYXSUMAXPM-UHFFFAOYSA-N 0 0 501.948 3.874 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000035378706 554046087 /nfs/dbraw/zinc/04/60/87/554046087.db2.gz MWUBYSVXQSBXBD-UHFFFAOYSA-N 0 0 501.948 3.874 50 0 KHAARN CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000035378709 554046041 /nfs/dbraw/zinc/04/60/41/554046041.db2.gz NRDPHFDAKUBCEQ-UHFFFAOYSA-N 0 0 511.556 3.620 50 0 KHAARN CCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000035378711 554046075 /nfs/dbraw/zinc/04/60/75/554046075.db2.gz IKFUZKOJAHOIBL-UHFFFAOYSA-N 0 0 511.556 3.620 50 0 KHAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(C)c1 ZINC000035378924 554046337 /nfs/dbraw/zinc/04/63/37/554046337.db2.gz COELITCFGKVNFW-LJQANCHMSA-N 0 0 514.648 3.520 50 0 KHAARN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)c(C)c1 ZINC000035378925 554046245 /nfs/dbraw/zinc/04/62/45/554046245.db2.gz COELITCFGKVNFW-IBGZPJMESA-N 0 0 514.648 3.520 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379148 554046973 /nfs/dbraw/zinc/04/69/73/554046973.db2.gz IZELODLTQRJQPI-OFNKIYASSA-N 0 0 525.671 3.596 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379149 554046993 /nfs/dbraw/zinc/04/69/93/554046993.db2.gz IZELODLTQRJQPI-NFBKMPQASA-N 0 0 525.671 3.596 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3cccc(Br)c3)C1)O[C@H](C)C(=O)N2 ZINC000035379210 554046956 /nfs/dbraw/zinc/04/69/56/554046956.db2.gz USORLUOKPHEXSH-CABCVRRESA-N 0 0 522.421 3.516 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3cccc(Br)c3)C1)O[C@H](C)C(=O)N2 ZINC000035379211 554046935 /nfs/dbraw/zinc/04/69/35/554046935.db2.gz USORLUOKPHEXSH-HUUCEWRRSA-N 0 0 522.421 3.516 50 0 KHAARN 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CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCC(C)CC4)cs3)CC2)c1 ZINC000035424593 554050378 /nfs/dbraw/zinc/05/03/78/554050378.db2.gz OCDKXZCATJEUJN-UHFFFAOYSA-N 0 0 517.673 3.862 50 0 KHAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc21)N1CCCCC1 ZINC000035426597 554050823 /nfs/dbraw/zinc/05/08/23/554050823.db2.gz KXFFFUVBJRKVDO-UHFFFAOYSA-N 0 0 511.669 3.944 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1)c(=O)n(Cc1ccc(C(=O)NCc3ccco3)cc1)c2=O ZINC000035427848 554052672 /nfs/dbraw/zinc/05/26/72/554052672.db2.gz IXNNAZYTJYSXEB-UHFFFAOYSA-N 0 0 525.561 3.800 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3C)c2=O)cc1 ZINC000035427868 554052557 /nfs/dbraw/zinc/05/25/57/554052557.db2.gz AHSWAJQNOKEADS-UHFFFAOYSA-N 0 0 501.583 3.725 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000035427876 554052663 /nfs/dbraw/zinc/05/26/63/554052663.db2.gz KTAIACALQYMKQN-UHFFFAOYSA-N 0 0 505.546 3.556 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000035427878 554052876 /nfs/dbraw/zinc/05/28/76/554052876.db2.gz JLMXIDDRAJNJNB-UHFFFAOYSA-N 0 0 505.546 3.556 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000035427880 554052851 /nfs/dbraw/zinc/05/28/51/554052851.db2.gz BMZGPHWGPRJLJA-UHFFFAOYSA-N 0 0 501.583 3.725 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1 ZINC000035427882 554052839 /nfs/dbraw/zinc/05/28/39/554052839.db2.gz IVXLEHCYRAUDRM-UHFFFAOYSA-N 0 0 505.546 3.556 50 0 KHAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000035427886 554052784 /nfs/dbraw/zinc/05/27/84/554052784.db2.gz YHXLACUTMDSVCC-UHFFFAOYSA-N 0 0 501.583 3.725 50 0 KHAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000035427910 554052822 /nfs/dbraw/zinc/05/28/22/554052822.db2.gz HJYQURKPCAUWLH-UHFFFAOYSA-N 0 0 519.573 3.946 50 0 KHAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(F)c3)c2=O)cc1 ZINC000035427912 554052791 /nfs/dbraw/zinc/05/27/91/554052791.db2.gz CVPZQRYXWLVISY-UHFFFAOYSA-N 0 0 519.573 3.946 50 0 KHAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cccc(OC)c3)c2=O)cc1 ZINC000035427920 554052861 /nfs/dbraw/zinc/05/28/61/554052861.db2.gz VQVIRTAKKVMQLQ-UHFFFAOYSA-N 0 0 531.609 3.816 50 0 biogenic KHAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3)c2=O)cc1 ZINC000035427922 554052847 /nfs/dbraw/zinc/05/28/47/554052847.db2.gz BEBDGNGELPLPST-UHFFFAOYSA-N 0 0 501.583 3.807 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1C)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427944 554052814 /nfs/dbraw/zinc/05/28/14/554052814.db2.gz SCJJBWMJRGBDDM-UHFFFAOYSA-N 0 0 501.583 3.724 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427952 554053004 /nfs/dbraw/zinc/05/30/04/554053004.db2.gz WEFJEDFPSUHEPA-UHFFFAOYSA-N 0 0 505.546 3.554 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cccc(F)c1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427954 554053002 /nfs/dbraw/zinc/05/30/02/554053002.db2.gz XCNZWGKMXRXOOX-UHFFFAOYSA-N 0 0 505.546 3.554 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427956 554053014 /nfs/dbraw/zinc/05/30/14/554053014.db2.gz RCRQYZAVCZOLEL-UHFFFAOYSA-N 0 0 501.583 3.724 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427958 554053011 /nfs/dbraw/zinc/05/30/11/554053011.db2.gz OXALKFDWNTXVOD-UHFFFAOYSA-N 0 0 505.546 3.554 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427962 554053037 /nfs/dbraw/zinc/05/30/37/554053037.db2.gz PZNIZLLRKDFUHU-UHFFFAOYSA-N 0 0 501.583 3.724 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1Cl)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000035427996 554053051 /nfs/dbraw/zinc/05/30/51/554053051.db2.gz UQSAPEAHPVGEAI-UHFFFAOYSA-N 0 0 519.985 3.823 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccc(Cl)cc1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000035427998 554053008 /nfs/dbraw/zinc/05/30/08/554053008.db2.gz SKROTIIYEZVPMB-UHFFFAOYSA-N 0 0 519.985 3.823 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cccc(Cl)c1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000035428000 554053063 /nfs/dbraw/zinc/05/30/63/554053063.db2.gz MNXCLWMBGOAWLZ-UHFFFAOYSA-N 0 0 519.985 3.823 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cc(C)ccc1C)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000035428014 554052992 /nfs/dbraw/zinc/05/29/92/554052992.db2.gz RBDBORZSMTWCDK-UHFFFAOYSA-N 0 0 513.594 3.786 50 0 KHAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000035428026 554052969 /nfs/dbraw/zinc/05/29/69/554052969.db2.gz WRCUGAMDTMBJFQ-GOSISDBHSA-N 0 0 519.573 3.944 50 0 KHAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3F)c2=O)cc1 ZINC000035428028 554053022 /nfs/dbraw/zinc/05/30/22/554053022.db2.gz WRCUGAMDTMBJFQ-SFHVURJKSA-N 0 0 519.573 3.944 50 0 KHAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3)c2=O)cc1 ZINC000035428046 554053309 /nfs/dbraw/zinc/05/33/09/554053309.db2.gz DAZGKYUJRYEIAD-LJQANCHMSA-N 0 0 501.583 3.805 50 0 KHAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3ccccc3)c2=O)cc1 ZINC000035428048 554053301 /nfs/dbraw/zinc/05/33/01/554053301.db2.gz DAZGKYUJRYEIAD-IBGZPJMESA-N 0 0 501.583 3.805 50 0 KHAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCCC3)cc2N(CC(=O)NCc2ccccc2Cl)C1=O ZINC000035431469 554053262 /nfs/dbraw/zinc/05/32/62/554053262.db2.gz MYOPTNDHGOSASA-MRXNPFEDSA-N 0 0 508.065 3.516 50 0 KHAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCCC3)cc2N(CC(=O)NCc2ccccc2Cl)C1=O ZINC000035431472 554053242 /nfs/dbraw/zinc/05/32/42/554053242.db2.gz MYOPTNDHGOSASA-INIZCTEOSA-N 0 0 508.065 3.516 50 0 KHAARN CCOc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@H](C)C1=O ZINC000035431502 554053297 /nfs/dbraw/zinc/05/32/97/554053297.db2.gz DEQKZCFKAVNGLR-KRWDZBQOSA-N 0 0 503.646 3.583 50 0 KHAARN CCOc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SC[C@@H](C)C1=O ZINC000035431504 554053299 /nfs/dbraw/zinc/05/32/99/554053299.db2.gz DEQKZCFKAVNGLR-QGZVFWFLSA-N 0 0 503.646 3.583 50 0 KHAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)c1 ZINC000035431766 554053755 /nfs/dbraw/zinc/05/37/55/554053755.db2.gz VDGHZOZHENPYBY-QGZVFWFLSA-N 0 0 503.646 3.726 50 0 KHAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)c1 ZINC000035431768 554053751 /nfs/dbraw/zinc/05/37/51/554053751.db2.gz VDGHZOZHENPYBY-KRWDZBQOSA-N 0 0 503.646 3.726 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccc2)C(=O)C[C@H](C)S3)CC1 ZINC000035431813 554053768 /nfs/dbraw/zinc/05/37/68/554053768.db2.gz WNZRMHGEJFLEFC-IBGZPJMESA-N 0 0 501.674 3.641 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccccc2)C(=O)C[C@@H](C)S3)CC1 ZINC000035431817 554053762 /nfs/dbraw/zinc/05/37/62/554053762.db2.gz WNZRMHGEJFLEFC-LJQANCHMSA-N 0 0 501.674 3.641 50 0 KHAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3S[C@@H](C)CC2=O)c1 ZINC000035431821 554053788 /nfs/dbraw/zinc/05/37/88/554053788.db2.gz HXTFDNKACSURRJ-SFHVURJKSA-N 0 0 517.673 3.972 50 0 KHAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3S[C@H](C)CC2=O)c1 ZINC000035431824 554053804 /nfs/dbraw/zinc/05/38/04/554053804.db2.gz HXTFDNKACSURRJ-GOSISDBHSA-N 0 0 517.673 3.972 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCc4ccccc42)C(=O)C[C@H](C)S3)CC1 ZINC000035431832 554053941 /nfs/dbraw/zinc/05/39/41/554053941.db2.gz MQVPZVIJOYOMEY-IBGZPJMESA-N 0 0 513.685 3.914 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCc4ccccc42)C(=O)C[C@@H](C)S3)CC1 ZINC000035431834 554054030 /nfs/dbraw/zinc/05/40/30/554054030.db2.gz MQVPZVIJOYOMEY-LJQANCHMSA-N 0 0 513.685 3.914 50 0 KHAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@@H](C)CC1=O ZINC000035431890 554053912 /nfs/dbraw/zinc/05/39/12/554053912.db2.gz LXMRTVPJSSSDRK-SFHVURJKSA-N 0 0 517.673 3.972 50 0 KHAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2S[C@H](C)CC1=O ZINC000035431893 554054008 /nfs/dbraw/zinc/05/40/08/554054008.db2.gz LXMRTVPJSSSDRK-GOSISDBHSA-N 0 0 517.673 3.972 50 0 KHAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3S[C@@H](C)CC2=O)cc1 ZINC000035431904 554054026 /nfs/dbraw/zinc/05/40/26/554054026.db2.gz MFFOOHGXYKLCMB-SFHVURJKSA-N 0 0 517.673 3.972 50 0 KHAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3S[C@H](C)CC2=O)cc1 ZINC000035431908 554053961 /nfs/dbraw/zinc/05/39/61/554053961.db2.gz MFFOOHGXYKLCMB-GOSISDBHSA-N 0 0 517.673 3.972 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N(C)c2ccccc2)C(=O)C[C@H](C)S3)CC1 ZINC000035431938 554053905 /nfs/dbraw/zinc/05/39/05/554053905.db2.gz MHNRXVHPDOFWQG-IBGZPJMESA-N 0 0 501.674 3.988 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N(C)c2ccccc2)C(=O)C[C@@H](C)S3)CC1 ZINC000035431942 554053918 /nfs/dbraw/zinc/05/39/18/554053918.db2.gz MHNRXVHPDOFWQG-LJQANCHMSA-N 0 0 501.674 3.988 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCc4ccco4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000035432047 554054199 /nfs/dbraw/zinc/05/41/99/554054199.db2.gz XGGNEEDMZKRADC-UHFFFAOYSA-N 0 0 508.625 3.662 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000035432106 554054371 /nfs/dbraw/zinc/05/43/71/554054371.db2.gz BZQRZGIADGZYBE-UHFFFAOYSA-N 0 0 518.664 3.819 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NC4CCCCC4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000035432109 554054365 /nfs/dbraw/zinc/05/43/65/554054365.db2.gz ATDVFBHTYAWBBZ-UHFFFAOYSA-N 0 0 510.685 3.952 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NC4CCCCC4)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432159 554054475 /nfs/dbraw/zinc/05/44/75/554054475.db2.gz PMIQZILVKKEETG-UHFFFAOYSA-N 0 0 500.646 3.545 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCc4ccc(C)cc4)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432190 554054399 /nfs/dbraw/zinc/05/43/99/554054399.db2.gz YMWSUMSSLCXTMF-UHFFFAOYSA-N 0 0 522.652 3.721 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432195 554054380 /nfs/dbraw/zinc/05/43/80/554054380.db2.gz YNDPLHVUOUURQK-UHFFFAOYSA-N 0 0 512.588 3.874 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4F)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432204 554054723 /nfs/dbraw/zinc/05/47/23/554054723.db2.gz HWXSBQUZSZVUJN-UHFFFAOYSA-N 0 0 512.588 3.874 50 0 KHAARN CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCN(C(C)=O)C4)cc1 ZINC000035432234 554054684 /nfs/dbraw/zinc/05/46/84/554054684.db2.gz ASDSZWRZKXNUQN-IBGZPJMESA-N 0 0 526.684 3.835 50 0 KHAARN CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCN(C(C)=O)C4)cc1 ZINC000035432237 554054697 /nfs/dbraw/zinc/05/46/97/554054697.db2.gz ASDSZWRZKXNUQN-LJQANCHMSA-N 0 0 526.684 3.835 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000035432239 554054695 /nfs/dbraw/zinc/05/46/95/554054695.db2.gz LUHHJFXTJZIGTF-SFHVURJKSA-N 0 0 512.657 3.581 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000035432241 554054711 /nfs/dbraw/zinc/05/47/11/554054711.db2.gz LUHHJFXTJZIGTF-GOSISDBHSA-N 0 0 512.657 3.581 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4C)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000035432247 554054742 /nfs/dbraw/zinc/05/47/42/554054742.db2.gz WUMRNBDQHIEGKE-KRWDZBQOSA-N 0 0 512.657 3.581 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4C)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000035432250 554054731 /nfs/dbraw/zinc/05/47/31/554054731.db2.gz WUMRNBDQHIEGKE-QGZVFWFLSA-N 0 0 512.657 3.581 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4C)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000035432253 554054714 /nfs/dbraw/zinc/05/47/14/554054714.db2.gz XVOBSKBWBOPBTK-SFHVURJKSA-N 0 0 526.684 3.889 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4C)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000035432256 554054721 /nfs/dbraw/zinc/05/47/21/554054721.db2.gz XVOBSKBWBOPBTK-GOSISDBHSA-N 0 0 526.684 3.889 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(C)ccc4C)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000035432263 554054739 /nfs/dbraw/zinc/05/47/39/554054739.db2.gz FZUNNUCMLSCEGB-SFHVURJKSA-N 0 0 526.684 3.889 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cc(C)ccc4C)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000035432265 554054696 /nfs/dbraw/zinc/05/46/96/554054696.db2.gz FZUNNUCMLSCEGB-GOSISDBHSA-N 0 0 526.684 3.889 50 0 KHAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1 ZINC000035432657 554054736 /nfs/dbraw/zinc/05/47/36/554054736.db2.gz INBLOVOLXLHRRK-UHFFFAOYSA-N 0 0 504.450 3.847 50 0 KHAARN O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 ZINC000035445427 554054944 /nfs/dbraw/zinc/05/49/44/554054944.db2.gz PEFQVVRMKCTPDV-JOCHJYFZSA-N 0 0 517.051 3.859 50 0 KHAARN O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 ZINC000035445429 554054997 /nfs/dbraw/zinc/05/49/97/554054997.db2.gz PEFQVVRMKCTPDV-QFIPXVFZSA-N 0 0 517.051 3.859 50 0 KHAARN O=C(CN1C(=O)[C@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(Cl)cc1 ZINC000035445432 554054862 /nfs/dbraw/zinc/05/48/62/554054862.db2.gz MOJWQXXGGPWRES-HSZRJFAPSA-N 0 0 531.078 3.537 50 0 KHAARN O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21)NCc1ccc(Cl)cc1 ZINC000035445434 554054888 /nfs/dbraw/zinc/05/48/88/554054888.db2.gz MOJWQXXGGPWRES-QHCPKHFHSA-N 0 0 531.078 3.537 50 0 KHAARN CCc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445445 554054917 /nfs/dbraw/zinc/05/49/17/554054917.db2.gz HNMKNCLNVQDKRE-XMMPIXPASA-N 0 0 510.660 3.768 50 0 KHAARN CCc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000035445448 554054981 /nfs/dbraw/zinc/05/49/81/554054981.db2.gz HNMKNCLNVQDKRE-DEOSSOPVSA-N 0 0 510.660 3.768 50 0 KHAARN CCOc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@@H]3C2=O)cc1 ZINC000035445454 554054972 /nfs/dbraw/zinc/05/49/72/554054972.db2.gz BUQZPEHQBNKPFZ-XMMPIXPASA-N 0 0 526.659 3.604 50 0 KHAARN CCOc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCCC[C@H]3C2=O)cc1 ZINC000035445457 554054977 /nfs/dbraw/zinc/05/49/77/554054977.db2.gz BUQZPEHQBNKPFZ-DEOSSOPVSA-N 0 0 526.659 3.604 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1 ZINC000035447039 554055233 /nfs/dbraw/zinc/05/52/33/554055233.db2.gz UTWOFNQAEFDJQP-UHFFFAOYSA-N 0 0 504.616 3.875 50 0 KHAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1 ZINC000035447043 554055224 /nfs/dbraw/zinc/05/52/24/554055224.db2.gz ISSJZQIRNFALMS-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1 ZINC000035447048 554055255 /nfs/dbraw/zinc/05/52/55/554055255.db2.gz LAFYKZQAJKAWPW-UHFFFAOYSA-N 0 0 504.616 3.875 50 0 KHAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1 ZINC000035447058 554055231 /nfs/dbraw/zinc/05/52/31/554055231.db2.gz CWSRFJGBNFAFGF-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1 ZINC000035447066 554055212 /nfs/dbraw/zinc/05/52/12/554055212.db2.gz IPHKRPPGVIYZTM-UHFFFAOYSA-N 0 0 504.616 3.875 50 0 KHAARN COc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000035447068 554055216 /nfs/dbraw/zinc/05/52/16/554055216.db2.gz CFXYXGYFBIBTJR-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(Cl)c4)sc3n2)CC1 ZINC000035447077 554055214 /nfs/dbraw/zinc/05/52/14/554055214.db2.gz USDMLVONZRXKTH-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1 ZINC000035447083 554055206 /nfs/dbraw/zinc/05/52/06/554055206.db2.gz OQKSGTGQYGHBKH-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1 ZINC000035447090 554055239 /nfs/dbraw/zinc/05/52/39/554055239.db2.gz OADULACXURPFAT-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 ZINC000035447101 554055250 /nfs/dbraw/zinc/05/52/50/554055250.db2.gz VGVJWIWASGEHHY-UHFFFAOYSA-N 0 0 508.579 3.624 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 ZINC000035447108 554055506 /nfs/dbraw/zinc/05/55/06/554055506.db2.gz XOZPEGGDVCQLPJ-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000035447115 554055513 /nfs/dbraw/zinc/05/55/13/554055513.db2.gz POFRFILCLZXWHX-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000035447117 554055495 /nfs/dbraw/zinc/05/54/95/554055495.db2.gz GOTXXABBFWYKEC-UHFFFAOYSA-N 0 0 508.579 3.624 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 ZINC000035447124 554055563 /nfs/dbraw/zinc/05/55/63/554055563.db2.gz BCSXIHGHTBGBMA-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000035447130 554055536 /nfs/dbraw/zinc/05/55/36/554055536.db2.gz NKCHJTVFTSNXOC-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000035447135 554055509 /nfs/dbraw/zinc/05/55/09/554055509.db2.gz YQBQWZHFGOGOHE-UHFFFAOYSA-N 0 0 508.579 3.624 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1 ZINC000035447139 554055538 /nfs/dbraw/zinc/05/55/38/554055538.db2.gz HHGNCLIMVHMIGB-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4OC)sc3n2)CC1 ZINC000035447143 554055567 /nfs/dbraw/zinc/05/55/67/554055567.db2.gz RSDPTVQIUDBLIG-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5OC)sc4n3)CC2)cc1 ZINC000035447150 554055470 /nfs/dbraw/zinc/05/54/70/554055470.db2.gz MYWXLJVNBUYGRE-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000035447155 554055532 /nfs/dbraw/zinc/05/55/32/554055532.db2.gz RGANQNMHLXSGSB-UHFFFAOYSA-N 0 0 517.036 3.891 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(OC)c4)sc3n2)CC1 ZINC000035447171 554055524 /nfs/dbraw/zinc/05/55/24/554055524.db2.gz XXFBZWOTTWIDIA-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1 ZINC000035447177 554055528 /nfs/dbraw/zinc/05/55/28/554055528.db2.gz HWWWACXVOOLMLZ-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)CC1 ZINC000035447182 554055490 /nfs/dbraw/zinc/05/54/90/554055490.db2.gz LCAXHEAPPSMGML-UHFFFAOYSA-N 0 0 520.615 3.575 50 0 KHAARN COc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c3nc(-c4ccccc4)nn3c2=O)cc1OC ZINC000035449335 554055776 /nfs/dbraw/zinc/05/57/76/554055776.db2.gz RVJIBKDXPQNHMX-UHFFFAOYSA-N 0 0 500.511 3.629 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000035451934 554055782 /nfs/dbraw/zinc/05/57/82/554055782.db2.gz AALKSKQIGYELRS-UHFFFAOYSA-N 0 0 515.676 3.690 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000035451941 554055844 /nfs/dbraw/zinc/05/58/44/554055844.db2.gz QCVSPYMQTLMHOX-UHFFFAOYSA-N 0 0 513.660 3.535 50 0 KHAARN CCOC(=O)C1CCN(c2cc3c(cc2S(=O)(=O)N2CCCCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000035453934 554055737 /nfs/dbraw/zinc/05/57/37/554055737.db2.gz ZXINXKPLYLBXDF-UHFFFAOYSA-N 0 0 513.616 3.999 50 0 KHAARN Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)c2)no1 ZINC000035457613 554056054 /nfs/dbraw/zinc/05/60/54/554056054.db2.gz BKGQDTDXDHLRJH-UHFFFAOYSA-N 0 0 514.673 3.989 50 0 KHAARN COc1ccc(-c2c(C(=O)N3CCCCC3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCCC1 ZINC000035461646 554055992 /nfs/dbraw/zinc/05/59/92/554055992.db2.gz XFWRMNCIVZIINM-UHFFFAOYSA-N 0 0 511.648 3.822 50 0 KHAARN CCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)cc1 ZINC000035462524 554055987 /nfs/dbraw/zinc/05/59/87/554055987.db2.gz CQNDGRBNFDHYRP-UHFFFAOYSA-N 0 0 519.001 3.822 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1Cl ZINC000035462837 554056329 /nfs/dbraw/zinc/05/63/29/554056329.db2.gz NNEVIXRZDYLWEE-UHFFFAOYSA-N 0 0 504.992 3.916 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)N(CCOC)CC(=O)N2CCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000035471645 554056223 /nfs/dbraw/zinc/05/62/23/554056223.db2.gz IXFFSPVPJARBKJ-SANMLTNESA-N 0 0 522.577 3.916 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)N(CCOC)CC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000035471647 554056192 /nfs/dbraw/zinc/05/61/92/554056192.db2.gz IXFFSPVPJARBKJ-AREMUKBSSA-N 0 0 522.577 3.916 50 0 KHAARN O=C(NCCCN1CCOCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000035477585 554056468 /nfs/dbraw/zinc/05/64/68/554056468.db2.gz LXULUABWKAQHKW-UHFFFAOYSA-N 0 0 508.022 3.593 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000035477595 554056583 /nfs/dbraw/zinc/05/65/83/554056583.db2.gz ZQCDIDFLILMKRE-UHFFFAOYSA-N 0 0 506.006 3.883 50 0 KHAARN CN(CC(=O)N1CCN(c2ccccn2)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000035481363 554056502 /nfs/dbraw/zinc/05/65/02/554056502.db2.gz PVBZEGZVRXHRDA-UHFFFAOYSA-N 0 0 504.664 3.848 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c1C(=O)N1CCCC1 ZINC000035481851 554056498 /nfs/dbraw/zinc/05/64/98/554056498.db2.gz SVYFRPUXHZMWJA-UHFFFAOYSA-N 0 0 507.056 3.869 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 ZINC000035481865 554056513 /nfs/dbraw/zinc/05/65/13/554056513.db2.gz FPLRQIGBVZSWOO-UHFFFAOYSA-N 0 0 523.055 3.569 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1C(=O)N1CCCC1 ZINC000035481866 554056577 /nfs/dbraw/zinc/05/65/77/554056577.db2.gz KCOBNHFSLXNWJX-UHFFFAOYSA-N 0 0 511.019 3.699 50 0 KHAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000035502764 554057031 /nfs/dbraw/zinc/05/70/31/554057031.db2.gz OXJSEUICJSWVJR-UHFFFAOYSA-N 0 0 516.601 3.752 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2nc(SCC)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1 ZINC000035504229 554056987 /nfs/dbraw/zinc/05/69/87/554056987.db2.gz SKHUTDIOFFRPNZ-UHFFFAOYSA-N 0 0 502.618 3.534 50 0 KHAARN CCSc1nn(CC(=O)Nc2ccc(OC)c(Cl)c2)c(N)c1S(=O)(=O)c1ccc(OC)cc1 ZINC000035504251 554057006 /nfs/dbraw/zinc/05/70/06/554057006.db2.gz AMASAQARCJLMLD-UHFFFAOYSA-N 0 0 511.025 3.719 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccc(Br)cc3F)ncn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000035504779 554057037 /nfs/dbraw/zinc/05/70/37/554057037.db2.gz YBMUFEAENQBRKR-QHCPKHFHSA-N 0 0 520.403 3.720 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccc(Br)cc3F)ncn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000035504783 554057292 /nfs/dbraw/zinc/05/72/92/554057292.db2.gz YBMUFEAENQBRKR-HSZRJFAPSA-N 0 0 520.403 3.720 50 0 KHAARN COC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2C)c(=O)c2ccc(C)nc21 ZINC000035504959 554057336 /nfs/dbraw/zinc/05/73/36/554057336.db2.gz LJXGDAUTGDLQEK-UHFFFAOYSA-N 0 0 519.579 3.580 50 0 KHAARN COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccc(OC)c(OC)c4)c(=O)n3n2)c1 ZINC000035510893 554057289 /nfs/dbraw/zinc/05/72/89/554057289.db2.gz IGJFPYQXUTWNDL-UHFFFAOYSA-N 0 0 500.511 3.629 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000035511088 554057397 /nfs/dbraw/zinc/05/73/97/554057397.db2.gz OZZHFJVFUTWGOA-UHFFFAOYSA-N 0 0 512.426 3.610 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000035511106 554057668 /nfs/dbraw/zinc/05/76/68/554057668.db2.gz WOOYXEPHWZBGIB-UHFFFAOYSA-N 0 0 526.453 3.621 50 0 KHAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000035511107 554057626 /nfs/dbraw/zinc/05/76/26/554057626.db2.gz QIPRVPDHPWRZCZ-UHFFFAOYSA-N 0 0 501.649 3.737 50 0 KHAARN O=C(Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(Br)ccc21)Nc1ccc2c(c1)OCO2 ZINC000035535334 554058107 /nfs/dbraw/zinc/05/81/07/554058107.db2.gz OUPDZHNLCKDLJI-UHFFFAOYSA-N 0 0 506.312 3.757 50 0 KHAARN COc1ccc(CNC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(Br)ccc32)cc1 ZINC000035535353 554058423 /nfs/dbraw/zinc/05/84/23/554058423.db2.gz LJEKHYHPABUWEE-UHFFFAOYSA-N 0 0 506.356 3.715 50 0 KHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(OC)c(Cl)cc32)c(OC)c1 ZINC000035535372 554058387 /nfs/dbraw/zinc/05/83/87/554058387.db2.gz MVZROLOPYMKLBZ-UHFFFAOYSA-N 0 0 507.930 3.945 50 0 KHAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(OC)c(Cl)cc32)cc1OC ZINC000035535373 554058366 /nfs/dbraw/zinc/05/83/66/554058366.db2.gz ZJLMMDHXKFPWKM-UHFFFAOYSA-N 0 0 507.930 3.945 50 0 KHAARN O=C(CSc1ccc(Cl)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000035535420 554058368 /nfs/dbraw/zinc/05/83/68/554058368.db2.gz BWWBPYGADLTLRY-UHFFFAOYSA-N 0 0 512.060 3.908 50 0 KHAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccc(Cl)cc4)CC3)cc2=O)s1 ZINC000035535428 554058402 /nfs/dbraw/zinc/05/84/02/554058402.db2.gz MKIDPLWFJAZMNS-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccccc5Cl)CC4)cc3=O)s2)c1 ZINC000035535437 554058426 /nfs/dbraw/zinc/05/84/26/554058426.db2.gz YCLMYFQAZFOTIH-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(SCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(C)c5)sc4n3)CC2)cc1 ZINC000035535439 554058451 /nfs/dbraw/zinc/05/84/51/554058451.db2.gz UFCNBWUAAJWFHH-UHFFFAOYSA-N 0 0 505.669 3.871 50 0 KHAARN Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccccc5Cl)CC4)cc3=O)s2)cc1 ZINC000035535449 554058379 /nfs/dbraw/zinc/05/83/79/554058379.db2.gz CAXHJLVMAFIMIP-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(-c2nn3c(nc(CN4CCN(C(=O)COc5ccc(Cl)cc5)CC4)cc3=O)s2)cc1 ZINC000035535450 554058447 /nfs/dbraw/zinc/05/84/47/554058447.db2.gz LFMRUNASTAZWEP-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(SCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(C)cc5)sc4n3)CC2)cc1 ZINC000035535452 554058389 /nfs/dbraw/zinc/05/83/89/554058389.db2.gz SWXWQCIERRBOCM-UHFFFAOYSA-N 0 0 505.669 3.871 50 0 KHAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1 ZINC000035535453 554058439 /nfs/dbraw/zinc/05/84/39/554058439.db2.gz RJZFJYYZVXKXOK-QHCPKHFHSA-N 0 0 503.628 3.628 50 0 KHAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(C)cc4)sc3n2)CC1 ZINC000035535454 554058408 /nfs/dbraw/zinc/05/84/08/554058408.db2.gz RJZFJYYZVXKXOK-HSZRJFAPSA-N 0 0 503.628 3.628 50 0 KHAARN Cc1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000035535458 554058419 /nfs/dbraw/zinc/05/84/19/554058419.db2.gz WJLNQMCLNHXMLV-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1 ZINC000035535459 554058432 /nfs/dbraw/zinc/05/84/32/554058432.db2.gz ATNZWZOSUUQLBT-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1C ZINC000035535460 554058395 /nfs/dbraw/zinc/05/83/95/554058395.db2.gz BBPSLYQKURJHMK-UHFFFAOYSA-N 0 0 524.046 3.811 50 0 KHAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000035535462 554058359 /nfs/dbraw/zinc/05/83/59/554058359.db2.gz PYIUDWGXQCIAPE-QFIPXVFZSA-N 0 0 524.046 3.973 50 0 KHAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)CC1 ZINC000035535463 554058392 /nfs/dbraw/zinc/05/83/92/554058392.db2.gz PYIUDWGXQCIAPE-JOCHJYFZSA-N 0 0 524.046 3.973 50 0 KHAARN Cc1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(Cl)c4)sc3n2)CC1 ZINC000035535465 554058692 /nfs/dbraw/zinc/05/86/92/554058692.db2.gz DSDITOGFZMMXHI-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1 ZINC000035535466 554058646 /nfs/dbraw/zinc/05/86/46/554058646.db2.gz FJFQIYLVSFTXKE-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1C ZINC000035535467 554058655 /nfs/dbraw/zinc/05/86/55/554058655.db2.gz REBYHVGAGLXRIU-UHFFFAOYSA-N 0 0 524.046 3.811 50 0 KHAARN Cc1cccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)c1 ZINC000035535470 554058667 /nfs/dbraw/zinc/05/86/67/554058667.db2.gz ZUKMNTDMBPDNQB-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1 ZINC000035535471 554058661 /nfs/dbraw/zinc/05/86/61/554058661.db2.gz TUEKTTMBMBYIPT-UHFFFAOYSA-N 0 0 510.019 3.503 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)cc1C ZINC000035535472 554058696 /nfs/dbraw/zinc/05/86/96/554058696.db2.gz XMRSRTADJGZBPO-UHFFFAOYSA-N 0 0 524.046 3.811 50 0 KHAARN Cc1ccc(SCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 ZINC000035535483 554058635 /nfs/dbraw/zinc/05/86/35/554058635.db2.gz AGSWUSNDVXQEDC-UHFFFAOYSA-N 0 0 509.632 3.702 50 0 KHAARN Cc1ccc(SCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 ZINC000035535997 554058680 /nfs/dbraw/zinc/05/86/80/554058680.db2.gz DHLAJYFSNVRVFX-UHFFFAOYSA-N 0 0 509.632 3.702 50 0 KHAARN Cc1ccc(SCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1 ZINC000035536013 554058649 /nfs/dbraw/zinc/05/86/49/554058649.db2.gz ATHBQCWODKLWMT-UHFFFAOYSA-N 0 0 509.632 3.702 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)CSc4ccc(C)cc4)CC3)cc2=O)s1 ZINC000035536033 554058967 /nfs/dbraw/zinc/05/89/67/554058967.db2.gz ARGZXZGZFBNYRE-UHFFFAOYSA-N 0 0 521.668 3.572 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)CSc5ccc(C)cc5)CC4)cc3=O)s2)c1 ZINC000035536049 554058907 /nfs/dbraw/zinc/05/89/07/554058907.db2.gz HNHNNXXPFKZFTL-UHFFFAOYSA-N 0 0 521.668 3.572 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)CSc5ccc(C)cc5)CC4)cc3=O)s2)cc1 ZINC000035536066 554058961 /nfs/dbraw/zinc/05/89/61/554058961.db2.gz QUESJEUEDXGVCD-UHFFFAOYSA-N 0 0 521.668 3.572 50 0 KHAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)c(C)s2)no1 ZINC000035554109 554059245 /nfs/dbraw/zinc/05/92/45/554059245.db2.gz NCQYMCOUJZGSRG-UHFFFAOYSA-N 0 0 509.053 3.828 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)c(C)s2)no1 ZINC000035554142 554059313 /nfs/dbraw/zinc/05/93/13/554059313.db2.gz RHZNXQYAALOINN-UHFFFAOYSA-N 0 0 500.646 3.655 50 0 KHAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000035554322 554059442 /nfs/dbraw/zinc/05/94/42/554059442.db2.gz QKXQVDYAULXPKT-UHFFFAOYSA-N 0 0 504.609 3.840 50 0 KHAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)c(C)s2)no1 ZINC000035555956 554059803 /nfs/dbraw/zinc/05/98/03/554059803.db2.gz YZXAXFZTFMCECA-KRWDZBQOSA-N 0 0 509.053 3.828 50 0 KHAARN Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)c(C)s2)no1 ZINC000035555960 554059799 /nfs/dbraw/zinc/05/97/99/554059799.db2.gz YZXAXFZTFMCECA-QGZVFWFLSA-N 0 0 509.053 3.828 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCc5ccccc5C4)C3)c(C)s2)no1 ZINC000035556004 554060092 /nfs/dbraw/zinc/06/00/92/554060092.db2.gz KIGKGYPYXIBDOT-IBGZPJMESA-N 0 0 500.646 3.655 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCc5ccccc5C4)C3)c(C)s2)no1 ZINC000035556007 554060039 /nfs/dbraw/zinc/06/00/39/554060039.db2.gz KIGKGYPYXIBDOT-LJQANCHMSA-N 0 0 500.646 3.655 50 0 KHAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1 ZINC000035558283 554061039 /nfs/dbraw/zinc/06/10/39/554061039.db2.gz LDFZIULCMATUTN-UHFFFAOYSA-N 0 0 504.609 3.922 50 0 KHAARN O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccccn1 ZINC000035559612 554061018 /nfs/dbraw/zinc/06/10/18/554061018.db2.gz VJNZZVVWRHGUBS-JOCHJYFZSA-N 0 0 500.418 3.839 50 0 KHAARN O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Br)cc1)NCc1ccccn1 ZINC000035559615 554061084 /nfs/dbraw/zinc/06/10/84/554061084.db2.gz VJNZZVVWRHGUBS-QFIPXVFZSA-N 0 0 500.418 3.839 50 0 KHAARN COc1ccc(CCNC(=O)c2nnn(-c3ccccc3)c2CSc2nc(C)cc(C)n2)cc1OC ZINC000035590713 554061463 /nfs/dbraw/zinc/06/14/63/554061463.db2.gz GGOHTCZKXBTFSN-UHFFFAOYSA-N 0 0 504.616 3.956 50 0 KHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000035664818 554062383 /nfs/dbraw/zinc/06/23/83/554062383.db2.gz YUDKDFMXGCUYOA-UHFFFAOYSA-N 0 0 512.610 3.682 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1OC(F)F ZINC000035671678 554062603 /nfs/dbraw/zinc/06/26/03/554062603.db2.gz PXYHZHPXMKSTNJ-GOSISDBHSA-N 0 0 503.589 3.798 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1OC(F)F ZINC000035671680 554062587 /nfs/dbraw/zinc/06/25/87/554062587.db2.gz PXYHZHPXMKSTNJ-SFHVURJKSA-N 0 0 503.589 3.798 50 0 KHAARN CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000035677798 554062648 /nfs/dbraw/zinc/06/26/48/554062648.db2.gz KIEYXDKYCKUUOW-CVGPFBNFSA-N 0 0 503.653 3.769 50 0 KHAARN CCn1nc(C)c(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000035677800 554062670 /nfs/dbraw/zinc/06/26/70/554062670.db2.gz KIEYXDKYCKUUOW-LJJBLSSYSA-N 0 0 503.653 3.769 50 0 KHAARN Cc1nn(C)c(C)c1[C@H]1[C@H](C(=O)Nc2ccccc2C)C(=O)C[C@](C)(O)[C@H]1C(=O)Nc1ccccc1C ZINC000035678737 554063003 /nfs/dbraw/zinc/06/30/03/554063003.db2.gz CRZOLSVNWPMZBE-KGWIZABPSA-N 0 0 502.615 3.971 50 0 KHAARN Cc1nn(C)c(C)c1[C@@H]1[C@H](C(=O)Nc2ccccc2C)C(=O)C[C@](C)(O)[C@H]1C(=O)Nc1ccccc1C ZINC000035678741 554062893 /nfs/dbraw/zinc/06/28/93/554062893.db2.gz CRZOLSVNWPMZBE-AQWTWLKTSA-N 0 0 502.615 3.971 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000035686640 554063170 /nfs/dbraw/zinc/06/31/70/554063170.db2.gz GDVMXEUYRPXZMC-OAQYLSRUSA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000035686641 554063134 /nfs/dbraw/zinc/06/31/34/554063134.db2.gz GDVMXEUYRPXZMC-NRFANRHFSA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000035687867 554063125 /nfs/dbraw/zinc/06/31/25/554063125.db2.gz KDUBRFLCGYSGSC-WIYYLYMNSA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000035687869 554063270 /nfs/dbraw/zinc/06/32/70/554063270.db2.gz KDUBRFLCGYSGSC-GHTZIAJQSA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000035687871 554063160 /nfs/dbraw/zinc/06/31/60/554063160.db2.gz KDUBRFLCGYSGSC-NQIIRXRSSA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccc(Br)cc2)C1 ZINC000035687873 554063382 /nfs/dbraw/zinc/06/33/82/554063382.db2.gz KDUBRFLCGYSGSC-RXVVDRJESA-N 0 0 502.409 3.984 50 0 KHAARN CCOC(=O)CNC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)C(C)C ZINC000035700204 554063935 /nfs/dbraw/zinc/06/39/35/554063935.db2.gz HPPHUUWWKMCXSJ-UHFFFAOYSA-N 0 0 507.591 3.778 50 0 KHAARN COC(=O)c1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)nc(-c2ccccc2)nc1C(C)C ZINC000035703137 554064465 /nfs/dbraw/zinc/06/44/65/554064465.db2.gz JDLGQSQOHHNNSZ-LJQANCHMSA-N 0 0 522.627 3.589 50 0 KHAARN COC(=O)c1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)nc(-c2ccccc2)nc1C(C)C ZINC000035703139 554064404 /nfs/dbraw/zinc/06/44/04/554064404.db2.gz JDLGQSQOHHNNSZ-IBGZPJMESA-N 0 0 522.627 3.589 50 0 KHAARN CCCN1C(=O)N[C@@H](c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)C(C(=O)OCCOC)=C1C ZINC000035710309 554066008 /nfs/dbraw/zinc/06/60/08/554066008.db2.gz GLBNESWDNQDFQF-DEOSSOPVSA-N 0 0 511.575 3.896 50 0 KHAARN CCCN1C(=O)N[C@H](c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)C(C(=O)OCCOC)=C1C ZINC000035710311 554066030 /nfs/dbraw/zinc/06/60/30/554066030.db2.gz GLBNESWDNQDFQF-XMMPIXPASA-N 0 0 511.575 3.896 50 0 KHAARN COCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[n-]c2C(C)C)=C([n+]2ccccc2)C1=O ZINC000035712719 554067080 /nfs/dbraw/zinc/06/70/80/554067080.db2.gz YFRSAMURJIELGV-UHFFFAOYSA-O 0 0 502.378 3.679 50 0 KHAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035725447 554068320 /nfs/dbraw/zinc/06/83/20/554068320.db2.gz CIUFHVAZDVWMCN-INIZCTEOSA-N 0 0 511.398 3.899 50 0 KHAARN O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000035725449 554068326 /nfs/dbraw/zinc/06/83/26/554068326.db2.gz CIUFHVAZDVWMCN-MRXNPFEDSA-N 0 0 511.398 3.899 50 0 KHAARN CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCCCN3CCOCC3)c2)C(=O)C[C@@H]1c1cccc(C)c1 ZINC000035726657 554068602 /nfs/dbraw/zinc/06/86/02/554068602.db2.gz ZNPDVPUVSNSPOY-HHHXNRCGSA-N 0 0 533.669 3.800 50 0 KHAARN CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCCCN3CCOCC3)c2)C(=O)C[C@H]1c1cccc(C)c1 ZINC000035726660 554068636 /nfs/dbraw/zinc/06/86/36/554068636.db2.gz ZNPDVPUVSNSPOY-MHZLTWQESA-N 0 0 533.669 3.800 50 0 KHAARN C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)NCc3ccc(F)cc3)n2)CCN1C(=O)NC(C)(C)C ZINC000035727229 554068625 /nfs/dbraw/zinc/06/86/25/554068625.db2.gz CICMMTFFIKUSEX-OAHLLOKOSA-N 0 0 509.051 3.696 50 0 KHAARN C[C@H]1CN(c2cc(Cl)nc(SCC(=O)NCc3ccc(F)cc3)n2)CCN1C(=O)NC(C)(C)C ZINC000035727232 554068590 /nfs/dbraw/zinc/06/85/90/554068590.db2.gz CICMMTFFIKUSEX-HNNXBMFYSA-N 0 0 509.051 3.696 50 0 KHAARN CC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O ZINC000035743947 554069803 /nfs/dbraw/zinc/06/98/03/554069803.db2.gz VJKPLNLDOHSULC-UHFFFAOYSA-N 0 0 503.430 3.799 50 0 KHAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)CCc3ccccc3)CC2)C1=O)NCCc1ccccc1 ZINC000035744028 554069828 /nfs/dbraw/zinc/06/98/28/554069828.db2.gz BZDLMEXFHGSGMW-UHFFFAOYSA-N 0 0 524.665 3.646 50 0 KHAARN COc1cccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4cccs4)CC3)C2=O)c1 ZINC000035744071 554069833 /nfs/dbraw/zinc/06/98/33/554069833.db2.gz GAETXXGFJDMFIH-UHFFFAOYSA-N 0 0 504.612 3.677 50 0 KHAARN CCOc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC(C)C)CN3c2ccccc2)cc1 ZINC000035744218 554070142 /nfs/dbraw/zinc/07/01/42/554070142.db2.gz MKDFDTSNNMQDHQ-UHFFFAOYSA-N 0 0 507.635 3.530 50 0 KHAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C1=O)NCc1ccco1 ZINC000035744222 554070131 /nfs/dbraw/zinc/07/01/31/554070131.db2.gz VTJMDQMHVZCGGL-UHFFFAOYSA-N 0 0 522.005 3.922 50 0 KHAARN Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccccc2)CN3c2ccccc2)cc1 ZINC000035744231 554070109 /nfs/dbraw/zinc/07/01/09/554070109.db2.gz LXXCTHKTRQRKJZ-UHFFFAOYSA-N 0 0 511.626 3.984 50 0 KHAARN Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCCC2)CN3c2ccccc2)cc1C ZINC000035744244 554070028 /nfs/dbraw/zinc/07/00/28/554070028.db2.gz SYKIRDIJNWPQDF-UHFFFAOYSA-N 0 0 503.647 3.989 50 0 KHAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCCc1ccccc1 ZINC000035744247 554070047 /nfs/dbraw/zinc/07/00/47/554070047.db2.gz OSORVKHUIIGCCI-UHFFFAOYSA-N 0 0 517.674 3.529 50 0 KHAARN C[C@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)c1ccccc1 ZINC000035744316 554070080 /nfs/dbraw/zinc/07/00/80/554070080.db2.gz GKSCUCLIUDDBJV-DEOSSOPVSA-N 0 0 525.653 3.915 50 0 KHAARN C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)c1ccccc1 ZINC000035744319 554070125 /nfs/dbraw/zinc/07/01/25/554070125.db2.gz GKSCUCLIUDDBJV-XMMPIXPASA-N 0 0 525.653 3.915 50 0 KHAARN CCOC(=O)CCC(=O)N(CCCOC)CC(=O)N(Cc1cccn1Cc1cccc(OC)c1)[C@H](C)CC ZINC000035760197 554070531 /nfs/dbraw/zinc/07/05/31/554070531.db2.gz MHZNOJLBDSSCGO-HSZRJFAPSA-N 0 0 529.678 3.881 50 0 KHAARN CCOC(=O)CCC(=O)N(CCCOC)CC(=O)N(Cc1cccn1Cc1cccc(OC)c1)[C@@H](C)CC ZINC000035760201 554070555 /nfs/dbraw/zinc/07/05/55/554070555.db2.gz MHZNOJLBDSSCGO-QHCPKHFHSA-N 0 0 529.678 3.881 50 0 KHAARN Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCC(C)CC2)CN3c2ccccc2)c1 ZINC000035760599 554070617 /nfs/dbraw/zinc/07/06/17/554070617.db2.gz YXEAZIDPWWLFMY-UHFFFAOYSA-N 0 0 503.647 3.926 50 0 KHAARN CCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000035764589 554071038 /nfs/dbraw/zinc/07/10/38/554071038.db2.gz FNMCXLIEKITJAG-UHFFFAOYSA-N 0 0 543.705 3.999 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)c(OC)c1 ZINC000035765607 554071500 /nfs/dbraw/zinc/07/15/00/554071500.db2.gz SOSUWEKRMQTBTL-UHFFFAOYSA-N 0 0 535.641 3.609 50 0 KHAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)Cc2ccccc2)o1 ZINC000035765708 554071454 /nfs/dbraw/zinc/07/14/54/554071454.db2.gz MIHKENLBHCMGDM-UHFFFAOYSA-N 0 0 507.606 3.659 50 0 KHAARN COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)NCc1ccccc1 ZINC000035766156 554071556 /nfs/dbraw/zinc/07/15/56/554071556.db2.gz WALAGWZYFYPLGP-UHFFFAOYSA-N 0 0 509.603 3.726 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000035770254 554072752 /nfs/dbraw/zinc/07/27/52/554072752.db2.gz UXIJJVWAOFFDQW-UHFFFAOYSA-N 0 0 517.531 3.620 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1cccc(OC)c1 ZINC000035770256 554072750 /nfs/dbraw/zinc/07/27/50/554072750.db2.gz REBFHMOIHVALBF-UHFFFAOYSA-N 0 0 503.548 3.899 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(F)cc2)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000035770544 554072783 /nfs/dbraw/zinc/07/27/83/554072783.db2.gz ZFKJHQGDSRWRSG-UHFFFAOYSA-N 0 0 523.604 3.748 50 0 KHAARN COCCN(CC(=O)N(Cc1cccs1)Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)OCO2 ZINC000035771064 554073087 /nfs/dbraw/zinc/07/30/87/554073087.db2.gz AQLCXHMPNMBKPI-UHFFFAOYSA-N 0 0 510.568 3.523 50 0 KHAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)s1 ZINC000035808298 554076877 /nfs/dbraw/zinc/07/68/77/554076877.db2.gz HDVKRZSLNMOJRP-UHFFFAOYSA-N 0 0 504.672 3.867 50 0 KHAARN COCCN(CC(=O)N(Cc1sccc1C)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000035808330 554077323 /nfs/dbraw/zinc/07/73/23/554077323.db2.gz GOXMBJXBIKVLNL-UHFFFAOYSA-N 0 0 516.641 3.651 50 0 KHAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)cs1)C(=O)c1ccccc1Cl ZINC000035809207 554078045 /nfs/dbraw/zinc/07/80/45/554078045.db2.gz QOQKNPLEMIFMPF-CALCHBBNSA-N 0 0 507.056 3.712 50 0 KHAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)cs1)C(=O)c1ccccc1Cl ZINC000035809208 554078023 /nfs/dbraw/zinc/07/80/23/554078023.db2.gz QOQKNPLEMIFMPF-IRXDYDNUSA-N 0 0 507.056 3.712 50 0 KHAARN CC(C)CN(CC(=O)Nc1nc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)cs1)C(=O)c1ccccc1Cl ZINC000035809209 554077965 /nfs/dbraw/zinc/07/79/65/554077965.db2.gz QOQKNPLEMIFMPF-IAGOWNOFSA-N 0 0 507.056 3.712 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCc4ccccc4C3)cs2)C2CC2)cc1 ZINC000035815397 554078204 /nfs/dbraw/zinc/07/82/04/554078204.db2.gz FHDXZSYCSNMUNK-UHFFFAOYSA-N 0 0 504.612 3.522 50 0 KHAARN CCCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O ZINC000035820241 554079162 /nfs/dbraw/zinc/07/91/62/554079162.db2.gz UZZPAZCPLUVAGI-UHFFFAOYSA-N 0 0 518.607 3.539 50 0 KHAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840272 554080364 /nfs/dbraw/zinc/08/03/64/554080364.db2.gz CKPOIXXYEJTRKN-DEOSSOPVSA-N 0 0 522.561 3.789 50 0 KHAARN COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000035840276 554080357 /nfs/dbraw/zinc/08/03/57/554080357.db2.gz CKPOIXXYEJTRKN-XMMPIXPASA-N 0 0 522.561 3.789 50 0 KHAARN O=c1c2c3c(sc2ncn1Cc1cccnc1)CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC3 ZINC000035841315 554080351 /nfs/dbraw/zinc/08/03/51/554080351.db2.gz BJQXCBCSXLXFOV-UHFFFAOYSA-N 0 0 507.424 3.955 50 0 KHAARN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000035843150 554081662 /nfs/dbraw/zinc/08/16/62/554081662.db2.gz CRAKYEFRECZKOI-UHFFFAOYSA-N 0 0 500.983 3.776 50 0 KHAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843206 554081644 /nfs/dbraw/zinc/08/16/44/554081644.db2.gz MYUKAGCSYARXIH-ZHSNQQFMSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843281 554082078 /nfs/dbraw/zinc/08/20/78/554082078.db2.gz PESJDMASHKWDJY-ZHSNQQFMSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843288 554082133 /nfs/dbraw/zinc/08/21/33/554082133.db2.gz URJKLHVZISVBLJ-ZHSNQQFMSA-N 0 0 500.780 3.842 50 0 KHAARN COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000035843312 554082055 /nfs/dbraw/zinc/08/20/55/554082055.db2.gz KVJDWPTYZIFSHS-XUJYPJAKSA-N 0 0 509.562 3.854 50 0 KHAARN CCC[C@@H](C(=O)OCC)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844735 554083223 /nfs/dbraw/zinc/08/32/23/554083223.db2.gz IMKWNMKPEGPAKN-MHZLTWQESA-N 0 0 513.679 3.525 50 0 KHAARN CCC[C@H](C(=O)OCC)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844736 554083232 /nfs/dbraw/zinc/08/32/32/554083232.db2.gz IMKWNMKPEGPAKN-HHHXNRCGSA-N 0 0 513.679 3.525 50 0 KHAARN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851650 554083637 /nfs/dbraw/zinc/08/36/37/554083637.db2.gz XVLANHLWJJOTKO-PRHHBONVSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3Cl)c(Br)c1 ZINC000035855654 554084098 /nfs/dbraw/zinc/08/40/98/554084098.db2.gz AXQQJIAHMHKNBO-DDOIHHOZSA-N 0 0 500.780 3.842 50 0 KHAARN CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)n1)CCN(CC)C3 ZINC000035868068 554085055 /nfs/dbraw/zinc/08/50/55/554085055.db2.gz ORKXRGLBZOKDHP-UHFFFAOYSA-N 0 0 503.669 3.672 50 0 KHAARN CCCc1nc2sc3c(c2c(N2CCN(S(=O)(=O)c4ccc(OC)cc4)CC2)n1)CCN(CC)C3 ZINC000035868069 554085004 /nfs/dbraw/zinc/08/50/04/554085004.db2.gz VBEVUMHSLGZGMK-UHFFFAOYSA-N 0 0 515.705 3.541 50 0 KHAARN COc1ccccc1CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035871892 554086202 /nfs/dbraw/zinc/08/62/02/554086202.db2.gz DYSVYCOLSHMBEF-FYYLOGMGSA-N 0 0 511.548 3.730 50 0 KHAARN COc1ccccc1CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035871893 554086275 /nfs/dbraw/zinc/08/62/75/554086275.db2.gz DYSVYCOLSHMBEF-JTHBVZDNSA-N 0 0 511.548 3.730 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907790 554091956 /nfs/dbraw/zinc/09/19/56/554091956.db2.gz NWMYAFMNUIMEJZ-OFVILXPXSA-N 0 0 520.571 3.551 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000035907926 554092485 /nfs/dbraw/zinc/09/24/85/554092485.db2.gz CRAICDOTRHTUCC-ZCYQVOJMSA-N 0 0 520.571 3.551 50 0 KHAARN O=S(=O)(c1ccccc1)N1CCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035908319 554092976 /nfs/dbraw/zinc/09/29/76/554092976.db2.gz AZVLOVRAKNLYHZ-UHFFFAOYSA-N 0 0 510.623 3.917 50 0 KHAARN CCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 ZINC000035908742 554093522 /nfs/dbraw/zinc/09/35/22/554093522.db2.gz LCSIUEZMRLLUMV-UHFFFAOYSA-N 0 0 520.659 3.986 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccccc2)CC1 ZINC000035908840 554093669 /nfs/dbraw/zinc/09/36/69/554093669.db2.gz MKBNMFOMJXEQDB-UHFFFAOYSA-N 0 0 512.614 3.707 50 0 KHAARN COc1cccc(CN2Cc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H](C)C2=O)c1OC ZINC000035910073 554094256 /nfs/dbraw/zinc/09/42/56/554094256.db2.gz JLZWPEJDTNAFKW-MRXNPFEDSA-N 0 0 500.548 3.953 50 0 KHAARN COc1cccc(CN2Cc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H](C)C2=O)c1OC ZINC000035910074 554094293 /nfs/dbraw/zinc/09/42/93/554094293.db2.gz JLZWPEJDTNAFKW-INIZCTEOSA-N 0 0 500.548 3.953 50 0 KHAARN COc1ccc(CN2Cc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H](C)C2=O)c(OC)c1 ZINC000035910088 554094271 /nfs/dbraw/zinc/09/42/71/554094271.db2.gz GWGANQXCJWPDDO-MRXNPFEDSA-N 0 0 500.548 3.953 50 0 KHAARN COc1ccc(CN2Cc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H](C)C2=O)c(OC)c1 ZINC000035910089 554094251 /nfs/dbraw/zinc/09/42/51/554094251.db2.gz GWGANQXCJWPDDO-INIZCTEOSA-N 0 0 500.548 3.953 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5)n4)c(=O)n23)C1 ZINC000035911561 554095094 /nfs/dbraw/zinc/09/50/94/554095094.db2.gz YYODXUDKJRRNEJ-LJQANCHMSA-N 0 0 519.627 3.570 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5)n4)c(=O)n23)C1 ZINC000035911562 554095070 /nfs/dbraw/zinc/09/50/70/554095070.db2.gz YYODXUDKJRRNEJ-IBGZPJMESA-N 0 0 519.627 3.570 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccn4)n3c2=O)nn1-c1ccc(F)cc1 ZINC000035911678 554095028 /nfs/dbraw/zinc/09/50/28/554095028.db2.gz RGPSWMJVVGYCSQ-UHFFFAOYSA-N 0 0 502.575 3.661 50 0 KHAARN CCN1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(C)cc5C)n4)c(=O)n23)CC1 ZINC000035911736 554095439 /nfs/dbraw/zinc/09/54/39/554095439.db2.gz BNUVHBUIIBKFIP-UHFFFAOYSA-N 0 0 504.660 3.549 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)N4CCOCC4)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035911757 554095377 /nfs/dbraw/zinc/09/53/77/554095377.db2.gz RAGGPNSPUPVRRN-UHFFFAOYSA-N 0 0 518.426 3.934 50 0 KHAARN COCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(=O)n12 ZINC000035911760 554095337 /nfs/dbraw/zinc/09/53/37/554095337.db2.gz YIIYDFQAGZXYCO-UHFFFAOYSA-N 0 0 506.415 3.837 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4cccnc4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911971 554095693 /nfs/dbraw/zinc/09/56/93/554095693.db2.gz NJDMKCHFMDSZTB-UHFFFAOYSA-N 0 0 506.538 3.758 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCc4ccncc4)n3c2=O)nn1-c1cc(F)ccc1F ZINC000035911974 554095660 /nfs/dbraw/zinc/09/56/60/554095660.db2.gz GTIRRCCMCUPNSA-UHFFFAOYSA-N 0 0 506.538 3.758 50 0 KHAARN COCCCNC(=O)Cc1csc2nc(C)c(-c3cc(C)n(-c4cc(Cl)ccc4C)n3)c(=O)n12 ZINC000035911987 554095642 /nfs/dbraw/zinc/09/56/42/554095642.db2.gz HVHPSLNAQAAFIM-UHFFFAOYSA-N 0 0 500.024 3.883 50 0 KHAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c12 ZINC000035912528 554096063 /nfs/dbraw/zinc/09/60/63/554096063.db2.gz NMFXBNFKPNTOIH-UHFFFAOYSA-N 0 0 508.623 3.972 50 0 KHAARN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c12 ZINC000035912531 554096048 /nfs/dbraw/zinc/09/60/48/554096048.db2.gz FOCCWRGRZFDRTM-UHFFFAOYSA-N 0 0 504.660 3.974 50 0 KHAARN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 ZINC000035912547 554096280 /nfs/dbraw/zinc/09/62/80/554096280.db2.gz IJYVPXULINVJCN-UHFFFAOYSA-N 0 0 520.659 3.986 50 0 KHAARN COc1ccc(C(=O)N2CCN(c3nc(C4CCOCC4)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035912595 554096273 /nfs/dbraw/zinc/09/62/73/554096273.db2.gz YDGSVSDOPOBUQB-UHFFFAOYSA-N 0 0 512.614 3.989 50 0 KHAARN Cc1nn(-c2ccccc2)c2nc(C3CCOCC3)nc(N3CCN(C(=O)Cc4cccs4)CC3)c12 ZINC000035912611 554096278 /nfs/dbraw/zinc/09/62/78/554096278.db2.gz DUMXJVQSWYSZNB-UHFFFAOYSA-N 0 0 502.644 3.971 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccn4)n3c2=O)nn1-c1cc(F)ccc1C ZINC000035924736 554097347 /nfs/dbraw/zinc/09/73/47/554097347.db2.gz QNCOSJIMIUNSEC-UHFFFAOYSA-N 0 0 516.602 3.969 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925465 554097639 /nfs/dbraw/zinc/09/76/39/554097639.db2.gz BKVWFUHCRKFLCI-UHFFFAOYSA-N 0 0 500.603 3.994 50 0 KHAARN CCOC(=O)CCC(=O)N1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925526 554097970 /nfs/dbraw/zinc/09/79/70/554097970.db2.gz XYBOLEILJHCPOQ-UHFFFAOYSA-N 0 0 512.614 3.788 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCc4ccccn4)n3c2=O)nn1-c1ccccc1F ZINC000035925771 554098210 /nfs/dbraw/zinc/09/82/10/554098210.db2.gz MDGNNAFMXMZANZ-UHFFFAOYSA-N 0 0 502.575 3.661 50 0 KHAARN COc1ccc(CC(=O)N2CCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925996 554098403 /nfs/dbraw/zinc/09/84/03/554098403.db2.gz MVAKJCXDTIMZFN-UHFFFAOYSA-N 0 0 512.614 3.609 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc(C4CCOCC4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925999 554098391 /nfs/dbraw/zinc/09/83/91/554098391.db2.gz BCKRFRZOYZNECO-UHFFFAOYSA-N 0 0 528.613 3.689 50 0 KHAARN O=C(COc1ccccc1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926029 554098427 /nfs/dbraw/zinc/09/84/27/554098427.db2.gz UZIVETOFAAXXQJ-UHFFFAOYSA-N 0 0 512.614 3.827 50 0 KHAARN O=C(COCc1ccccc1)N1CCCN(c2nc(C3CCOCC3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926046 554098497 /nfs/dbraw/zinc/09/84/97/554098497.db2.gz YNOFSBPMKVNHTO-UHFFFAOYSA-N 0 0 526.641 3.965 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2nc(Cc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035926082 554098751 /nfs/dbraw/zinc/09/87/51/554098751.db2.gz IQDGLLJGTQELDC-UHFFFAOYSA-N 0 0 512.614 3.707 50 0 KHAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926399 554099719 /nfs/dbraw/zinc/09/97/19/554099719.db2.gz GALPKQNVFMARAH-OAQYLSRUSA-N 0 0 515.102 3.611 50 0 KHAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926400 554099408 /nfs/dbraw/zinc/09/94/08/554099408.db2.gz GALPKQNVFMARAH-NRFANRHFSA-N 0 0 515.102 3.611 50 0 KHAARN CCCCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5C)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926430 554099709 /nfs/dbraw/zinc/09/97/09/554099709.db2.gz HZTGUFROJUPOHZ-UHFFFAOYSA-N 0 0 528.701 3.706 50 0 KHAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4cccc(C)c4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926557 554100069 /nfs/dbraw/zinc/10/00/69/554100069.db2.gz ABCQTDCRQUOETH-XMMPIXPASA-N 0 0 508.711 3.574 50 0 KHAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4cccc(C)c4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926558 554099980 /nfs/dbraw/zinc/09/99/80/554099980.db2.gz ABCQTDCRQUOETH-DEOSSOPVSA-N 0 0 508.711 3.574 50 0 KHAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC4)n3)CC2)cc1C ZINC000035926641 554100058 /nfs/dbraw/zinc/10/00/58/554100058.db2.gz URCXEBZPOLVNHD-JOCHJYFZSA-N 0 0 522.738 3.820 50 0 KHAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@H](C)CC(C)(C)C)CC4)n3)CC2)cc1C ZINC000035926642 554099900 /nfs/dbraw/zinc/09/99/00/554099900.db2.gz URCXEBZPOLVNHD-QFIPXVFZSA-N 0 0 522.738 3.820 50 0 KHAARN CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926643 554100097 /nfs/dbraw/zinc/10/00/97/554100097.db2.gz DJLDSBUKPAKHEZ-XMMPIXPASA-N 0 0 508.711 3.574 50 0 KHAARN CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926644 554099955 /nfs/dbraw/zinc/09/99/55/554099955.db2.gz DJLDSBUKPAKHEZ-DEOSSOPVSA-N 0 0 508.711 3.574 50 0 KHAARN CC[C@H](C(=O)N1CCN(c2nc(CN3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926717 554100470 /nfs/dbraw/zinc/10/04/70/554100470.db2.gz YOKMVISQYOPPTM-MHZLTWQESA-N 0 0 528.701 3.551 50 0 KHAARN CC[C@@H](C(=O)N1CCN(c2nc(CN3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926718 554100464 /nfs/dbraw/zinc/10/04/64/554100464.db2.gz YOKMVISQYOPPTM-HHHXNRCGSA-N 0 0 528.701 3.551 50 0 KHAARN Cc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC4)n3)CC2)c1 ZINC000035926733 554100543 /nfs/dbraw/zinc/10/05/43/554100543.db2.gz YAMBAWRRWZKXKW-HSZRJFAPSA-N 0 0 508.711 3.512 50 0 KHAARN Cc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@H](C)CC(C)(C)C)CC4)n3)CC2)c1 ZINC000035926734 554100485 /nfs/dbraw/zinc/10/04/85/554100485.db2.gz YAMBAWRRWZKXKW-QHCPKHFHSA-N 0 0 508.711 3.512 50 0 KHAARN CCCCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5cccc(C)c5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926740 554100517 /nfs/dbraw/zinc/10/05/17/554100517.db2.gz ZXNGAFDKRHZDLV-UHFFFAOYSA-N 0 0 528.701 3.706 50 0 KHAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(C(=O)[C@@H]3CCCO3)CC1)nc2-c1ccc(F)cc1 ZINC000035930074 554101745 /nfs/dbraw/zinc/10/17/45/554101745.db2.gz MWQRJMGJBMXCJW-FQEVSTJZSA-N 0 0 521.984 3.685 50 0 KHAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(C(=O)[C@H]3CCCO3)CC1)nc2-c1ccc(F)cc1 ZINC000035930076 554101651 /nfs/dbraw/zinc/10/16/51/554101651.db2.gz MWQRJMGJBMXCJW-HXUWFJFHSA-N 0 0 521.984 3.685 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1 ZINC000035946823 554103374 /nfs/dbraw/zinc/10/33/74/554103374.db2.gz JAZPYJAFWIIRJD-MHZLTWQESA-N 0 0 506.622 3.773 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1 ZINC000035946825 554103413 /nfs/dbraw/zinc/10/34/13/554103413.db2.gz JAZPYJAFWIIRJD-HHHXNRCGSA-N 0 0 506.622 3.773 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1 ZINC000035946897 554103404 /nfs/dbraw/zinc/10/34/04/554103404.db2.gz MLSBWKWIMBVVPW-VWLOTQADSA-N 0 0 524.687 3.785 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1 ZINC000035946898 554103376 /nfs/dbraw/zinc/10/33/76/554103376.db2.gz MLSBWKWIMBVVPW-RUZDIDTESA-N 0 0 524.687 3.785 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1 ZINC000035946904 554103371 /nfs/dbraw/zinc/10/33/71/554103371.db2.gz ZJVHHJVITJIDII-SANMLTNESA-N 0 0 527.065 3.843 50 0 KHAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1 ZINC000035946905 554103422 /nfs/dbraw/zinc/10/34/22/554103422.db2.gz ZJVHHJVITJIDII-AREMUKBSSA-N 0 0 527.065 3.843 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000035946906 554103377 /nfs/dbraw/zinc/10/33/77/554103377.db2.gz GTKIHMODXDQSOZ-VWLOTQADSA-N 0 0 513.038 3.597 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 ZINC000035946907 554103406 /nfs/dbraw/zinc/10/34/06/554103406.db2.gz GTKIHMODXDQSOZ-RUZDIDTESA-N 0 0 513.038 3.597 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 ZINC000035946908 554103400 /nfs/dbraw/zinc/10/34/00/554103400.db2.gz AYZBNQOBPRGYTK-SANMLTNESA-N 0 0 525.049 3.597 50 0 KHAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1 ZINC000035946909 554103387 /nfs/dbraw/zinc/10/33/87/554103387.db2.gz AYZBNQOBPRGYTK-AREMUKBSSA-N 0 0 525.049 3.597 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035946913 554103389 /nfs/dbraw/zinc/10/33/89/554103389.db2.gz CNRONVJIHFUPFV-VWLOTQADSA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946915 554103383 /nfs/dbraw/zinc/10/33/83/554103383.db2.gz CNRONVJIHFUPFV-RUZDIDTESA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035946919 554103595 /nfs/dbraw/zinc/10/35/95/554103595.db2.gz YMJLNYIOQWVZQE-SANMLTNESA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946920 554103610 /nfs/dbraw/zinc/10/36/10/554103610.db2.gz YMJLNYIOQWVZQE-AREMUKBSSA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035946929 554103655 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VAJWQINVQHMUQR-XMMPIXPASA-N 0 0 512.651 3.916 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035946954 554103605 /nfs/dbraw/zinc/10/36/05/554103605.db2.gz ZVOHTFYSPKILQA-VWLOTQADSA-N 0 0 515.029 3.974 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946955 554103623 /nfs/dbraw/zinc/10/36/23/554103623.db2.gz ZVOHTFYSPKILQA-RUZDIDTESA-N 0 0 515.029 3.974 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035946958 554103643 /nfs/dbraw/zinc/10/36/43/554103643.db2.gz TWUPZIBIPLRJGG-DEOSSOPVSA-N 0 0 501.002 3.728 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946959 554103587 /nfs/dbraw/zinc/10/35/87/554103587.db2.gz TWUPZIBIPLRJGG-XMMPIXPASA-N 0 0 501.002 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035946961 554103668 /nfs/dbraw/zinc/10/36/68/554103668.db2.gz DQVUMZQYVBFYFJ-VWLOTQADSA-N 0 0 513.013 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035946962 554103646 /nfs/dbraw/zinc/10/36/46/554103646.db2.gz DQVUMZQYVBFYFJ-RUZDIDTESA-N 0 0 513.013 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccs1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000035946978 554103615 /nfs/dbraw/zinc/10/36/15/554103615.db2.gz OHPTUJUQRQLCRJ-QFIPXVFZSA-N 0 0 510.591 3.633 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccs1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000035946979 554103584 /nfs/dbraw/zinc/10/35/84/554103584.db2.gz OHPTUJUQRQLCRJ-JOCHJYFZSA-N 0 0 510.591 3.633 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000035946987 554103664 /nfs/dbraw/zinc/10/36/64/554103664.db2.gz VWYSAMPHTFZSCO-VWLOTQADSA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000035946989 554103661 /nfs/dbraw/zinc/10/36/61/554103661.db2.gz VWYSAMPHTFZSCO-RUZDIDTESA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(F)c1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000035946990 554103809 /nfs/dbraw/zinc/10/38/09/554103809.db2.gz GLDFVFXVAKNGHS-VWLOTQADSA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(F)c1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000035946991 554103817 /nfs/dbraw/zinc/10/38/17/554103817.db2.gz GLDFVFXVAKNGHS-RUZDIDTESA-N 0 0 522.552 3.710 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000035947131 554103826 /nfs/dbraw/zinc/10/38/26/554103826.db2.gz ILZDUJJLPKJKOG-VWLOTQADSA-N 0 0 515.029 3.974 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000035947133 554103791 /nfs/dbraw/zinc/10/37/91/554103791.db2.gz ILZDUJJLPKJKOG-RUZDIDTESA-N 0 0 515.029 3.974 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000035947136 554103836 /nfs/dbraw/zinc/10/38/36/554103836.db2.gz BAUZHBUNEMFDPD-VWLOTQADSA-N 0 0 513.013 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000035947137 554103797 /nfs/dbraw/zinc/10/37/97/554103797.db2.gz BAUZHBUNEMFDPD-RUZDIDTESA-N 0 0 513.013 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035947152 554103820 /nfs/dbraw/zinc/10/38/20/554103820.db2.gz DISJMVAWMSNJEE-MHZLTWQESA-N 0 0 524.612 3.994 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035947153 554103834 /nfs/dbraw/zinc/10/38/34/554103834.db2.gz DISJMVAWMSNJEE-HHHXNRCGSA-N 0 0 524.612 3.994 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035947166 554104020 /nfs/dbraw/zinc/10/40/20/554104020.db2.gz WPHKIPOKQDPYKV-MHZLTWQESA-N 0 0 536.648 3.863 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035947167 554104079 /nfs/dbraw/zinc/10/40/79/554104079.db2.gz WPHKIPOKQDPYKV-HHHXNRCGSA-N 0 0 536.648 3.863 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000035947180 554104101 /nfs/dbraw/zinc/10/41/01/554104101.db2.gz RSZZUANHELDFAY-MHZLTWQESA-N 0 0 506.622 3.854 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000035947181 554104082 /nfs/dbraw/zinc/10/40/82/554104082.db2.gz RSZZUANHELDFAY-HHHXNRCGSA-N 0 0 506.622 3.854 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947276 554103978 /nfs/dbraw/zinc/10/39/78/554103978.db2.gz FBQGGMYEEHDDTQ-SANMLTNESA-N 0 0 523.653 3.954 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947277 554104041 /nfs/dbraw/zinc/10/40/41/554104041.db2.gz FBQGGMYEEHDDTQ-AREMUKBSSA-N 0 0 523.653 3.954 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 ZINC000035947280 554104106 /nfs/dbraw/zinc/10/41/06/554104106.db2.gz FVCCYAOOELDKAD-SANMLTNESA-N 0 0 509.626 3.564 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 ZINC000035947281 554104025 /nfs/dbraw/zinc/10/40/25/554104025.db2.gz FVCCYAOOELDKAD-AREMUKBSSA-N 0 0 509.626 3.564 50 0 KHAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947284 554104059 /nfs/dbraw/zinc/10/40/59/554104059.db2.gz QXAAMOWLPMRDEU-QHCPKHFHSA-N 0 0 511.692 3.877 50 0 KHAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947285 554104096 /nfs/dbraw/zinc/10/40/96/554104096.db2.gz QXAAMOWLPMRDEU-HSZRJFAPSA-N 0 0 511.692 3.877 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947294 554104092 /nfs/dbraw/zinc/10/40/92/554104092.db2.gz ZPWJAYUDDOFVPI-QHCPKHFHSA-N 0 0 527.691 3.577 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035947295 554104035 /nfs/dbraw/zinc/10/40/35/554104035.db2.gz ZPWJAYUDDOFVPI-HSZRJFAPSA-N 0 0 527.691 3.577 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035947302 554104064 /nfs/dbraw/zinc/10/40/64/554104064.db2.gz VIPCRJRDEHOFRG-VWLOTQADSA-N 0 0 527.616 3.785 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035947303 554104074 /nfs/dbraw/zinc/10/40/74/554104074.db2.gz VIPCRJRDEHOFRG-RUZDIDTESA-N 0 0 527.616 3.785 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F ZINC000035947310 554104217 /nfs/dbraw/zinc/10/42/17/554104217.db2.gz NVIIVRMUEYXOQI-QFIPXVFZSA-N 0 0 515.655 3.707 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F ZINC000035947311 554104246 /nfs/dbraw/zinc/10/42/46/554104246.db2.gz NVIIVRMUEYXOQI-JOCHJYFZSA-N 0 0 515.655 3.707 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035947318 554104241 /nfs/dbraw/zinc/10/42/41/554104241.db2.gz SBTMDMAMMSILTB-VWLOTQADSA-N 0 0 530.044 3.909 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035947319 554104274 /nfs/dbraw/zinc/10/42/74/554104274.db2.gz SBTMDMAMMSILTB-RUZDIDTESA-N 0 0 530.044 3.909 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1F ZINC000035947320 554104228 /nfs/dbraw/zinc/10/42/28/554104228.db2.gz REQXHJQHENNQCN-VWLOTQADSA-N 0 0 530.044 3.911 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1F ZINC000035947321 554104271 /nfs/dbraw/zinc/10/42/71/554104271.db2.gz REQXHJQHENNQCN-RUZDIDTESA-N 0 0 530.044 3.911 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000035947328 554104249 /nfs/dbraw/zinc/10/42/49/554104249.db2.gz OQAPHYGGXLGEFP-QFIPXVFZSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000035947329 554104263 /nfs/dbraw/zinc/10/42/63/554104263.db2.gz OQAPHYGGXLGEFP-JOCHJYFZSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C ZINC000035947332 554104269 /nfs/dbraw/zinc/10/42/69/554104269.db2.gz GLGVZXISIJGUHW-QFIPXVFZSA-N 0 0 500.571 3.587 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C ZINC000035947333 554104266 /nfs/dbraw/zinc/10/42/66/554104266.db2.gz GLGVZXISIJGUHW-JOCHJYFZSA-N 0 0 500.571 3.587 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000035947356 554104244 /nfs/dbraw/zinc/10/42/44/554104244.db2.gz LZTUNWXQKWZRRY-VWLOTQADSA-N 0 0 530.044 3.909 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000035947357 554104292 /nfs/dbraw/zinc/10/42/92/554104292.db2.gz LZTUNWXQKWZRRY-RUZDIDTESA-N 0 0 530.044 3.909 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000035947358 554104280 /nfs/dbraw/zinc/10/42/80/554104280.db2.gz GIVZVJKXOIDYLH-VWLOTQADSA-N 0 0 530.044 3.911 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000035947359 554104298 /nfs/dbraw/zinc/10/42/98/554104298.db2.gz GIVZVJKXOIDYLH-RUZDIDTESA-N 0 0 530.044 3.911 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000035947360 554104221 /nfs/dbraw/zinc/10/42/21/554104221.db2.gz DENYQLYCUWRNQA-VWLOTQADSA-N 0 0 530.044 3.909 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947361 554104259 /nfs/dbraw/zinc/10/42/59/554104259.db2.gz DENYQLYCUWRNQA-RUZDIDTESA-N 0 0 530.044 3.909 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035947364 554104277 /nfs/dbraw/zinc/10/42/77/554104277.db2.gz HYDCAZPHTQBMLK-VWLOTQADSA-N 0 0 527.616 3.785 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035947365 554104226 /nfs/dbraw/zinc/10/42/26/554104226.db2.gz HYDCAZPHTQBMLK-RUZDIDTESA-N 0 0 527.616 3.785 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 ZINC000035947560 554104693 /nfs/dbraw/zinc/10/46/93/554104693.db2.gz KZAMICPSCKJWHY-VWLOTQADSA-N 0 0 525.049 3.597 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 ZINC000035947561 554104708 /nfs/dbraw/zinc/10/47/08/554104708.db2.gz KZAMICPSCKJWHY-RUZDIDTESA-N 0 0 525.049 3.597 50 0 KHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000035947575 554104711 /nfs/dbraw/zinc/10/47/11/554104711.db2.gz ZIIQVPPRDVRRAV-QFIPXVFZSA-N 0 0 502.999 3.713 50 0 KHAARN CCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC ZINC000035947576 554104667 /nfs/dbraw/zinc/10/46/67/554104667.db2.gz ZIIQVPPRDVRRAV-JOCHJYFZSA-N 0 0 502.999 3.713 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000035947579 554104698 /nfs/dbraw/zinc/10/46/98/554104698.db2.gz JSMNRWBZRDOYGR-VWLOTQADSA-N 0 0 530.044 3.911 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(F)cc1 ZINC000035947580 554104725 /nfs/dbraw/zinc/10/47/25/554104725.db2.gz JSMNRWBZRDOYGR-RUZDIDTESA-N 0 0 530.044 3.911 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccco1 ZINC000035947761 554104944 /nfs/dbraw/zinc/10/49/44/554104944.db2.gz BYLYQIVSVSQLKM-DEOSSOPVSA-N 0 0 521.570 3.772 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccco1 ZINC000035947762 554104961 /nfs/dbraw/zinc/10/49/61/554104961.db2.gz BYLYQIVSVSQLKM-XMMPIXPASA-N 0 0 521.570 3.772 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 ZINC000035947765 554104981 /nfs/dbraw/zinc/10/49/81/554104981.db2.gz VPUKPQDYGFYDKR-VWLOTQADSA-N 0 0 509.603 3.665 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 ZINC000035947766 554104957 /nfs/dbraw/zinc/10/49/57/554104957.db2.gz VPUKPQDYGFYDKR-RUZDIDTESA-N 0 0 509.603 3.665 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000035947845 554104973 /nfs/dbraw/zinc/10/49/73/554104973.db2.gz WLFCAFVFZJABHV-FQEVSTJZSA-N 0 0 507.568 3.944 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)c3cccs3)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000035947846 554104997 /nfs/dbraw/zinc/10/49/97/554104997.db2.gz WLFCAFVFZJABHV-HXUWFJFHSA-N 0 0 507.568 3.944 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035947863 554104896 /nfs/dbraw/zinc/10/48/96/554104896.db2.gz JNCJZKCWCFEWHW-QFIPXVFZSA-N 0 0 503.068 3.896 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035947864 554104970 /nfs/dbraw/zinc/10/49/70/554104970.db2.gz JNCJZKCWCFEWHW-JOCHJYFZSA-N 0 0 503.068 3.896 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035947869 554105181 /nfs/dbraw/zinc/10/51/81/554105181.db2.gz WBYZRSNBBLWEFJ-QFIPXVFZSA-N 0 0 501.052 3.650 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035947870 554105164 /nfs/dbraw/zinc/10/51/64/554105164.db2.gz WBYZRSNBBLWEFJ-JOCHJYFZSA-N 0 0 501.052 3.650 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035947883 554105211 /nfs/dbraw/zinc/10/52/11/554105211.db2.gz WBIRIKXIKNPEIJ-QFIPXVFZSA-N 0 0 503.068 3.896 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947884 554105219 /nfs/dbraw/zinc/10/52/19/554105219.db2.gz WBIRIKXIKNPEIJ-JOCHJYFZSA-N 0 0 503.068 3.896 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035947889 554105189 /nfs/dbraw/zinc/10/51/89/554105189.db2.gz XWKGSHUZEBDSBG-QFIPXVFZSA-N 0 0 501.052 3.650 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035947890 554105223 /nfs/dbraw/zinc/10/52/23/554105223.db2.gz XWKGSHUZEBDSBG-JOCHJYFZSA-N 0 0 501.052 3.650 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000035947907 554105168 /nfs/dbraw/zinc/10/51/68/554105168.db2.gz UPIPRZNHBFDNAV-DEOSSOPVSA-N 0 0 512.651 3.916 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000035947908 554105179 /nfs/dbraw/zinc/10/51/79/554105179.db2.gz UPIPRZNHBFDNAV-XMMPIXPASA-N 0 0 512.651 3.916 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccco1 ZINC000035947917 554105412 /nfs/dbraw/zinc/10/54/12/554105412.db2.gz AOMNCWUKZBZKTN-QFIPXVFZSA-N 0 0 522.627 3.502 50 0 KHAARN COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccco1 ZINC000035947918 554105480 /nfs/dbraw/zinc/10/54/80/554105480.db2.gz AOMNCWUKZBZKTN-JOCHJYFZSA-N 0 0 522.627 3.502 50 0 KHAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccco1 ZINC000035947951 554105420 /nfs/dbraw/zinc/10/54/20/554105420.db2.gz LGIUBBRSZCTZRX-FQEVSTJZSA-N 0 0 512.657 3.863 50 0 KHAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccco1 ZINC000035947952 554105507 /nfs/dbraw/zinc/10/55/07/554105507.db2.gz LGIUBBRSZCTZRX-HXUWFJFHSA-N 0 0 512.657 3.863 50 0 KHAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1 ZINC000035947957 554105447 /nfs/dbraw/zinc/10/54/47/554105447.db2.gz ZGPWNKBDBQYITI-NRFANRHFSA-N 0 0 500.690 3.757 50 0 KHAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1 ZINC000035947958 554105402 /nfs/dbraw/zinc/10/54/02/554105402.db2.gz ZGPWNKBDBQYITI-OAQYLSRUSA-N 0 0 500.690 3.757 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948007 554105705 /nfs/dbraw/zinc/10/57/05/554105705.db2.gz ADYNYHXXOWFVMT-VWLOTQADSA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000035948008 554105684 /nfs/dbraw/zinc/10/56/84/554105684.db2.gz ADYNYHXXOWFVMT-RUZDIDTESA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948013 554105685 /nfs/dbraw/zinc/10/56/85/554105685.db2.gz KXYNWKRDAURKES-SANMLTNESA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000035948014 554105683 /nfs/dbraw/zinc/10/56/83/554105683.db2.gz KXYNWKRDAURKES-AREMUKBSSA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948021 554105724 /nfs/dbraw/zinc/10/57/24/554105724.db2.gz PSPHAYPAUUHMOB-MHZLTWQESA-N 0 0 524.612 3.994 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000035948022 554105744 /nfs/dbraw/zinc/10/57/44/554105744.db2.gz PSPHAYPAUUHMOB-HHHXNRCGSA-N 0 0 524.612 3.994 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000035948035 554105700 /nfs/dbraw/zinc/10/57/00/554105700.db2.gz XFPWTULDUPHWDK-NDEPHWFRSA-N 0 0 536.648 3.863 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000035948036 554105712 /nfs/dbraw/zinc/10/57/12/554105712.db2.gz XFPWTULDUPHWDK-MUUNZHRXSA-N 0 0 536.648 3.863 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000035948039 554105726 /nfs/dbraw/zinc/10/57/26/554105726.db2.gz YQEGINNCVJKKBB-SANMLTNESA-N 0 0 536.673 3.569 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035948040 554105969 /nfs/dbraw/zinc/10/59/69/554105969.db2.gz YQEGINNCVJKKBB-AREMUKBSSA-N 0 0 536.673 3.569 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@H](c3ccccc3)C2)cc1 ZINC000035948063 554106009 /nfs/dbraw/zinc/10/60/09/554106009.db2.gz MOTIQHJSTVEFAF-MHZLTWQESA-N 0 0 520.674 3.970 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@@H](c3ccccc3)C2)cc1 ZINC000035948064 554106048 /nfs/dbraw/zinc/10/60/48/554106048.db2.gz MOTIQHJSTVEFAF-HHHXNRCGSA-N 0 0 520.674 3.970 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccccc3)C2)cc1 ZINC000035948065 554106006 /nfs/dbraw/zinc/10/60/06/554106006.db2.gz ULGUOAKRFIFGCX-NDEPHWFRSA-N 0 0 518.658 3.724 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccccc3)C2)cc1 ZINC000035948066 554105999 /nfs/dbraw/zinc/10/59/99/554105999.db2.gz ULGUOAKRFIFGCX-MUUNZHRXSA-N 0 0 518.658 3.724 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)cc1 ZINC000035948173 554105957 /nfs/dbraw/zinc/10/59/57/554105957.db2.gz OSYIESBKFPCAGD-SANMLTNESA-N 0 0 518.589 3.879 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)cc1 ZINC000035948174 554106177 /nfs/dbraw/zinc/10/61/77/554106177.db2.gz OSYIESBKFPCAGD-AREMUKBSSA-N 0 0 518.589 3.879 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1 ZINC000035948179 554106207 /nfs/dbraw/zinc/10/62/07/554106207.db2.gz HRZLKLBVGWLHHJ-MHZLTWQESA-N 0 0 506.622 3.773 50 0 KHAARN 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COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000035948215 554106157 /nfs/dbraw/zinc/10/61/57/554106157.db2.gz CMNCDWIVBCLEAZ-QHCPKHFHSA-N 0 0 522.627 3.502 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@@H](c3ccco3)C2)cc1 ZINC000035948216 554106185 /nfs/dbraw/zinc/10/61/85/554106185.db2.gz CMNCDWIVBCLEAZ-HSZRJFAPSA-N 0 0 522.627 3.502 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@H](c3ccco3)C2)cc1 ZINC000035948221 554106165 /nfs/dbraw/zinc/10/61/65/554106165.db2.gz YNLHMDGTHUJDDQ-DEOSSOPVSA-N 0 0 510.635 3.563 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000035948222 554106203 /nfs/dbraw/zinc/10/62/03/554106203.db2.gz YNLHMDGTHUJDDQ-XMMPIXPASA-N 0 0 510.635 3.563 50 0 KHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(OC)cc1 ZINC000035948678 554106447 /nfs/dbraw/zinc/10/64/47/554106447.db2.gz IFEWCLLTNZWPQA-QFIPXVFZSA-N 0 0 521.595 3.952 50 0 KHAARN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)c1ccc(OC)cc1 ZINC000035948679 554106647 /nfs/dbraw/zinc/10/66/47/554106647.db2.gz IFEWCLLTNZWPQA-JOCHJYFZSA-N 0 0 521.595 3.952 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035948864 554106632 /nfs/dbraw/zinc/10/66/32/554106632.db2.gz XKHYGGIFTHSOAL-SANMLTNESA-N 0 0 523.653 3.954 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000035948865 554106626 /nfs/dbraw/zinc/10/66/26/554106626.db2.gz XKHYGGIFTHSOAL-AREMUKBSSA-N 0 0 523.653 3.954 50 0 KHAARN Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 ZINC000035948866 554106654 /nfs/dbraw/zinc/10/66/54/554106654.db2.gz FDVWTPKYILSKIL-SANMLTNESA-N 0 0 509.626 3.564 50 0 KHAARN Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)C)cc1 ZINC000035948867 554106658 /nfs/dbraw/zinc/10/66/58/554106658.db2.gz FDVWTPKYILSKIL-AREMUKBSSA-N 0 0 509.626 3.564 50 0 KHAARN 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CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1Cl ZINC000035949164 554106890 /nfs/dbraw/zinc/10/68/90/554106890.db2.gz GROJJJVEVGEJNO-QFIPXVFZSA-N 0 0 518.083 3.833 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1Cl ZINC000035949165 554106920 /nfs/dbraw/zinc/10/69/20/554106920.db2.gz GROJJJVEVGEJNO-JOCHJYFZSA-N 0 0 518.083 3.833 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035949170 554107044 /nfs/dbraw/zinc/10/70/44/554107044.db2.gz QQOYXUHRTTWDFD-QFIPXVFZSA-N 0 0 518.083 3.831 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 ZINC000035949171 554107052 /nfs/dbraw/zinc/10/70/52/554107052.db2.gz QQOYXUHRTTWDFD-JOCHJYFZSA-N 0 0 518.083 3.831 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 ZINC000035949172 554107033 /nfs/dbraw/zinc/10/70/33/554107033.db2.gz ZTCNAFKUCVBAQA-QFIPXVFZSA-N 0 0 518.083 3.833 50 0 KHAARN 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CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000035949186 554107027 /nfs/dbraw/zinc/10/70/27/554107027.db2.gz XIGDWYLZPKAGMX-IBGZPJMESA-N 0 0 503.694 3.630 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000035949187 554107057 /nfs/dbraw/zinc/10/70/57/554107057.db2.gz XIGDWYLZPKAGMX-LJQANCHMSA-N 0 0 503.694 3.630 50 0 KHAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000035949192 554107039 /nfs/dbraw/zinc/10/70/39/554107039.db2.gz OCBJOKGKLZIHHV-FQEVSTJZSA-N 0 0 517.721 3.938 50 0 KHAARN Cc1ccsc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000035949193 554107062 /nfs/dbraw/zinc/10/70/62/554107062.db2.gz OCBJOKGKLZIHHV-HXUWFJFHSA-N 0 0 517.721 3.938 50 0 KHAARN Cc1ccsc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C ZINC000035949196 554107061 /nfs/dbraw/zinc/10/70/61/554107061.db2.gz QUWNYAFEBMVLJQ-FQEVSTJZSA-N 0 0 503.694 3.548 50 0 KHAARN 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COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960587 554108564 /nfs/dbraw/zinc/10/85/64/554108564.db2.gz FISVXVHCUQBZCO-SANMLTNESA-N 0 0 525.049 3.597 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000035960588 554108602 /nfs/dbraw/zinc/10/86/02/554108602.db2.gz FISVXVHCUQBZCO-AREMUKBSSA-N 0 0 525.049 3.597 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035960683 554108605 /nfs/dbraw/zinc/10/86/05/554108605.db2.gz BPOLJRIBOARJMO-QHCPKHFHSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C ZINC000035960684 554108557 /nfs/dbraw/zinc/10/85/57/554108557.db2.gz BPOLJRIBOARJMO-HSZRJFAPSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1)C(=O)NC(C)C ZINC000035960687 554108843 /nfs/dbraw/zinc/10/88/43/554108843.db2.gz XIUIBVACIXDNGY-QHCPKHFHSA-N 0 0 500.571 3.587 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1)C(=O)NC(C)C ZINC000035960688 554108868 /nfs/dbraw/zinc/10/88/68/554108868.db2.gz XIUIBVACIXDNGY-HSZRJFAPSA-N 0 0 500.571 3.587 50 0 KHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 ZINC000035960689 554108871 /nfs/dbraw/zinc/10/88/71/554108871.db2.gz XWUUFMUFYLEJKP-QHCPKHFHSA-N 0 0 500.571 3.589 50 0 KHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000035960690 554108881 /nfs/dbraw/zinc/10/88/81/554108881.db2.gz XWUUFMUFYLEJKP-HSZRJFAPSA-N 0 0 500.571 3.589 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035960940 554108891 /nfs/dbraw/zinc/10/88/91/554108891.db2.gz FBXGFIQJDFIPGK-VWLOTQADSA-N 0 0 509.603 3.665 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035960941 554108878 /nfs/dbraw/zinc/10/88/78/554108878.db2.gz FBXGFIQJDFIPGK-RUZDIDTESA-N 0 0 509.603 3.665 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961140 554109480 /nfs/dbraw/zinc/10/94/80/554109480.db2.gz GLSICXCPHDXJES-VWLOTQADSA-N 0 0 515.029 3.974 50 0 KHAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961141 554109375 /nfs/dbraw/zinc/10/93/75/554109375.db2.gz GLSICXCPHDXJES-RUZDIDTESA-N 0 0 515.029 3.974 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961144 554109417 /nfs/dbraw/zinc/10/94/17/554109417.db2.gz HXOFPGIDUPPANJ-VWLOTQADSA-N 0 0 513.013 3.728 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961145 554109410 /nfs/dbraw/zinc/10/94/10/554109410.db2.gz HXOFPGIDUPPANJ-RUZDIDTESA-N 0 0 513.013 3.728 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035961160 554109473 /nfs/dbraw/zinc/10/94/73/554109473.db2.gz MHCIOSXRVWIMAV-MHZLTWQESA-N 0 0 536.648 3.863 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCCC1 ZINC000035961161 554109428 /nfs/dbraw/zinc/10/94/28/554109428.db2.gz MHCIOSXRVWIMAV-HHHXNRCGSA-N 0 0 536.648 3.863 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000035961162 554109365 /nfs/dbraw/zinc/10/93/65/554109365.db2.gz UEAWNNRJAAXFKY-DEOSSOPVSA-N 0 0 526.634 3.847 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1)C(=O)NC(C)(C)C ZINC000035961163 554109476 /nfs/dbraw/zinc/10/94/76/554109476.db2.gz UEAWNNRJAAXFKY-XMMPIXPASA-N 0 0 526.634 3.847 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035961176 554109361 /nfs/dbraw/zinc/10/93/61/554109361.db2.gz OEZSVVJSKJJLPZ-QHCPKHFHSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F)C(=O)NC(C)(C)C ZINC000035961177 554109378 /nfs/dbraw/zinc/10/93/78/554109378.db2.gz OEZSVVJSKJJLPZ-HSZRJFAPSA-N 0 0 514.598 3.977 50 0 KHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F ZINC000035961178 554109391 /nfs/dbraw/zinc/10/93/91/554109391.db2.gz JPKDBVHSEUTNJN-QHCPKHFHSA-N 0 0 500.571 3.589 50 0 KHAARN CCCNC(=O)N(CCOC)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F ZINC000035961179 554109451 /nfs/dbraw/zinc/10/94/51/554109451.db2.gz JPKDBVHSEUTNJN-HSZRJFAPSA-N 0 0 500.571 3.589 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961222 554109675 /nfs/dbraw/zinc/10/96/75/554109675.db2.gz QOQPLELQGCTRSC-VWLOTQADSA-N 0 0 530.044 3.909 50 0 KHAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961223 554109606 /nfs/dbraw/zinc/10/96/06/554109606.db2.gz QOQPLELQGCTRSC-RUZDIDTESA-N 0 0 530.044 3.909 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000035961224 554109735 /nfs/dbraw/zinc/10/97/35/554109735.db2.gz ZMQCWAROWLOARM-VWLOTQADSA-N 0 0 530.044 3.911 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000035961225 554109739 /nfs/dbraw/zinc/10/97/39/554109739.db2.gz ZMQCWAROWLOARM-RUZDIDTESA-N 0 0 530.044 3.911 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C ZINC000035961294 554109621 /nfs/dbraw/zinc/10/96/21/554109621.db2.gz LLFIKEDHBUTZCV-MHZLTWQESA-N 0 0 520.674 3.807 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C(C)C ZINC000035961295 554109659 /nfs/dbraw/zinc/10/96/59/554109659.db2.gz LLFIKEDHBUTZCV-HHHXNRCGSA-N 0 0 520.674 3.807 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1 ZINC000035961296 554109663 /nfs/dbraw/zinc/10/96/63/554109663.db2.gz BKNONWFQYPGDOX-NDEPHWFRSA-N 0 0 532.685 3.951 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CCC1 ZINC000035961297 554109685 /nfs/dbraw/zinc/10/96/85/554109685.db2.gz BKNONWFQYPGDOX-MUUNZHRXSA-N 0 0 532.685 3.951 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1OC ZINC000035961298 554109724 /nfs/dbraw/zinc/10/97/24/554109724.db2.gz NMTWPFVLQXJPRO-SANMLTNESA-N 0 0 506.647 3.561 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1OC ZINC000035961299 554109709 /nfs/dbraw/zinc/10/97/09/554109709.db2.gz NMTWPFVLQXJPRO-AREMUKBSSA-N 0 0 506.647 3.561 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 ZINC000035961300 554109669 /nfs/dbraw/zinc/10/96/69/554109669.db2.gz RYNSQFQVEYJRIY-MHZLTWQESA-N 0 0 518.658 3.561 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1 ZINC000035961301 554109650 /nfs/dbraw/zinc/10/96/50/554109650.db2.gz RYNSQFQVEYJRIY-HHHXNRCGSA-N 0 0 518.658 3.561 50 0 KHAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccco3)C2)cc1C ZINC000035961312 554109611 /nfs/dbraw/zinc/10/96/11/554109611.db2.gz HFJAGBIDEZCIEE-DEOSSOPVSA-N 0 0 509.651 3.716 50 0 KHAARN Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccco3)C2)cc1C ZINC000035961313 554109629 /nfs/dbraw/zinc/10/96/29/554109629.db2.gz HFJAGBIDEZCIEE-XMMPIXPASA-N 0 0 509.651 3.716 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C ZINC000035961330 554109908 /nfs/dbraw/zinc/10/99/08/554109908.db2.gz CTZHABLCSSFGRD-MHZLTWQESA-N 0 0 535.689 3.742 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)C ZINC000035961331 554109943 /nfs/dbraw/zinc/10/99/43/554109943.db2.gz CTZHABLCSSFGRD-HHHXNRCGSA-N 0 0 535.689 3.742 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1OC ZINC000035961332 554109878 /nfs/dbraw/zinc/10/98/78/554109878.db2.gz DKBXJGDKYQSELF-MHZLTWQESA-N 0 0 535.689 3.744 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1OC ZINC000035961333 554109921 /nfs/dbraw/zinc/10/99/21/554109921.db2.gz DKBXJGDKYQSELF-HHHXNRCGSA-N 0 0 535.689 3.744 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F ZINC000035961522 554109940 /nfs/dbraw/zinc/10/99/40/554109940.db2.gz LYRCPHLAEUZYBC-VWLOTQADSA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F ZINC000035961523 554109922 /nfs/dbraw/zinc/10/99/22/554109922.db2.gz LYRCPHLAEUZYBC-RUZDIDTESA-N 0 0 522.552 3.710 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F ZINC000035961526 554109884 /nfs/dbraw/zinc/10/98/84/554109884.db2.gz NMIPVXBELRJASO-SANMLTNESA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F ZINC000035961527 554109929 /nfs/dbraw/zinc/10/99/29/554109929.db2.gz NMIPVXBELRJASO-AREMUKBSSA-N 0 0 510.585 3.603 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F ZINC000035961532 554109881 /nfs/dbraw/zinc/10/98/81/554109881.db2.gz NAPFIEULNMUVLJ-MHZLTWQESA-N 0 0 524.612 3.994 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F ZINC000035961533 554109904 /nfs/dbraw/zinc/10/99/04/554109904.db2.gz NAPFIEULNMUVLJ-HHHXNRCGSA-N 0 0 524.612 3.994 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961657 554109946 /nfs/dbraw/zinc/10/99/46/554109946.db2.gz VPAUWWAUJWFRLC-QFIPXVFZSA-N 0 0 510.591 3.633 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1 ZINC000035961658 554109892 /nfs/dbraw/zinc/10/98/92/554109892.db2.gz VPAUWWAUJWFRLC-JOCHJYFZSA-N 0 0 510.591 3.633 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961679 554110158 /nfs/dbraw/zinc/11/01/58/554110158.db2.gz BLHBSTUKNRQIIV-DEOSSOPVSA-N 0 0 512.651 3.916 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1 ZINC000035961680 554110143 /nfs/dbraw/zinc/11/01/43/554110143.db2.gz BLHBSTUKNRQIIV-XMMPIXPASA-N 0 0 512.651 3.916 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000035961697 554110155 /nfs/dbraw/zinc/11/01/55/554110155.db2.gz PCDJJTMMCVMTFT-MHZLTWQESA-N 0 0 506.622 3.854 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000035961699 554110150 /nfs/dbraw/zinc/11/01/50/554110150.db2.gz PCDJJTMMCVMTFT-HHHXNRCGSA-N 0 0 506.622 3.854 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1F ZINC000035961733 554110218 /nfs/dbraw/zinc/11/02/18/554110218.db2.gz UUBSVJWBJLHMBZ-VWLOTQADSA-N 0 0 527.616 3.785 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1F ZINC000035961734 554110160 /nfs/dbraw/zinc/11/01/60/554110160.db2.gz UUBSVJWBJLHMBZ-RUZDIDTESA-N 0 0 527.616 3.785 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000035961739 554110140 /nfs/dbraw/zinc/11/01/40/554110140.db2.gz YUBXWAQCEKZGTA-QFIPXVFZSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000035961740 554110226 /nfs/dbraw/zinc/11/02/26/554110226.db2.gz YUBXWAQCEKZGTA-JOCHJYFZSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C ZINC000035961743 554110181 /nfs/dbraw/zinc/11/01/81/554110181.db2.gz YLYMERGRLIICOK-QFIPXVFZSA-N 0 0 500.571 3.587 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)C ZINC000035961744 554110132 /nfs/dbraw/zinc/11/01/32/554110132.db2.gz YLYMERGRLIICOK-JOCHJYFZSA-N 0 0 500.571 3.587 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cccs1 ZINC000035961779 554110238 /nfs/dbraw/zinc/11/02/38/554110238.db2.gz QDHIBVZUDCJTED-QFIPXVFZSA-N 0 0 515.655 3.707 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cccs1 ZINC000035961780 554110230 /nfs/dbraw/zinc/11/02/30/554110230.db2.gz QDHIBVZUDCJTED-JOCHJYFZSA-N 0 0 515.655 3.707 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 ZINC000035961787 554110452 /nfs/dbraw/zinc/11/04/52/554110452.db2.gz BDOZLZHMDCQCCT-VWLOTQADSA-N 0 0 509.626 3.646 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 ZINC000035961788 554110447 /nfs/dbraw/zinc/11/04/47/554110447.db2.gz BDOZLZHMDCQCCT-RUZDIDTESA-N 0 0 509.626 3.646 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000035962021 554110699 /nfs/dbraw/zinc/11/06/99/554110699.db2.gz YTJSIXXNOUZICM-NDEPHWFRSA-N 0 0 518.658 3.642 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000035962022 554110675 /nfs/dbraw/zinc/11/06/75/554110675.db2.gz YTJSIXXNOUZICM-MUUNZHRXSA-N 0 0 518.658 3.642 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)C(C)C ZINC000035962323 554110862 /nfs/dbraw/zinc/11/08/62/554110862.db2.gz YMTHXXCCKDWBRX-QHCPKHFHSA-N 0 0 527.618 3.530 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)C(C)C ZINC000035962325 554110868 /nfs/dbraw/zinc/11/08/68/554110868.db2.gz YMTHXXCCKDWBRX-HSZRJFAPSA-N 0 0 527.618 3.530 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccco1 ZINC000035962665 554110865 /nfs/dbraw/zinc/11/08/65/554110865.db2.gz CJDHNVARBDPRHN-QHCPKHFHSA-N 0 0 509.534 3.902 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)c1ccco1 ZINC000035962667 554111000 /nfs/dbraw/zinc/11/10/00/554111000.db2.gz CJDHNVARBDPRHN-HSZRJFAPSA-N 0 0 509.534 3.902 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000035962837 554111080 /nfs/dbraw/zinc/11/10/80/554111080.db2.gz CPZLIMYKXBXWMA-SANMLTNESA-N 0 0 527.065 3.843 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035962839 554110985 /nfs/dbraw/zinc/11/09/85/554110985.db2.gz CPZLIMYKXBXWMA-AREMUKBSSA-N 0 0 527.065 3.843 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl ZINC000035962841 554111013 /nfs/dbraw/zinc/11/10/13/554111013.db2.gz UITPVSZVSGBVCG-VWLOTQADSA-N 0 0 513.038 3.597 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl ZINC000035962843 554110979 /nfs/dbraw/zinc/11/09/79/554110979.db2.gz UITPVSZVSGBVCG-RUZDIDTESA-N 0 0 513.038 3.597 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000035962845 554110973 /nfs/dbraw/zinc/11/09/73/554110973.db2.gz JIWWTHAPLQXGST-SANMLTNESA-N 0 0 525.049 3.597 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000035962848 554110976 /nfs/dbraw/zinc/11/09/76/554110976.db2.gz JIWWTHAPLQXGST-AREMUKBSSA-N 0 0 525.049 3.597 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(C)cc3)C2)c1 ZINC000035963152 554111297 /nfs/dbraw/zinc/11/12/97/554111297.db2.gz RYHFOWMNHFDHFY-MHZLTWQESA-N 0 0 535.689 3.824 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000035963154 554111263 /nfs/dbraw/zinc/11/12/63/554111263.db2.gz RYHFOWMNHFDHFY-HHHXNRCGSA-N 0 0 535.689 3.824 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000035963323 554111517 /nfs/dbraw/zinc/11/15/17/554111517.db2.gz OESPGTUSXOIUPT-NRFANRHFSA-N 0 0 512.607 3.839 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(C)C(=O)NC(C)(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000035963325 554111567 /nfs/dbraw/zinc/11/15/67/554111567.db2.gz OESPGTUSXOIUPT-OAQYLSRUSA-N 0 0 512.607 3.839 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC)C(=O)NC(C)(C)C ZINC000035963439 554111761 /nfs/dbraw/zinc/11/17/61/554111761.db2.gz GCFLGHGGJNMNLW-QHCPKHFHSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)NC(C)(C)C ZINC000035963441 554111789 /nfs/dbraw/zinc/11/17/89/554111789.db2.gz GCFLGHGGJNMNLW-HSZRJFAPSA-N 0 0 514.598 3.977 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C ZINC000035963443 554111803 /nfs/dbraw/zinc/11/18/03/554111803.db2.gz JGJSVYDJBHJJSQ-QHCPKHFHSA-N 0 0 500.571 3.587 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC)C(=O)NC(C)C ZINC000035963445 554111769 /nfs/dbraw/zinc/11/17/69/554111769.db2.gz JGJSVYDJBHJJSQ-HSZRJFAPSA-N 0 0 500.571 3.587 50 0 KHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 ZINC000035963837 554112082 /nfs/dbraw/zinc/11/20/82/554112082.db2.gz GMCWFQOFCJSULL-VWLOTQADSA-N 0 0 509.603 3.665 50 0 KHAARN COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC)C(=O)C1CCC1 ZINC000035963839 554111977 /nfs/dbraw/zinc/11/19/77/554111977.db2.gz GMCWFQOFCJSULL-RUZDIDTESA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1 ZINC000035966398 554112697 /nfs/dbraw/zinc/11/26/97/554112697.db2.gz SNRSYFSCCJYDKG-OZXSUGGESA-N 0 0 538.689 3.702 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1 ZINC000035966400 554112711 /nfs/dbraw/zinc/11/27/11/554112711.db2.gz SNRSYFSCCJYDKG-JYFHCDHNSA-N 0 0 538.689 3.702 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1 ZINC000035966402 554112681 /nfs/dbraw/zinc/11/26/81/554112681.db2.gz SNRSYFSCCJYDKG-BVAGGSTKSA-N 0 0 538.689 3.702 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1 ZINC000035966404 554112753 /nfs/dbraw/zinc/11/27/53/554112753.db2.gz SNRSYFSCCJYDKG-ZEQKJWHPSA-N 0 0 538.689 3.702 50 0 KHAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccco3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966510 554112745 /nfs/dbraw/zinc/11/27/45/554112745.db2.gz YQZFARVNPAMZFN-SFTDATJTSA-N 0 0 504.509 3.822 50 0 KHAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccco3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966512 554112714 /nfs/dbraw/zinc/11/27/14/554112714.db2.gz YQZFARVNPAMZFN-RTWAWAEBSA-N 0 0 504.509 3.822 50 0 KHAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966514 554112732 /nfs/dbraw/zinc/11/27/32/554112732.db2.gz YQZFARVNPAMZFN-LEWJYISDSA-N 0 0 504.509 3.822 50 0 KHAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966516 554112787 /nfs/dbraw/zinc/11/27/87/554112787.db2.gz YQZFARVNPAMZFN-NHCUHLMSSA-N 0 0 504.509 3.822 50 0 KHAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccccn3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966525 554112689 /nfs/dbraw/zinc/11/26/89/554112689.db2.gz GHFCDSLLSQDKQV-VXKWHMMOSA-N 0 0 515.536 3.624 50 0 KHAARN CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccccn3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966527 554112717 /nfs/dbraw/zinc/11/27/17/554112717.db2.gz GHFCDSLLSQDKQV-YADHBBJMSA-N 0 0 515.536 3.624 50 0 KHAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccccn3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966529 554112789 /nfs/dbraw/zinc/11/27/89/554112789.db2.gz GHFCDSLLSQDKQV-FCHUYYIVSA-N 0 0 515.536 3.624 50 0 KHAARN CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccccn3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035966532 554112749 /nfs/dbraw/zinc/11/27/49/554112749.db2.gz GHFCDSLLSQDKQV-FGZHOGPDSA-N 0 0 515.536 3.624 50 0 KHAARN CC(C)C[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C ZINC000035966827 554112975 /nfs/dbraw/zinc/11/29/75/554112975.db2.gz JUKSDHAPVYDFAJ-UGKGYDQZSA-N 0 0 515.536 3.624 50 0 KHAARN CC(C)C[C@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C ZINC000035966830 554112958 /nfs/dbraw/zinc/11/29/58/554112958.db2.gz JUKSDHAPVYDFAJ-KNQAVFIVSA-N 0 0 515.536 3.624 50 0 KHAARN CC(C)C[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C ZINC000035966832 554112985 /nfs/dbraw/zinc/11/29/85/554112985.db2.gz JUKSDHAPVYDFAJ-SIKLNZKXSA-N 0 0 515.536 3.624 50 0 KHAARN CC(C)C[C@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@@H](c1ccccc1C(F)(F)F)NC(=O)N2C ZINC000035966836 554112909 /nfs/dbraw/zinc/11/29/09/554112909.db2.gz JUKSDHAPVYDFAJ-DENIHFKCSA-N 0 0 515.536 3.624 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967169 554112935 /nfs/dbraw/zinc/11/29/35/554112935.db2.gz ZQUDBVCGSZDODQ-NDEPHWFRSA-N 0 0 525.609 3.805 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035967171 554112972 /nfs/dbraw/zinc/11/29/72/554112972.db2.gz ZQUDBVCGSZDODQ-MUUNZHRXSA-N 0 0 525.609 3.805 50 0 KHAARN CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981960 554118139 /nfs/dbraw/zinc/11/81/39/554118139.db2.gz YFVDOGFGRIZBLG-QFIPXVFZSA-N 0 0 501.986 3.725 50 0 KHAARN CC(C)CNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981961 554118018 /nfs/dbraw/zinc/11/80/18/554118018.db2.gz YFVDOGFGRIZBLG-JOCHJYFZSA-N 0 0 501.986 3.725 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981964 554118049 /nfs/dbraw/zinc/11/80/49/554118049.db2.gz LWGUCMNIDKDPNM-VGSWGCGISA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981965 554118306 /nfs/dbraw/zinc/11/83/06/554118306.db2.gz LWGUCMNIDKDPNM-JTSKRJEESA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981966 554118385 /nfs/dbraw/zinc/11/83/85/554118385.db2.gz LWGUCMNIDKDPNM-VGOFRKELSA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000035981967 554118376 /nfs/dbraw/zinc/11/83/76/554118376.db2.gz LWGUCMNIDKDPNM-HTAPYJJXSA-N 0 0 501.986 3.867 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982024 554118324 /nfs/dbraw/zinc/11/83/24/554118324.db2.gz ZIHDTHZBYNDNIZ-SANMLTNESA-N 0 0 530.600 3.573 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982025 554118524 /nfs/dbraw/zinc/11/85/24/554118524.db2.gz ZIHDTHZBYNDNIZ-AREMUKBSSA-N 0 0 530.600 3.573 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982026 554118505 /nfs/dbraw/zinc/11/85/05/554118505.db2.gz GVYATAZICXCCTK-SANMLTNESA-N 0 0 530.600 3.573 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035982027 554118530 /nfs/dbraw/zinc/11/85/30/554118530.db2.gz GVYATAZICXCCTK-AREMUKBSSA-N 0 0 530.600 3.573 50 0 KHAARN O=C1c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc21 ZINC000035982604 554118729 /nfs/dbraw/zinc/11/87/29/554118729.db2.gz YDKXOOWZKXDJPE-UHFFFAOYSA-N 0 0 656.830 3.911 50 0 KHAARN Cc1c2c(cc(=O)n1CCN1CCOCC1)n(CC(=O)Nc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000035982607 554118803 /nfs/dbraw/zinc/11/88/03/554118803.db2.gz XWCJGPBUHHKNJY-UHFFFAOYSA-N 0 0 623.533 3.605 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035986370 554118810 /nfs/dbraw/zinc/11/88/10/554118810.db2.gz HBCGMXWNWUFMJC-QHCPKHFHSA-N 0 0 514.022 3.594 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCC(C)C)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035986371 554118769 /nfs/dbraw/zinc/11/87/69/554118769.db2.gz HBCGMXWNWUFMJC-HSZRJFAPSA-N 0 0 514.022 3.594 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986420 554119083 /nfs/dbraw/zinc/11/90/83/554119083.db2.gz AQYSUSRDSMYXAO-DEOSSOPVSA-N 0 0 507.631 3.608 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)CC(C)(C)C)CC3)cc1 ZINC000035986421 554119092 /nfs/dbraw/zinc/11/90/92/554119092.db2.gz AQYSUSRDSMYXAO-XMMPIXPASA-N 0 0 507.631 3.608 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035986474 554119300 /nfs/dbraw/zinc/11/93/00/554119300.db2.gz WQBDMXTUISZERH-MHZLTWQESA-N 0 0 527.621 3.794 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035986475 554119328 /nfs/dbraw/zinc/11/93/28/554119328.db2.gz WQBDMXTUISZERH-HHHXNRCGSA-N 0 0 527.621 3.794 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986506 554119259 /nfs/dbraw/zinc/11/92/59/554119259.db2.gz RKKMJWZDHLETCH-JPYJTQIMSA-N 0 0 514.022 3.737 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986507 554119237 /nfs/dbraw/zinc/11/92/37/554119237.db2.gz RKKMJWZDHLETCH-MBSDFSHPSA-N 0 0 514.022 3.737 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986508 554119266 /nfs/dbraw/zinc/11/92/66/554119266.db2.gz RKKMJWZDHLETCH-WZONZLPQSA-N 0 0 514.022 3.737 50 0 KHAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986509 554119286 /nfs/dbraw/zinc/11/92/86/554119286.db2.gz RKKMJWZDHLETCH-FDDCHVKYSA-N 0 0 514.022 3.737 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 ZINC000035986526 554119230 /nfs/dbraw/zinc/11/92/30/554119230.db2.gz OCJCLPSTVXHGTF-RDPSFJRHSA-N 0 0 507.631 3.778 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 ZINC000035986527 554119306 /nfs/dbraw/zinc/11/93/06/554119306.db2.gz OCJCLPSTVXHGTF-YKSBVNFPSA-N 0 0 507.631 3.778 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 ZINC000035986528 554119290 /nfs/dbraw/zinc/11/92/90/554119290.db2.gz OCJCLPSTVXHGTF-GBXCKJPGSA-N 0 0 507.631 3.778 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)C(C)(C)C)CC3)cc1 ZINC000035986529 554119280 /nfs/dbraw/zinc/11/92/80/554119280.db2.gz OCJCLPSTVXHGTF-HYBUGGRVSA-N 0 0 507.631 3.778 50 0 KHAARN O=C(NCc1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986733 554119518 /nfs/dbraw/zinc/11/95/18/554119518.db2.gz DRLSEBXALARDIA-VWLOTQADSA-N 0 0 501.558 3.616 50 0 KHAARN O=C(NCc1ccccc1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986734 554119559 /nfs/dbraw/zinc/11/95/59/554119559.db2.gz DRLSEBXALARDIA-RUZDIDTESA-N 0 0 501.558 3.616 50 0 KHAARN O=C(NCc1ccccc1)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986753 554119553 /nfs/dbraw/zinc/11/95/53/554119553.db2.gz QLKULVYJOWZQKM-VWLOTQADSA-N 0 0 501.558 3.616 50 0 KHAARN O=C(NCc1ccccc1)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986754 554119539 /nfs/dbraw/zinc/11/95/39/554119539.db2.gz QLKULVYJOWZQKM-RUZDIDTESA-N 0 0 501.558 3.616 50 0 KHAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986775 554119526 /nfs/dbraw/zinc/11/95/26/554119526.db2.gz DPIVWHARUMIJJF-QHCPKHFHSA-N 0 0 507.974 3.723 50 0 KHAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986776 554119544 /nfs/dbraw/zinc/11/95/44/554119544.db2.gz DPIVWHARUMIJJF-HSZRJFAPSA-N 0 0 507.974 3.723 50 0 KHAARN CC(C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986811 554119557 /nfs/dbraw/zinc/11/95/57/554119557.db2.gz AICHQZHQWADXGJ-NRFANRHFSA-N 0 0 504.414 3.992 50 0 KHAARN CC(C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986812 554119546 /nfs/dbraw/zinc/11/95/46/554119546.db2.gz AICHQZHQWADXGJ-OAQYLSRUSA-N 0 0 504.414 3.992 50 0 KHAARN CCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986813 554119644 /nfs/dbraw/zinc/11/96/44/554119644.db2.gz OIPGBDYNSGKNKT-NRFANRHFSA-N 0 0 504.414 3.993 50 0 KHAARN CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986814 554119648 /nfs/dbraw/zinc/11/96/48/554119648.db2.gz OIPGBDYNSGKNKT-OAQYLSRUSA-N 0 0 504.414 3.993 50 0 KHAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986845 554119640 /nfs/dbraw/zinc/11/96/40/554119640.db2.gz FFOPMEALBFCLJK-QHCPKHFHSA-N 0 0 507.974 3.723 50 0 KHAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986846 554119701 /nfs/dbraw/zinc/11/97/01/554119701.db2.gz FFOPMEALBFCLJK-HSZRJFAPSA-N 0 0 507.974 3.723 50 0 KHAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986849 554119653 /nfs/dbraw/zinc/11/96/53/554119653.db2.gz AKXZYBXLRKTSTN-DEOSSOPVSA-N 0 0 519.001 3.525 50 0 KHAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986850 554119659 /nfs/dbraw/zinc/11/96/59/554119659.db2.gz AKXZYBXLRKTSTN-XMMPIXPASA-N 0 0 519.001 3.525 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986937 554119952 /nfs/dbraw/zinc/11/99/52/554119952.db2.gz JCXQXLRRHFWRTF-DEOSSOPVSA-N 0 0 505.546 3.517 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986938 554119902 /nfs/dbraw/zinc/11/99/02/554119902.db2.gz JCXQXLRRHFWRTF-XMMPIXPASA-N 0 0 505.546 3.517 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986939 554119970 /nfs/dbraw/zinc/11/99/70/554119970.db2.gz YNSMPKFHCRHIMI-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986940 554119968 /nfs/dbraw/zinc/11/99/68/554119968.db2.gz YNSMPKFHCRHIMI-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986957 554120109 /nfs/dbraw/zinc/12/01/09/554120109.db2.gz FIBQXWCPSFMQCL-MHZLTWQESA-N 0 0 527.621 3.794 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986958 554120086 /nfs/dbraw/zinc/12/00/86/554120086.db2.gz FIBQXWCPSFMQCL-HHHXNRCGSA-N 0 0 527.621 3.794 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)C2CC2)CC3)c1 ZINC000035986987 554120045 /nfs/dbraw/zinc/12/00/45/554120045.db2.gz GHCZXPQZNPJXEC-QHCPKHFHSA-N 0 0 529.559 3.900 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)COC23CCN(C(=O)C2CC2)CC3)c1 ZINC000035986988 554120081 /nfs/dbraw/zinc/12/00/81/554120081.db2.gz GHCZXPQZNPJXEC-HSZRJFAPSA-N 0 0 529.559 3.900 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987035 554120073 /nfs/dbraw/zinc/12/00/73/554120073.db2.gz OAFCHEGBUVHKRW-DEOSSOPVSA-N 0 0 505.546 3.517 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987036 554120101 /nfs/dbraw/zinc/12/01/01/554120101.db2.gz OAFCHEGBUVHKRW-XMMPIXPASA-N 0 0 505.546 3.517 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987037 554120041 /nfs/dbraw/zinc/12/00/41/554120041.db2.gz QRJPZUJTPXRZBJ-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987038 554120033 /nfs/dbraw/zinc/12/00/33/554120033.db2.gz QRJPZUJTPXRZBJ-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987097 554120358 /nfs/dbraw/zinc/12/03/58/554120358.db2.gz OSGQBXFSJKLAHY-MHZLTWQESA-N 0 0 527.621 3.794 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987098 554120369 /nfs/dbraw/zinc/12/03/69/554120369.db2.gz OSGQBXFSJKLAHY-HHHXNRCGSA-N 0 0 527.621 3.794 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987131 554120510 /nfs/dbraw/zinc/12/05/10/554120510.db2.gz GRHPRYUAGJAIHV-VWLOTQADSA-N 0 0 501.583 3.686 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987132 554120485 /nfs/dbraw/zinc/12/04/85/554120485.db2.gz GRHPRYUAGJAIHV-RUZDIDTESA-N 0 0 501.583 3.686 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987171 554120870 /nfs/dbraw/zinc/12/08/70/554120870.db2.gz LUSHQLNCGHYWRC-MHZLTWQESA-N 0 0 526.637 3.742 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987172 554120885 /nfs/dbraw/zinc/12/08/85/554120885.db2.gz LUSHQLNCGHYWRC-HHHXNRCGSA-N 0 0 526.637 3.742 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987173 554120889 /nfs/dbraw/zinc/12/08/89/554120889.db2.gz NZPQFUYAZQXCQS-SANMLTNESA-N 0 0 515.610 3.940 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987174 554120796 /nfs/dbraw/zinc/12/07/96/554120796.db2.gz NZPQFUYAZQXCQS-AREMUKBSSA-N 0 0 515.610 3.940 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987175 554120818 /nfs/dbraw/zinc/12/08/18/554120818.db2.gz MNHXTDZOLSDZQU-MHZLTWQESA-N 0 0 526.637 3.742 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987176 554120810 /nfs/dbraw/zinc/12/08/10/554120810.db2.gz MNHXTDZOLSDZQU-HHHXNRCGSA-N 0 0 526.637 3.742 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987177 554120856 /nfs/dbraw/zinc/12/08/56/554120856.db2.gz DJOOSCXQSSOVMU-MHZLTWQESA-N 0 0 526.637 3.742 50 0 KHAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035987178 554120866 /nfs/dbraw/zinc/12/08/66/554120866.db2.gz DJOOSCXQSSOVMU-HHHXNRCGSA-N 0 0 526.637 3.742 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987321 554120836 /nfs/dbraw/zinc/12/08/36/554120836.db2.gz WEPLDHACZRSLKM-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987322 554120800 /nfs/dbraw/zinc/12/08/00/554120800.db2.gz WEPLDHACZRSLKM-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1cccs1)CC2 ZINC000035987361 554121004 /nfs/dbraw/zinc/12/10/04/554121004.db2.gz GUZYPFJKXJLAHF-QHCPKHFHSA-N 0 0 503.624 3.846 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1cccs1)CC2 ZINC000035987362 554121035 /nfs/dbraw/zinc/12/10/35/554121035.db2.gz GUZYPFJKXJLAHF-HSZRJFAPSA-N 0 0 503.624 3.846 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)C1CC1)CC2 ZINC000035987409 554121065 /nfs/dbraw/zinc/12/10/65/554121065.db2.gz YXAJMSTZOCTGJB-QHCPKHFHSA-N 0 0 529.559 3.900 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)COC12CCN(C(=O)C1CC1)CC2 ZINC000035987410 554121014 /nfs/dbraw/zinc/12/10/14/554121014.db2.gz YXAJMSTZOCTGJB-HSZRJFAPSA-N 0 0 529.559 3.900 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987437 554121040 /nfs/dbraw/zinc/12/10/40/554121040.db2.gz HQKHRRBTMUBKEX-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccc2)COC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000035987438 554121056 /nfs/dbraw/zinc/12/10/56/554121056.db2.gz HQKHRRBTMUBKEX-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987514 554121275 /nfs/dbraw/zinc/12/12/75/554121275.db2.gz BKBLOKBBENQQSF-VWLOTQADSA-N 0 0 501.583 3.686 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000035987515 554121357 /nfs/dbraw/zinc/12/13/57/554121357.db2.gz BKBLOKBBENQQSF-RUZDIDTESA-N 0 0 501.583 3.686 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987692 554121829 /nfs/dbraw/zinc/12/18/29/554121829.db2.gz OMPPPMIAPBLAOD-MHZLTWQESA-N 0 0 527.621 3.794 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987693 554121760 /nfs/dbraw/zinc/12/17/60/554121760.db2.gz OMPPPMIAPBLAOD-HHHXNRCGSA-N 0 0 527.621 3.794 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987742 554121975 /nfs/dbraw/zinc/12/19/75/554121975.db2.gz DOMQEBLSKLIURB-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2F)CC3)cc1 ZINC000035987743 554121971 /nfs/dbraw/zinc/12/19/71/554121971.db2.gz DOMQEBLSKLIURB-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987760 554121988 /nfs/dbraw/zinc/12/19/88/554121988.db2.gz HUJHEGKOWUZUML-MHZLTWQESA-N 0 0 527.621 3.794 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)c1 ZINC000035987761 554121963 /nfs/dbraw/zinc/12/19/63/554121963.db2.gz HUJHEGKOWUZUML-HHHXNRCGSA-N 0 0 527.621 3.794 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000035987792 554122250 /nfs/dbraw/zinc/12/22/50/554122250.db2.gz CINKBCWKOBEQTC-VWLOTQADSA-N 0 0 517.651 3.775 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000035987793 554122293 /nfs/dbraw/zinc/12/22/93/554122293.db2.gz CINKBCWKOBEQTC-RUZDIDTESA-N 0 0 517.651 3.775 50 0 KHAARN CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccco1 ZINC000035988241 554122487 /nfs/dbraw/zinc/12/24/87/554122487.db2.gz KWSNXWHVTQYYER-IBGZPJMESA-N 0 0 508.402 3.832 50 0 KHAARN CC(C)CNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccco1 ZINC000035988242 554122437 /nfs/dbraw/zinc/12/24/37/554122437.db2.gz KWSNXWHVTQYYER-LJQANCHMSA-N 0 0 508.402 3.832 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989614 554122881 /nfs/dbraw/zinc/12/28/81/554122881.db2.gz PLHZNWYVVDZQIZ-UHFFFAOYSA-N 0 0 505.571 3.794 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(OC)cc3)on2)C1 ZINC000035989617 554122831 /nfs/dbraw/zinc/12/28/31/554122831.db2.gz JGIQKTVBXVJYNJ-JOCHJYFZSA-N 0 0 505.571 3.794 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(OC)cc3)on2)C1 ZINC000035989618 554122857 /nfs/dbraw/zinc/12/28/57/554122857.db2.gz JGIQKTVBXVJYNJ-QFIPXVFZSA-N 0 0 505.571 3.794 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989906 554122854 /nfs/dbraw/zinc/12/28/54/554122854.db2.gz BYVFRCJQUBMQQN-VGSWGCGISA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989907 554122915 /nfs/dbraw/zinc/12/29/15/554122915.db2.gz BYVFRCJQUBMQQN-JTSKRJEESA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989908 554122877 /nfs/dbraw/zinc/12/28/77/554122877.db2.gz BYVFRCJQUBMQQN-VGOFRKELSA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989909 554122845 /nfs/dbraw/zinc/12/28/45/554122845.db2.gz BYVFRCJQUBMQQN-HTAPYJJXSA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989942 554123078 /nfs/dbraw/zinc/12/30/78/554123078.db2.gz SKBURJGRQMCEAS-VGSWGCGISA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989943 554123086 /nfs/dbraw/zinc/12/30/86/554123086.db2.gz SKBURJGRQMCEAS-JTSKRJEESA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989944 554123134 /nfs/dbraw/zinc/12/31/34/554123134.db2.gz SKBURJGRQMCEAS-VGOFRKELSA-N 0 0 501.986 3.867 50 0 KHAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989945 554123058 /nfs/dbraw/zinc/12/30/58/554123058.db2.gz SKBURJGRQMCEAS-HTAPYJJXSA-N 0 0 501.986 3.867 50 0 KHAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccc1)N2C(=O)c1cccc(F)c1 ZINC000035989952 554123072 /nfs/dbraw/zinc/12/30/72/554123072.db2.gz WXYMSZNYGPFXHA-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccccc1)N2C(=O)c1cccc(F)c1 ZINC000035989953 554123121 /nfs/dbraw/zinc/12/31/21/554123121.db2.gz WXYMSZNYGPFXHA-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN CC(C)CNC(=O)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989979 554123515 /nfs/dbraw/zinc/12/35/15/554123515.db2.gz IUDIHDDVVSROQM-QFIPXVFZSA-N 0 0 501.986 3.725 50 0 KHAARN CC(C)CNC(=O)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989980 554123489 /nfs/dbraw/zinc/12/34/89/554123489.db2.gz IUDIHDDVVSROQM-JOCHJYFZSA-N 0 0 501.986 3.725 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990032 554123480 /nfs/dbraw/zinc/12/34/80/554123480.db2.gz ZZTLBNRSWYEROR-DEOSSOPVSA-N 0 0 507.631 3.608 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990033 554123385 /nfs/dbraw/zinc/12/33/85/554123385.db2.gz ZZTLBNRSWYEROR-XMMPIXPASA-N 0 0 507.631 3.608 50 0 KHAARN COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000035990350 554123782 /nfs/dbraw/zinc/12/37/82/554123782.db2.gz IMAVPMDCXROROQ-UHFFFAOYSA-N 0 0 506.994 3.895 50 0 KHAARN COCc1nc2c(c(C)nn2-c2ccc(C)cc2)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000035990421 554123628 /nfs/dbraw/zinc/12/36/28/554123628.db2.gz APPSOSOQQWIXHG-UHFFFAOYSA-N 0 0 527.050 3.743 50 0 KHAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991478 554124104 /nfs/dbraw/zinc/12/41/04/554124104.db2.gz ZMBSHERITMAWOK-NRFANRHFSA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991479 554124178 /nfs/dbraw/zinc/12/41/78/554124178.db2.gz ZMBSHERITMAWOK-OAQYLSRUSA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991580 554124098 /nfs/dbraw/zinc/12/40/98/554124098.db2.gz VLYSRBKESLVXTQ-SANMLTNESA-N 0 0 506.603 3.546 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991581 554124138 /nfs/dbraw/zinc/12/41/38/554124138.db2.gz VLYSRBKESLVXTQ-AREMUKBSSA-N 0 0 506.603 3.546 50 0 KHAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991718 554124131 /nfs/dbraw/zinc/12/41/31/554124131.db2.gz YTEWIMXAUJUTOY-NRFANRHFSA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991719 554124165 /nfs/dbraw/zinc/12/41/65/554124165.db2.gz YTEWIMXAUJUTOY-OAQYLSRUSA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991720 554124070 /nfs/dbraw/zinc/12/40/70/554124070.db2.gz PPKPYZUJHFHWHW-KKSFZXQISA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991721 554124085 /nfs/dbraw/zinc/12/40/85/554124085.db2.gz PPKPYZUJHFHWHW-HRAATJIYSA-N 0 0 511.541 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991814 554124142 /nfs/dbraw/zinc/12/41/42/554124142.db2.gz MRSGHHPFBXKOSY-QFIPXVFZSA-N 0 0 511.450 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000035991815 554124348 /nfs/dbraw/zinc/12/43/48/554124348.db2.gz MRSGHHPFBXKOSY-JOCHJYFZSA-N 0 0 511.450 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991846 554124386 /nfs/dbraw/zinc/12/43/86/554124386.db2.gz QRXSGDSMVKAXFQ-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991847 554124312 /nfs/dbraw/zinc/12/43/12/554124312.db2.gz QRXSGDSMVKAXFQ-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991852 554124283 /nfs/dbraw/zinc/12/42/83/554124283.db2.gz ZBRXFLOGPBAYAQ-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991853 554124310 /nfs/dbraw/zinc/12/43/10/554124310.db2.gz ZBRXFLOGPBAYAQ-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991926 554124566 /nfs/dbraw/zinc/12/45/66/554124566.db2.gz RYDAWHWPRYDOMS-CJAUYULYSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991927 554124575 /nfs/dbraw/zinc/12/45/75/554124575.db2.gz RYDAWHWPRYDOMS-IQGLISFBSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991934 554124569 /nfs/dbraw/zinc/12/45/69/554124569.db2.gz OXPIDSKCJUZHNY-HXOBKFHXSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991935 554124589 /nfs/dbraw/zinc/12/45/89/554124589.db2.gz OXPIDSKCJUZHNY-UZUQRXQVSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991940 554124615 /nfs/dbraw/zinc/12/46/15/554124615.db2.gz XTCBJLZDVNDLPF-CLOONOSVSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991941 554124580 /nfs/dbraw/zinc/12/45/80/554124580.db2.gz XTCBJLZDVNDLPF-KBMIEXCESA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991942 554124583 /nfs/dbraw/zinc/12/45/83/554124583.db2.gz PJHUWHWTEWUMMR-IBVKSMDESA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991943 554124577 /nfs/dbraw/zinc/12/45/77/554124577.db2.gz PJHUWHWTEWUMMR-FQRUVTKNSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000035991946 554124586 /nfs/dbraw/zinc/12/45/86/554124586.db2.gz NLKAFOJVMMGFGG-CJAUYULYSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000035991947 554124619 /nfs/dbraw/zinc/12/46/19/554124619.db2.gz NLKAFOJVMMGFGG-IQGLISFBSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000035991964 554124541 /nfs/dbraw/zinc/12/45/41/554124541.db2.gz RCJOEHPGYHOPPZ-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000035991965 554124603 /nfs/dbraw/zinc/12/46/03/554124603.db2.gz RCJOEHPGYHOPPZ-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000035991966 554124530 /nfs/dbraw/zinc/12/45/30/554124530.db2.gz HVUVVSBXIKDVTF-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000035991967 554124561 /nfs/dbraw/zinc/12/45/61/554124561.db2.gz HVUVVSBXIKDVTF-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035991985 554124528 /nfs/dbraw/zinc/12/45/28/554124528.db2.gz UHNIYCPJSJLNFF-UHFFFAOYSA-N 0 0 502.571 3.739 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035992049 554124762 /nfs/dbraw/zinc/12/47/62/554124762.db2.gz CSSUYCJTSSXALT-QFQXNSOFSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000035992050 554124845 /nfs/dbraw/zinc/12/48/45/554124845.db2.gz CSSUYCJTSSXALT-RLWLMLJZSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992089 554125025 /nfs/dbraw/zinc/12/50/25/554125025.db2.gz GJGWDLQZWIKHJN-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992090 554125085 /nfs/dbraw/zinc/12/50/85/554125085.db2.gz GJGWDLQZWIKHJN-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992107 554125045 /nfs/dbraw/zinc/12/50/45/554125045.db2.gz STLKBLVUHXORRE-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992108 554125094 /nfs/dbraw/zinc/12/50/94/554125094.db2.gz STLKBLVUHXORRE-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992111 554125029 /nfs/dbraw/zinc/12/50/29/554125029.db2.gz XPHSYQPRZXUZSW-AREMUKBSSA-N 0 0 520.630 3.792 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992112 554125090 /nfs/dbraw/zinc/12/50/90/554125090.db2.gz XPHSYQPRZXUZSW-SANMLTNESA-N 0 0 520.630 3.792 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992113 554125059 /nfs/dbraw/zinc/12/50/59/554125059.db2.gz WHOGINIUSLJTMV-HHHXNRCGSA-N 0 0 532.641 3.937 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992114 554125064 /nfs/dbraw/zinc/12/50/64/554125064.db2.gz WHOGINIUSLJTMV-MHZLTWQESA-N 0 0 532.641 3.937 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992165 554125286 /nfs/dbraw/zinc/12/52/86/554125286.db2.gz IQDNWEDTOXBRNH-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992166 554125332 /nfs/dbraw/zinc/12/53/32/554125332.db2.gz IQDNWEDTOXBRNH-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992183 554125318 /nfs/dbraw/zinc/12/53/18/554125318.db2.gz MJJZRYCRFHHMAS-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992184 554125288 /nfs/dbraw/zinc/12/52/88/554125288.db2.gz MJJZRYCRFHHMAS-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992195 554125284 /nfs/dbraw/zinc/12/52/84/554125284.db2.gz CRUGGRBSJMSYLZ-HXOBKFHXSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992196 554125299 /nfs/dbraw/zinc/12/52/99/554125299.db2.gz CRUGGRBSJMSYLZ-UZUQRXQVSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992199 554125326 /nfs/dbraw/zinc/12/53/26/554125326.db2.gz CGUCCRHTDNPSAD-IBVKSMDESA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992200 554125277 /nfs/dbraw/zinc/12/52/77/554125277.db2.gz CGUCCRHTDNPSAD-FQRUVTKNSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992203 554125345 /nfs/dbraw/zinc/12/53/45/554125345.db2.gz BXXCVQFILWJTSC-CJAUYULYSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992204 554125296 /nfs/dbraw/zinc/12/52/96/554125296.db2.gz BXXCVQFILWJTSC-IQGLISFBSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035992211 554125350 /nfs/dbraw/zinc/12/53/50/554125350.db2.gz IJPMFNPEARVCLF-XMMPIXPASA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035992212 554125269 /nfs/dbraw/zinc/12/52/69/554125269.db2.gz IJPMFNPEARVCLF-DEOSSOPVSA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992261 554125589 /nfs/dbraw/zinc/12/55/89/554125589.db2.gz OBPXMXOOUPIYET-AREMUKBSSA-N 0 0 535.645 3.728 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035992262 554125679 /nfs/dbraw/zinc/12/56/79/554125679.db2.gz OBPXMXOOUPIYET-SANMLTNESA-N 0 0 535.645 3.728 50 0 KHAARN COc1ccc(-n2ncc3c2nc(C2CC2)nc3N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000035992376 554125826 /nfs/dbraw/zinc/12/58/26/554125826.db2.gz KQQXZCXGRDCZGB-UHFFFAOYSA-N 0 0 504.616 3.521 50 0 KHAARN COc1ccccc1N1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)ncc2C(=O)NCC2CC2)CC1 ZINC000035992377 554125875 /nfs/dbraw/zinc/12/58/75/554125875.db2.gz IYWGAEVASSPHOC-UHFFFAOYSA-N 0 0 533.629 3.644 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035992744 554125856 /nfs/dbraw/zinc/12/58/56/554125856.db2.gz VREQOWYNKYGZHU-XMMPIXPASA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035992745 554125847 /nfs/dbraw/zinc/12/58/47/554125847.db2.gz VREQOWYNKYGZHU-DEOSSOPVSA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992750 554125996 /nfs/dbraw/zinc/12/59/96/554125996.db2.gz DLIIUUGTTIJCNV-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992751 554126021 /nfs/dbraw/zinc/12/60/21/554126021.db2.gz DLIIUUGTTIJCNV-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992756 554126171 /nfs/dbraw/zinc/12/61/71/554126171.db2.gz BQJMCIAUBYXJFV-OPAMFIHVSA-N 0 0 517.051 3.761 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992757 554126175 /nfs/dbraw/zinc/12/61/75/554126175.db2.gz BQJMCIAUBYXJFV-ZHRRBRCNSA-N 0 0 517.051 3.761 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992764 554126148 /nfs/dbraw/zinc/12/61/48/554126148.db2.gz FPPGFGVETUGNCK-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992765 554126090 /nfs/dbraw/zinc/12/60/90/554126090.db2.gz FPPGFGVETUGNCK-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992766 554126085 /nfs/dbraw/zinc/12/60/85/554126085.db2.gz KCYLVXMGUUCMJL-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992767 554126057 /nfs/dbraw/zinc/12/60/57/554126057.db2.gz KCYLVXMGUUCMJL-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992784 554126002 /nfs/dbraw/zinc/12/60/02/554126002.db2.gz DLGNYPQDLAAKKU-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992785 554126061 /nfs/dbraw/zinc/12/60/61/554126061.db2.gz DLGNYPQDLAAKKU-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992786 554126154 /nfs/dbraw/zinc/12/61/54/554126154.db2.gz HPAZFRCVTUAFLT-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992787 554126034 /nfs/dbraw/zinc/12/60/34/554126034.db2.gz HPAZFRCVTUAFLT-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992810 554126094 /nfs/dbraw/zinc/12/60/94/554126094.db2.gz QXRIWMYUJFUNFR-CLOONOSVSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992811 554126181 /nfs/dbraw/zinc/12/61/81/554126181.db2.gz QXRIWMYUJFUNFR-KBMIEXCESA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992812 554126014 /nfs/dbraw/zinc/12/60/14/554126014.db2.gz AAOYMORAPRYKSM-IBVKSMDESA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992813 554126052 /nfs/dbraw/zinc/12/60/52/554126052.db2.gz AAOYMORAPRYKSM-FQRUVTKNSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992816 554126098 /nfs/dbraw/zinc/12/60/98/554126098.db2.gz QJKRNRHIMQECOB-CJAUYULYSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992817 554126118 /nfs/dbraw/zinc/12/61/18/554126118.db2.gz QJKRNRHIMQECOB-IQGLISFBSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992820 554126128 /nfs/dbraw/zinc/12/61/28/554126128.db2.gz YUPROMIBTHHAKC-VWLOTQADSA-N 0 0 526.584 3.716 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992821 554126188 /nfs/dbraw/zinc/12/61/88/554126188.db2.gz YUPROMIBTHHAKC-RUZDIDTESA-N 0 0 526.584 3.716 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992822 554126073 /nfs/dbraw/zinc/12/60/73/554126073.db2.gz AKMQSPQPXGONRA-VWLOTQADSA-N 0 0 526.584 3.716 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992823 554126104 /nfs/dbraw/zinc/12/61/04/554126104.db2.gz AKMQSPQPXGONRA-RUZDIDTESA-N 0 0 526.584 3.716 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992848 554126458 /nfs/dbraw/zinc/12/64/58/554126458.db2.gz WTZGBRQEFSNNFY-HOYKHHGWSA-N 0 0 511.022 3.700 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992849 554126388 /nfs/dbraw/zinc/12/63/88/554126388.db2.gz WTZGBRQEFSNNFY-KOSHJBKYSA-N 0 0 511.022 3.700 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000035992864 554126447 /nfs/dbraw/zinc/12/64/47/554126447.db2.gz XUHGPOWGHJNKNM-XMMPIXPASA-N 0 0 511.022 3.701 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035992865 554126394 /nfs/dbraw/zinc/12/63/94/554126394.db2.gz XUHGPOWGHJNKNM-DEOSSOPVSA-N 0 0 511.022 3.701 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)C4CCCC4)CC3)c(C(=O)N3CCCC3)c2)cc1 ZINC000035993109 554126661 /nfs/dbraw/zinc/12/66/61/554126661.db2.gz ORZIHDUIXMRAGR-UHFFFAOYSA-N 0 0 524.687 3.871 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993381 554126733 /nfs/dbraw/zinc/12/67/33/554126733.db2.gz CATGEHRZMNFBSG-QFQXNSOFSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993382 554126657 /nfs/dbraw/zinc/12/66/57/554126657.db2.gz CATGEHRZMNFBSG-RLWLMLJZSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993409 554126760 /nfs/dbraw/zinc/12/67/60/554126760.db2.gz BLFVLERYKXSKNY-AREMUKBSSA-N 0 0 504.631 3.665 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993410 554126623 /nfs/dbraw/zinc/12/66/23/554126623.db2.gz BLFVLERYKXSKNY-SANMLTNESA-N 0 0 504.631 3.665 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035993439 554126968 /nfs/dbraw/zinc/12/69/68/554126968.db2.gz CWLAVVGXRRDRSJ-XMMPIXPASA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035993440 554126953 /nfs/dbraw/zinc/12/69/53/554126953.db2.gz CWLAVVGXRRDRSJ-DEOSSOPVSA-N 0 0 511.022 3.620 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993459 554126984 /nfs/dbraw/zinc/12/69/84/554126984.db2.gz WUIZKJYFRBPTQG-CJFMBICVSA-N 0 0 505.619 3.747 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993460 554127072 /nfs/dbraw/zinc/12/70/72/554127072.db2.gz WUIZKJYFRBPTQG-NLFFAJNJSA-N 0 0 505.619 3.747 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993469 554126988 /nfs/dbraw/zinc/12/69/88/554126988.db2.gz DGBDQZADRTZZAY-RUZDIDTESA-N 0 0 505.619 3.748 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993470 554127022 /nfs/dbraw/zinc/12/70/22/554127022.db2.gz DGBDQZADRTZZAY-VWLOTQADSA-N 0 0 505.619 3.748 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993473 554126946 /nfs/dbraw/zinc/12/69/46/554126946.db2.gz PZVKIHVWEZKANQ-AREMUKBSSA-N 0 0 535.645 3.757 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)Nc3ccccc3OC)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993474 554127009 /nfs/dbraw/zinc/12/70/09/554127009.db2.gz PZVKIHVWEZKANQ-SANMLTNESA-N 0 0 535.645 3.757 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035993479 554126974 /nfs/dbraw/zinc/12/69/74/554126974.db2.gz KECQYWCRSXHYNH-HSZRJFAPSA-N 0 0 512.010 3.703 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035993480 554126965 /nfs/dbraw/zinc/12/69/65/554126965.db2.gz KECQYWCRSXHYNH-QHCPKHFHSA-N 0 0 512.010 3.703 50 0 KHAARN O=C(CN1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999857 554127271 /nfs/dbraw/zinc/12/72/71/554127271.db2.gz RJXPVZZFCMFYRF-MUUNZHRXSA-N 0 0 504.590 3.948 50 0 biogenic KHAARN O=C(CN1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000035999858 554127281 /nfs/dbraw/zinc/12/72/81/554127281.db2.gz RJXPVZZFCMFYRF-NDEPHWFRSA-N 0 0 504.590 3.948 50 0 biogenic KHAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(c2cc(Cl)ccc2C)CC1 ZINC000035999976 554127403 /nfs/dbraw/zinc/12/74/03/554127403.db2.gz ANWJKNDMHZJBPF-UHFFFAOYSA-N 0 0 500.983 3.694 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000022 554127242 /nfs/dbraw/zinc/12/72/42/554127242.db2.gz HJECSDSVACHRCZ-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000023 554127391 /nfs/dbraw/zinc/12/73/91/554127391.db2.gz HJECSDSVACHRCZ-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000024 554127279 /nfs/dbraw/zinc/12/72/79/554127279.db2.gz DUYMOLYRMFIBEV-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000025 554127236 /nfs/dbraw/zinc/12/72/36/554127236.db2.gz DUYMOLYRMFIBEV-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000028 554127319 /nfs/dbraw/zinc/12/73/19/554127319.db2.gz MHOYDSVAVMPSLW-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000029 554127297 /nfs/dbraw/zinc/12/72/97/554127297.db2.gz MHOYDSVAVMPSLW-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000036 554127258 /nfs/dbraw/zinc/12/72/58/554127258.db2.gz DJELTKTUOVUGIY-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000037 554127289 /nfs/dbraw/zinc/12/72/89/554127289.db2.gz DJELTKTUOVUGIY-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036000038 554127347 /nfs/dbraw/zinc/12/73/47/554127347.db2.gz JLKFRQKSWZRHDI-HSZRJFAPSA-N 0 0 503.043 3.578 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036000039 554127546 /nfs/dbraw/zinc/12/75/46/554127546.db2.gz JLKFRQKSWZRHDI-QHCPKHFHSA-N 0 0 503.043 3.578 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000133 554127563 /nfs/dbraw/zinc/12/75/63/554127563.db2.gz WDPXZRRTVWSCFZ-MZNJEOGPSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000134 554127674 /nfs/dbraw/zinc/12/76/74/554127674.db2.gz WDPXZRRTVWSCFZ-OSPHWJPCSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000191 554127878 /nfs/dbraw/zinc/12/78/78/554127878.db2.gz CBCPUWQXQINEAC-HOYKHHGWSA-N 0 0 509.582 3.577 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000193 554127874 /nfs/dbraw/zinc/12/78/74/554127874.db2.gz CBCPUWQXQINEAC-KOSHJBKYSA-N 0 0 509.582 3.577 50 0 KHAARN O=C(CCN(c1nc(-c2cccc(Br)c2)nc2ccccc21)C1CC1)NCCN1CCOCC1 ZINC000036000662 554127862 /nfs/dbraw/zinc/12/78/62/554127862.db2.gz YWSCVWBQKYXAGB-UHFFFAOYSA-N 0 0 524.463 3.867 50 0 KHAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001050 554128220 /nfs/dbraw/zinc/12/82/20/554128220.db2.gz JYEKVSSDQOTZDB-UHFFFAOYSA-N 0 0 504.587 3.985 50 0 KHAARN CCN(CC)C(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001058 554128154 /nfs/dbraw/zinc/12/81/54/554128154.db2.gz UQVSJZXKSOLECC-UHFFFAOYSA-N 0 0 504.587 3.985 50 0 KHAARN CCN(CC)C(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1N1CCN(C(=O)c2ccco2)CC1 ZINC000036001060 554128191 /nfs/dbraw/zinc/12/81/91/554128191.db2.gz LHBHIQPSIUTANG-UHFFFAOYSA-N 0 0 518.570 3.705 50 0 KHAARN COCC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000036001256 554128676 /nfs/dbraw/zinc/12/86/76/554128676.db2.gz OJXPHQLMBBVUOY-UHFFFAOYSA-N 0 0 521.662 3.708 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000036001359 554128691 /nfs/dbraw/zinc/12/86/91/554128691.db2.gz BJZWWRYPFYVAJH-UHFFFAOYSA-N 0 0 509.559 3.777 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCN(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)cc3)on2)C1 ZINC000036001361 554128648 /nfs/dbraw/zinc/12/86/48/554128648.db2.gz QGRJIRLIATWCDX-HXUWFJFHSA-N 0 0 509.559 3.777 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)cc3)on2)C1 ZINC000036001362 554128645 /nfs/dbraw/zinc/12/86/45/554128645.db2.gz QGRJIRLIATWCDX-FQEVSTJZSA-N 0 0 509.559 3.777 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000036001498 554128684 /nfs/dbraw/zinc/12/86/84/554128684.db2.gz OXSBITNZDYFCAR-CLOONOSVSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000036001499 554128663 /nfs/dbraw/zinc/12/86/63/554128663.db2.gz OXSBITNZDYFCAR-KBMIEXCESA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000036001512 554128924 /nfs/dbraw/zinc/12/89/24/554128924.db2.gz CXXPSOHLGGQARF-RLWLMLJZSA-N 0 0 504.631 3.745 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000036001513 554128903 /nfs/dbraw/zinc/12/89/03/554128903.db2.gz CXXPSOHLGGQARF-QFQXNSOFSA-N 0 0 504.631 3.745 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000036001514 554128927 /nfs/dbraw/zinc/12/89/27/554128927.db2.gz QNEVSRLDXYVLJQ-CLOONOSVSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000036001515 554128877 /nfs/dbraw/zinc/12/88/77/554128877.db2.gz QNEVSRLDXYVLJQ-KBMIEXCESA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036001522 554128777 /nfs/dbraw/zinc/12/87/77/554128777.db2.gz RHHUKCFGVYPLAL-IBVKSMDESA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036001523 554128873 /nfs/dbraw/zinc/12/88/73/554128873.db2.gz RHHUKCFGVYPLAL-FQRUVTKNSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036001526 554128836 /nfs/dbraw/zinc/12/88/36/554128836.db2.gz TXXNKRCOOYWZNE-DEOSSOPVSA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036001527 554128795 /nfs/dbraw/zinc/12/87/95/554128795.db2.gz TXXNKRCOOYWZNE-XMMPIXPASA-N 0 0 529.012 3.841 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccc2)C(=O)c2cc(-c3cccc(OC)c3)on2)C1 ZINC000036002475 554129146 /nfs/dbraw/zinc/12/91/46/554129146.db2.gz JHJAXRKHNIINSI-JOCHJYFZSA-N 0 0 505.571 3.794 50 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CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036003246 554129263 /nfs/dbraw/zinc/12/92/63/554129263.db2.gz STRACPDQDGTVDC-AREMUKBSSA-N 0 0 504.631 3.665 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036003247 554129417 /nfs/dbraw/zinc/12/94/17/554129417.db2.gz STRACPDQDGTVDC-SANMLTNESA-N 0 0 504.631 3.665 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)C[C@@H]1C ZINC000036003296 554129762 /nfs/dbraw/zinc/12/97/62/554129762.db2.gz WKFIPSOZARIDSY-FNZWTVRRSA-N 0 0 535.645 3.728 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)C[C@H]1C ZINC000036003297 554129735 /nfs/dbraw/zinc/12/97/35/554129735.db2.gz WKFIPSOZARIDSY-IBVKSMDESA-N 0 0 535.645 3.728 50 0 KHAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000036003298 554129753 /nfs/dbraw/zinc/12/97/53/554129753.db2.gz PCNNBEKVNWRRPP-SANMLTNESA-N 0 0 535.645 3.729 50 0 KHAARN 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CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000036013839 554134836 /nfs/dbraw/zinc/13/48/36/554134836.db2.gz FAUYFWQJRNXQDQ-SANMLTNESA-N 0 0 522.621 3.886 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000036013841 554134762 /nfs/dbraw/zinc/13/47/62/554134762.db2.gz FAUYFWQJRNXQDQ-AREMUKBSSA-N 0 0 522.621 3.886 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013854 554134847 /nfs/dbraw/zinc/13/48/47/554134847.db2.gz VUPIMXMNBNVNFG-KOSHJBKYSA-N 0 0 517.070 3.966 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013856 554134860 /nfs/dbraw/zinc/13/48/60/554134860.db2.gz VUPIMXMNBNVNFG-HOYKHHGWSA-N 0 0 517.070 3.966 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013858 554134926 /nfs/dbraw/zinc/13/49/26/554134926.db2.gz HCNKJBGLPDSIRA-QHCPKHFHSA-N 0 0 515.010 3.685 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013860 554134851 /nfs/dbraw/zinc/13/48/51/554134851.db2.gz HCNKJBGLPDSIRA-HSZRJFAPSA-N 0 0 515.010 3.685 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013885 554134777 /nfs/dbraw/zinc/13/47/77/554134777.db2.gz ORYHLJKLNKPXKN-DEOSSOPVSA-N 0 0 517.070 3.968 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013887 554134801 /nfs/dbraw/zinc/13/48/01/554134801.db2.gz ORYHLJKLNKPXKN-XMMPIXPASA-N 0 0 517.070 3.968 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036013923 554135161 /nfs/dbraw/zinc/13/51/61/554135161.db2.gz IHHHZNPHPJASGJ-DEOSSOPVSA-N 0 0 513.683 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036013924 554135096 /nfs/dbraw/zinc/13/50/96/554135096.db2.gz IHHHZNPHPJASGJ-XMMPIXPASA-N 0 0 513.683 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036013993 554135097 /nfs/dbraw/zinc/13/50/97/554135097.db2.gz PBXYHSAKHVIFDP-VGSWGCGISA-N 0 0 520.074 3.758 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036013995 554135117 /nfs/dbraw/zinc/13/51/17/554135117.db2.gz PBXYHSAKHVIFDP-VGOFRKELSA-N 0 0 520.074 3.758 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000036014002 554135131 /nfs/dbraw/zinc/13/51/31/554135131.db2.gz AARUAULMXZVQFE-QFIPXVFZSA-N 0 0 520.074 3.759 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000036014004 554135109 /nfs/dbraw/zinc/13/51/09/554135109.db2.gz AARUAULMXZVQFE-JOCHJYFZSA-N 0 0 520.074 3.759 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014237 554135402 /nfs/dbraw/zinc/13/54/02/554135402.db2.gz YWIGMEGWLOQQRE-AREMUKBSSA-N 0 0 507.631 3.858 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014239 554135464 /nfs/dbraw/zinc/13/54/64/554135464.db2.gz YWIGMEGWLOQQRE-SANMLTNESA-N 0 0 507.631 3.858 50 0 KHAARN O=C1[C@@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1Cc1ccc(F)cc1 ZINC000036014241 554135515 /nfs/dbraw/zinc/13/55/15/554135515.db2.gz UFLVUNTZRPDEMM-RUZDIDTESA-N 0 0 511.594 3.689 50 0 KHAARN O=C1[C@H](Cc2ccccc2)NC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1Cc1ccc(F)cc1 ZINC000036014242 554135495 /nfs/dbraw/zinc/13/54/95/554135495.db2.gz UFLVUNTZRPDEMM-VWLOTQADSA-N 0 0 511.594 3.689 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014247 554135393 /nfs/dbraw/zinc/13/53/93/554135393.db2.gz HMUKZNJDNZEDPB-AREMUKBSSA-N 0 0 523.630 3.558 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](Cc2ccccc2)C(=O)N3Cc2ccc(F)cc2)cc1 ZINC000036014249 554135398 /nfs/dbraw/zinc/13/53/98/554135398.db2.gz HMUKZNJDNZEDPB-SANMLTNESA-N 0 0 523.630 3.558 50 0 KHAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCCc3ccccn3)Cc3ccco3)no2)c1 ZINC000036015134 554135491 /nfs/dbraw/zinc/13/54/91/554135491.db2.gz IEXSLHZGJSEUDD-UHFFFAOYSA-N 0 0 504.543 3.738 50 0 KHAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)C[C@@H]3CCCO3)no2)c1 ZINC000036015280 554135377 /nfs/dbraw/zinc/13/53/77/554135377.db2.gz AIYLCNIAOXSRHR-NRFANRHFSA-N 0 0 511.550 3.826 50 0 KHAARN COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)NCc3ccc(F)cc3)C[C@H]3CCCO3)no2)c1 ZINC000036015283 554135460 /nfs/dbraw/zinc/13/54/60/554135460.db2.gz AIYLCNIAOXSRHR-OAQYLSRUSA-N 0 0 511.550 3.826 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN(CC(C)C)C(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000036015362 554135426 /nfs/dbraw/zinc/13/54/26/554135426.db2.gz GJULDGRJXSZWGS-UHFFFAOYSA-N 0 0 515.607 3.649 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3cc(C)ccc3C)on2)CC1 ZINC000036015555 554135721 /nfs/dbraw/zinc/13/57/21/554135721.db2.gz LXDOLSUEAUKZNE-QFIPXVFZSA-N 0 0 511.619 3.771 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3cc(C)ccc3C)on2)CC1 ZINC000036015557 554135763 /nfs/dbraw/zinc/13/57/63/554135763.db2.gz LXDOLSUEAUKZNE-JOCHJYFZSA-N 0 0 511.619 3.771 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)cc2)C(C)C)cc1 ZINC000036016489 554135761 /nfs/dbraw/zinc/13/57/61/554135761.db2.gz YPBZMPYBPUBLFW-UHFFFAOYSA-N 0 0 509.651 3.815 50 0 KHAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2)CC1 ZINC000036016534 554135751 /nfs/dbraw/zinc/13/57/51/554135751.db2.gz XWOMQBKQDHNQIM-UHFFFAOYSA-N 0 0 509.626 3.833 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1)C(=O)C1CCC1 ZINC000036016568 554135779 /nfs/dbraw/zinc/13/57/79/554135779.db2.gz PFBMEUDHEYNXGD-UHFFFAOYSA-N 0 0 507.635 3.563 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1)C(=O)C1CCCC1 ZINC000036016576 554135739 /nfs/dbraw/zinc/13/57/39/554135739.db2.gz CTYWECULLXQRJF-UHFFFAOYSA-N 0 0 521.662 3.953 50 0 KHAARN CC(C)NC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)(C)C)CC2)cc1)Cc1ccccc1 ZINC000036016628 554136003 /nfs/dbraw/zinc/13/60/03/554136003.db2.gz PMWGGLRKCPHEQE-UHFFFAOYSA-N 0 0 508.667 3.875 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000036016853 554136095 /nfs/dbraw/zinc/13/60/95/554136095.db2.gz QGJYWFOJDJXOJG-NRFANRHFSA-N 0 0 526.465 3.632 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000036016855 554136045 /nfs/dbraw/zinc/13/60/45/554136045.db2.gz QGJYWFOJDJXOJG-OAQYLSRUSA-N 0 0 526.465 3.632 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000036017252 554136271 /nfs/dbraw/zinc/13/62/71/554136271.db2.gz PHBQXQYGRHZZCG-NRFANRHFSA-N 0 0 511.450 3.697 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000036017254 554136281 /nfs/dbraw/zinc/13/62/81/554136281.db2.gz PHBQXQYGRHZZCG-OAQYLSRUSA-N 0 0 511.450 3.697 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000036017264 554136283 /nfs/dbraw/zinc/13/62/83/554136283.db2.gz SLDPPEAHYWCQRL-QFIPXVFZSA-N 0 0 523.461 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000036017266 554136381 /nfs/dbraw/zinc/13/63/81/554136381.db2.gz SLDPPEAHYWCQRL-JOCHJYFZSA-N 0 0 523.461 3.841 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036017359 554136552 /nfs/dbraw/zinc/13/65/52/554136552.db2.gz QJCZHQXJHUHQEC-YKSBVNFPSA-N 0 0 513.683 3.721 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036017361 554136595 /nfs/dbraw/zinc/13/65/95/554136595.db2.gz QJCZHQXJHUHQEC-HYBUGGRVSA-N 0 0 513.683 3.721 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N(C)Cc2ccccc2)N3C(=O)c2ccccc2)c1 ZINC000036017364 554136546 /nfs/dbraw/zinc/13/65/46/554136546.db2.gz WDKNRLPNQCAVEW-MHZLTWQESA-N 0 0 527.621 3.827 50 0 KHAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N(C)Cc2ccccc2)N3C(=O)c2ccccc2)c1 ZINC000036017367 554136625 /nfs/dbraw/zinc/13/66/25/554136625.db2.gz WDKNRLPNQCAVEW-HHHXNRCGSA-N 0 0 527.621 3.827 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000036017374 554136611 /nfs/dbraw/zinc/13/66/11/554136611.db2.gz XTFZFDRCWRHEGL-DEOSSOPVSA-N 0 0 513.683 3.723 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000036017375 554136659 /nfs/dbraw/zinc/13/66/59/554136659.db2.gz XTFZFDRCWRHEGL-XMMPIXPASA-N 0 0 513.683 3.723 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036017398 554136641 /nfs/dbraw/zinc/13/66/41/554136641.db2.gz FEPGSYVHOPFJFK-IBVKSMDESA-N 0 0 535.645 3.837 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036017400 554136621 /nfs/dbraw/zinc/13/66/21/554136621.db2.gz FEPGSYVHOPFJFK-FQRUVTKNSA-N 0 0 535.645 3.837 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000036017423 554136607 /nfs/dbraw/zinc/13/66/07/554136607.db2.gz XCCBZJZXHIEKQX-NRFANRHFSA-N 0 0 526.465 3.632 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000036017425 554136644 /nfs/dbraw/zinc/13/66/44/554136644.db2.gz XCCBZJZXHIEKQX-OAQYLSRUSA-N 0 0 526.465 3.632 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2CC)C[C@@H]1C ZINC000036017431 554136915 /nfs/dbraw/zinc/13/69/15/554136915.db2.gz QJKWHSMEYVTAAQ-BTYIYWSLSA-N 0 0 526.465 3.632 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Cl)c3Cl)NC(=O)N2CC)C[C@H]1C ZINC000036017433 554136902 /nfs/dbraw/zinc/13/69/02/554136902.db2.gz QJKWHSMEYVTAAQ-VFNWGFHPSA-N 0 0 526.465 3.632 50 0 KHAARN O=C(Cc1cccs1)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccc1)N2C(=O)c1ccc(F)cc1 ZINC000036017851 554136975 /nfs/dbraw/zinc/13/69/75/554136975.db2.gz HIJOKGBZSVOTSK-DEOSSOPVSA-N 0 0 521.614 3.606 50 0 KHAARN O=C(Cc1cccs1)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccccc1)N2C(=O)c1ccc(F)cc1 ZINC000036017853 554136950 /nfs/dbraw/zinc/13/69/50/554136950.db2.gz HIJOKGBZSVOTSK-XMMPIXPASA-N 0 0 521.614 3.606 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000036017959 554136935 /nfs/dbraw/zinc/13/69/35/554136935.db2.gz PGLAVBDOKSHQFA-SANMLTNESA-N 0 0 515.585 3.924 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000036017961 554136880 /nfs/dbraw/zinc/13/68/80/554136880.db2.gz PGLAVBDOKSHQFA-AREMUKBSSA-N 0 0 515.585 3.924 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000036018369 554137203 /nfs/dbraw/zinc/13/72/03/554137203.db2.gz JIAJTZRXRDDGJL-DEOSSOPVSA-N 0 0 523.536 3.656 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000036018371 554137162 /nfs/dbraw/zinc/13/71/62/554137162.db2.gz JIAJTZRXRDDGJL-XMMPIXPASA-N 0 0 523.536 3.656 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000036018413 554137207 /nfs/dbraw/zinc/13/72/07/554137207.db2.gz VWIRRIPASPICFY-QHCPKHFHSA-N 0 0 503.624 3.846 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000036018415 554137142 /nfs/dbraw/zinc/13/71/42/554137142.db2.gz VWIRRIPASPICFY-HSZRJFAPSA-N 0 0 503.624 3.846 50 0 KHAARN CCC(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N2C(=O)c1ccccc1C ZINC000036018468 554137117 /nfs/dbraw/zinc/13/71/17/554137117.db2.gz SAZAERVROKCUEI-QFIPXVFZSA-N 0 0 517.548 3.900 50 0 KHAARN CCC(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N2C(=O)c1ccccc1C ZINC000036018471 554137224 /nfs/dbraw/zinc/13/72/24/554137224.db2.gz SAZAERVROKCUEI-JOCHJYFZSA-N 0 0 517.548 3.900 50 0 KHAARN C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2cccs2)[C@H](C)C1 ZINC000036019058 554137123 /nfs/dbraw/zinc/13/71/23/554137123.db2.gz KQFGSHFFBZPCGC-HOYKHHGWSA-N 0 0 526.634 3.803 50 0 KHAARN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2cccs2)[C@H](C)C1 ZINC000036019059 554137182 /nfs/dbraw/zinc/13/71/82/554137182.db2.gz KQFGSHFFBZPCGC-KOSHJBKYSA-N 0 0 526.634 3.803 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000036019086 554137157 /nfs/dbraw/zinc/13/71/57/554137157.db2.gz YWLZSDYDJKASFC-NRFANRHFSA-N 0 0 526.465 3.632 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000036019087 554137147 /nfs/dbraw/zinc/13/71/47/554137147.db2.gz YWLZSDYDJKASFC-OAQYLSRUSA-N 0 0 526.465 3.632 50 0 KHAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)c(Cl)c3)NC(=O)N2CC)CC1 ZINC000036019088 554137196 /nfs/dbraw/zinc/13/71/96/554137196.db2.gz MZKGNULWDJICJT-NRFANRHFSA-N 0 0 526.465 3.634 50 0 KHAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)c(Cl)c3)NC(=O)N2CC)CC1 ZINC000036019089 554137247 /nfs/dbraw/zinc/13/72/47/554137247.db2.gz MZKGNULWDJICJT-OAQYLSRUSA-N 0 0 526.465 3.634 50 0 KHAARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000036019090 554137130 /nfs/dbraw/zinc/13/71/30/554137130.db2.gz IUFOQMBADBSSEJ-WZONZLPQSA-N 0 0 532.085 3.924 50 0 KHAARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000036019091 554137237 /nfs/dbraw/zinc/13/72/37/554137237.db2.gz IUFOQMBADBSSEJ-JPYJTQIMSA-N 0 0 532.085 3.924 50 0 KHAARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@H](C)C1 ZINC000036019092 554137192 /nfs/dbraw/zinc/13/71/92/554137192.db2.gz BBYODIKYIYZWTO-WZONZLPQSA-N 0 0 518.058 3.534 50 0 KHAARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@H](C)C1 ZINC000036019093 554137103 /nfs/dbraw/zinc/13/71/03/554137103.db2.gz BBYODIKYIYZWTO-JPYJTQIMSA-N 0 0 518.058 3.534 50 0 KHAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)C3CCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019274 554137702 /nfs/dbraw/zinc/13/77/02/554137702.db2.gz OZCRTIVRAGXBTM-UHFFFAOYSA-N 0 0 510.610 3.570 50 0 KHAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)N2CCOCC2)CC1 ZINC000036019283 554137970 /nfs/dbraw/zinc/13/79/70/554137970.db2.gz RQWVDSNKVPZNKQ-UHFFFAOYSA-N 0 0 513.038 3.759 50 0 KHAARN CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)N2CCOCC2)CC1 ZINC000036019290 554137945 /nfs/dbraw/zinc/13/79/45/554137945.db2.gz JFYCRNTXUPJLQD-UHFFFAOYSA-N 0 0 513.038 3.759 50 0 KHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019292 554138056 /nfs/dbraw/zinc/13/80/56/554138056.db2.gz QZRNNVDOCZCFCC-UHFFFAOYSA-N 0 0 530.600 3.821 50 0 KHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4F)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019299 554138049 /nfs/dbraw/zinc/13/80/49/554138049.db2.gz GHEIEFUWOJGARS-UHFFFAOYSA-N 0 0 530.600 3.821 50 0 KHAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019300 554138024 /nfs/dbraw/zinc/13/80/24/554138024.db2.gz FLOLVKCZPZHWKR-UHFFFAOYSA-N 0 0 530.600 3.821 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1 ZINC000036019312 554137981 /nfs/dbraw/zinc/13/79/81/554137981.db2.gz WFUVCDCQDHQYJC-UHFFFAOYSA-N 0 0 516.573 3.513 50 0 KHAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000036019319 554137976 /nfs/dbraw/zinc/13/79/76/554137976.db2.gz IYZUQLWVEYAUMC-UHFFFAOYSA-N 0 0 530.600 3.821 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1Cl ZINC000036019326 554138053 /nfs/dbraw/zinc/13/80/53/554138053.db2.gz HYKPABDSZIWSTO-UHFFFAOYSA-N 0 0 525.049 3.904 50 0 KHAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019335 554138015 /nfs/dbraw/zinc/13/80/15/554138015.db2.gz SRZSZVYLDNGUMS-DEOSSOPVSA-N 0 0 530.625 3.847 50 0 KHAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019336 554137967 /nfs/dbraw/zinc/13/79/67/554137967.db2.gz SRZSZVYLDNGUMS-XMMPIXPASA-N 0 0 530.625 3.847 50 0 KHAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019337 554137986 /nfs/dbraw/zinc/13/79/86/554137986.db2.gz SHRDUFUZIZXYEP-DEOSSOPVSA-N 0 0 506.647 3.596 50 0 KHAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019338 554138007 /nfs/dbraw/zinc/13/80/07/554138007.db2.gz SHRDUFUZIZXYEP-XMMPIXPASA-N 0 0 506.647 3.596 50 0 KHAARN CC[C@H](C(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019339 554138041 /nfs/dbraw/zinc/13/80/41/554138041.db2.gz RRYHMIBGLSHACA-VWLOTQADSA-N 0 0 520.674 3.986 50 0 KHAARN CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000036019340 554138058 /nfs/dbraw/zinc/13/80/58/554138058.db2.gz RRYHMIBGLSHACA-RUZDIDTESA-N 0 0 520.674 3.986 50 0 KHAARN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCCC2)c1)c1ccc2c(c1)OCO2 ZINC000036019460 554138548 /nfs/dbraw/zinc/13/85/48/554138548.db2.gz SQHLVDDRVONMID-UHFFFAOYSA-N 0 0 518.614 3.742 50 0 KHAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036019499 554138539 /nfs/dbraw/zinc/13/85/39/554138539.db2.gz BPQXFPFVUHHNFO-UHFFFAOYSA-N 0 0 507.566 3.841 50 0 KHAARN COCC(=O)Nc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000036019519 554138773 /nfs/dbraw/zinc/13/87/73/554138773.db2.gz SLRAXAHNTLWFHI-UHFFFAOYSA-N 0 0 525.625 3.505 50 0 KHAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019539 554138787 /nfs/dbraw/zinc/13/87/87/554138787.db2.gz MAASVZPXVLTFGL-UHFFFAOYSA-N 0 0 523.634 3.506 50 0 KHAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000036019540 554138767 /nfs/dbraw/zinc/13/87/67/554138767.db2.gz SUHPHWVXPOIHCV-UHFFFAOYSA-N 0 0 535.645 3.650 50 0 KHAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036019552 554138816 /nfs/dbraw/zinc/13/88/16/554138816.db2.gz QFDIQVYVDNCNGD-UHFFFAOYSA-N 0 0 517.586 3.667 50 0 KHAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)CC(C)C)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036019554 554138764 /nfs/dbraw/zinc/13/87/64/554138764.db2.gz PQAIOVAXVXLNLI-UHFFFAOYSA-N 0 0 507.635 3.806 50 0 KHAARN Cc1cccc(NC(=O)N2CCN(c3ccc(NC(=O)C4CCCC4)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036019557 554138778 /nfs/dbraw/zinc/13/87/78/554138778.db2.gz IIDVGJVILSRVOU-UHFFFAOYSA-N 0 0 519.646 3.950 50 0 KHAARN CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1 ZINC000036019560 554139090 /nfs/dbraw/zinc/13/90/90/554139090.db2.gz YSGGRRUEERWSFI-UHFFFAOYSA-N 0 0 511.598 3.637 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1)C1CCCC1 ZINC000036019561 554139052 /nfs/dbraw/zinc/13/90/52/554139052.db2.gz GKPXLBPACBPAQT-UHFFFAOYSA-N 0 0 523.609 3.781 50 0 KHAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N2CCCCC2)CC1 ZINC000036019577 554139037 /nfs/dbraw/zinc/13/90/37/554139037.db2.gz HMCLBJZAFYOSBD-UHFFFAOYSA-N 0 0 535.645 3.924 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN(C(=O)C4CC4)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000036019663 554139437 /nfs/dbraw/zinc/13/94/37/554139437.db2.gz FWFNIKTVKKXTGI-UHFFFAOYSA-N 0 0 524.687 3.871 50 0 KHAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000036019723 554139283 /nfs/dbraw/zinc/13/92/83/554139283.db2.gz OYOVMWOXQZLIBN-UHFFFAOYSA-N 0 0 506.994 3.895 50 0 KHAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000036019731 554139385 /nfs/dbraw/zinc/13/93/85/554139385.db2.gz ZDEUQDQBDOUXJY-UHFFFAOYSA-N 0 0 506.994 3.895 50 0 KHAARN COCc1nc2c(c(C)nn2-c2cccc(Cl)c2)c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000036019732 554139376 /nfs/dbraw/zinc/13/93/76/554139376.db2.gz KYCBKXAUHFGVAW-UHFFFAOYSA-N 0 0 520.977 3.615 50 0 KHAARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@H](C)C1 ZINC000036019787 554139403 /nfs/dbraw/zinc/13/94/03/554139403.db2.gz ZNSPRVHVSZYSIB-WZONZLPQSA-N 0 0 532.085 3.924 50 0 KHAARN 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CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(C)c2)n1C1CCCCC1 ZINC000036031654 554145178 /nfs/dbraw/zinc/14/51/78/554145178.db2.gz LVYAWJSGVMLLLP-UHFFFAOYSA-N 0 0 531.723 3.534 50 0 KHAARN CC(C)NC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000036031824 554145465 /nfs/dbraw/zinc/14/54/65/554145465.db2.gz BHIVNWNDSSJILN-QHCPKHFHSA-N 0 0 500.621 3.749 50 0 KHAARN CC(C)NC(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000036031826 554145570 /nfs/dbraw/zinc/14/55/70/554145570.db2.gz BHIVNWNDSSJILN-HSZRJFAPSA-N 0 0 500.621 3.749 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1CC(C)C)C(=S)NC(C)C ZINC000036032029 554145393 /nfs/dbraw/zinc/14/53/93/554145393.db2.gz CVGAVQZDGQAPBL-UHFFFAOYSA-N 0 0 501.118 3.898 50 0 KHAARN CC(C)Cn1c(CN(CCN(C)C)C(=S)NC2CC2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036032045 554145493 /nfs/dbraw/zinc/14/54/93/554145493.db2.gz QXGDNUJMXMZHNK-UHFFFAOYSA-N 0 0 512.145 3.567 50 0 KHAARN CC(C)Cn1c(CN(CCN(C)C)C(=S)NC(C)C)cnc1S(=O)(=O)Cc1cccc(Cl)c1 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COCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)Cc1ccco1 ZINC000036049295 554154764 /nfs/dbraw/zinc/15/47/64/554154764.db2.gz WVHOSRFRWWKXAF-UHFFFAOYSA-N 0 0 504.543 3.763 50 0 KHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)C)cc1OC ZINC000036049340 554155142 /nfs/dbraw/zinc/15/51/42/554155142.db2.gz MQYLXJRYPPGUPF-QHCPKHFHSA-N 0 0 520.630 4.549 50 0 KHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)CC(C)C)cc1OC ZINC000036049341 554155145 /nfs/dbraw/zinc/15/51/45/554155145.db2.gz MQYLXJRYPPGUPF-HSZRJFAPSA-N 0 0 520.630 4.549 50 0 KHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)C2CC2)cc1OC ZINC000036049344 554155205 /nfs/dbraw/zinc/15/52/05/554155205.db2.gz NMCZQIVEICMEPG-QFIPXVFZSA-N 0 0 504.587 3.913 50 0 KHAARN COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(C[C@H]2CCCO2)C(=O)C2CC2)cc1OC ZINC000036049345 554155127 /nfs/dbraw/zinc/15/51/27/554155127.db2.gz NMCZQIVEICMEPG-JOCHJYFZSA-N 0 0 504.587 3.913 50 0 KHAARN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1C ZINC000036049370 554155416 /nfs/dbraw/zinc/15/54/16/554155416.db2.gz VXIZNSQMQJTPMA-UHFFFAOYSA-N 0 0 503.647 3.911 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000036049701 554156346 /nfs/dbraw/zinc/15/63/46/554156346.db2.gz GIHWZCJULBBCMO-UHFFFAOYSA-N 0 0 509.607 3.952 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000036051884 554157224 /nfs/dbraw/zinc/15/72/24/554157224.db2.gz NNEZAUICGRUBPT-UHFFFAOYSA-N 0 0 520.536 4.553 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1)C(=O)c1cccs1 ZINC000036051886 554157290 /nfs/dbraw/zinc/15/72/90/554157290.db2.gz ZRBGMPXRSMSRRD-UHFFFAOYSA-N 0 0 508.575 4.476 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1)C(=O)c1ccccc1F ZINC000036051889 554157320 /nfs/dbraw/zinc/15/73/20/554157320.db2.gz CBFCCFYGLCJDCW-UHFFFAOYSA-N 0 0 520.536 4.553 50 0 KHAARN Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000036053839 554158814 /nfs/dbraw/zinc/15/88/14/554158814.db2.gz JDHSEWXXYWEVAV-UHFFFAOYSA-N 0 0 520.678 3.931 50 0 KHAARN COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000036053895 554158994 /nfs/dbraw/zinc/15/89/94/554158994.db2.gz ZCNMJHYNXSSKQJ-UHFFFAOYSA-N 0 0 525.650 3.757 50 0 KHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054426 554159032 /nfs/dbraw/zinc/15/90/32/554159032.db2.gz KFUDTFLSYYULSS-VXKWHMMOSA-N 0 0 506.530 3.744 50 0 KHAARN COc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054427 554159069 /nfs/dbraw/zinc/15/90/69/554159069.db2.gz KFUDTFLSYYULSS-YADHBBJMSA-N 0 0 506.530 3.744 50 0 KHAARN COc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054428 554159026 /nfs/dbraw/zinc/15/90/26/554159026.db2.gz KFUDTFLSYYULSS-FCHUYYIVSA-N 0 0 506.530 3.744 50 0 KHAARN COc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2C(=O)NCc2ccc(F)cc2)c1OC ZINC000036054429 554159072 /nfs/dbraw/zinc/15/90/72/554159072.db2.gz KFUDTFLSYYULSS-FGZHOGPDSA-N 0 0 506.530 3.744 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(=O)c1ccco1 ZINC000036055572 554159372 /nfs/dbraw/zinc/15/93/72/554159372.db2.gz QXNQUNSLUBBVLT-UHFFFAOYSA-N 0 0 504.543 3.877 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1)C(=O)c1cccs1 ZINC000036055574 554159330 /nfs/dbraw/zinc/15/93/30/554159330.db2.gz WORZXAXFLUYJAR-UHFFFAOYSA-N 0 0 520.611 4.345 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036059929 554160443 /nfs/dbraw/zinc/16/04/43/554160443.db2.gz XFWWBUMDXROYSA-GOTSBHOMSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036059930 554160379 /nfs/dbraw/zinc/16/03/79/554160379.db2.gz XFWWBUMDXROYSA-PKTZIBPZSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036059931 554160417 /nfs/dbraw/zinc/16/04/17/554160417.db2.gz XFWWBUMDXROYSA-XZOQPEGZSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036059932 554160349 /nfs/dbraw/zinc/16/03/49/554160349.db2.gz XFWWBUMDXROYSA-DHIUTWEWSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036059973 554160424 /nfs/dbraw/zinc/16/04/24/554160424.db2.gz HYHOYWUPRARKSE-DNQXCXABSA-N 0 0 518.566 3.613 50 0 KHAARN COc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3OC)[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000036059975 554160353 /nfs/dbraw/zinc/16/03/53/554160353.db2.gz HYHOYWUPRARKSE-BJKOFHAPSA-N 0 0 518.566 3.613 50 0 KHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036059978 554160432 /nfs/dbraw/zinc/16/04/32/554160432.db2.gz HYHOYWUPRARKSE-RPWUZVMVSA-N 0 0 518.566 3.613 50 0 KHAARN COc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036059979 554160411 /nfs/dbraw/zinc/16/04/11/554160411.db2.gz HYHOYWUPRARKSE-ZEQRLZLVSA-N 0 0 518.566 3.613 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060005 554160430 /nfs/dbraw/zinc/16/04/30/554160430.db2.gz QTVPFSYWSYRQPS-DNQXCXABSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060007 554160338 /nfs/dbraw/zinc/16/03/38/554160338.db2.gz QTVPFSYWSYRQPS-BJKOFHAPSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060010 554160421 /nfs/dbraw/zinc/16/04/21/554160421.db2.gz QTVPFSYWSYRQPS-RPWUZVMVSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060012 554160345 /nfs/dbraw/zinc/16/03/45/554160345.db2.gz QTVPFSYWSYRQPS-ZEQRLZLVSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060022 554160639 /nfs/dbraw/zinc/16/06/39/554160639.db2.gz OBJLTYKMUZZIOZ-VXKWHMMOSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060023 554160670 /nfs/dbraw/zinc/16/06/70/554160670.db2.gz OBJLTYKMUZZIOZ-YADHBBJMSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060025 554160661 /nfs/dbraw/zinc/16/06/61/554160661.db2.gz OBJLTYKMUZZIOZ-FCHUYYIVSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3F)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060028 554160656 /nfs/dbraw/zinc/16/06/56/554160656.db2.gz OBJLTYKMUZZIOZ-FGZHOGPDSA-N 0 0 506.530 3.744 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060042 554160675 /nfs/dbraw/zinc/16/06/75/554160675.db2.gz MCOVXDGJZLJHJK-DNQXCXABSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060044 554160653 /nfs/dbraw/zinc/16/06/53/554160653.db2.gz MCOVXDGJZLJHJK-BJKOFHAPSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060045 554160615 /nfs/dbraw/zinc/16/06/15/554160615.db2.gz MCOVXDGJZLJHJK-RPWUZVMVSA-N 0 0 502.567 3.913 50 0 KHAARN COc1ccc([C@@H]2CN(C(=O)c3ccccc3C)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000036060046 554160686 /nfs/dbraw/zinc/16/06/86/554160686.db2.gz MCOVXDGJZLJHJK-ZEQRLZLVSA-N 0 0 502.567 3.913 50 0 KHAARN COc1cccc(C(=O)N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036060047 554160622 /nfs/dbraw/zinc/16/06/22/554160622.db2.gz LQFKRDJINYBDTI-DNQXCXABSA-N 0 0 518.566 3.613 50 0 KHAARN COc1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3OC)[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000036060048 554160607 /nfs/dbraw/zinc/16/06/07/554160607.db2.gz LQFKRDJINYBDTI-BJKOFHAPSA-N 0 0 518.566 3.613 50 0 KHAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036060049 554160636 /nfs/dbraw/zinc/16/06/36/554160636.db2.gz LQFKRDJINYBDTI-RPWUZVMVSA-N 0 0 518.566 3.613 50 0 KHAARN COc1cccc(C(=O)N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)[C@H](c3ccc(OC)cc3OC)C2)c1 ZINC000036060050 554160619 /nfs/dbraw/zinc/16/06/19/554160619.db2.gz LQFKRDJINYBDTI-ZEQRLZLVSA-N 0 0 518.566 3.613 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(OC)cc1 ZINC000036060933 554160678 /nfs/dbraw/zinc/16/06/78/554160678.db2.gz SDKNPNSHJFKQPA-UHFFFAOYSA-N 0 0 526.037 3.711 50 0 KHAARN COCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C[C@@H]1CCCO1 ZINC000036061095 554161323 /nfs/dbraw/zinc/16/13/23/554161323.db2.gz SLYFUVPZPYMBGC-DEOSSOPVSA-N 0 0 506.603 3.757 50 0 KHAARN COCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C[C@H]1CCCO1 ZINC000036061096 554161265 /nfs/dbraw/zinc/16/12/65/554161265.db2.gz SLYFUVPZPYMBGC-XMMPIXPASA-N 0 0 506.603 3.757 50 0 KHAARN CC(C)(C)c1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036061532 554161520 /nfs/dbraw/zinc/16/15/20/554161520.db2.gz NXJJQNZODGSALO-UHFFFAOYSA-N 0 0 534.657 3.965 50 0 KHAARN COCCNC(=O)c1cccc(CSc2nc(COC)cc(N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000036061597 554161718 /nfs/dbraw/zinc/16/17/18/554161718.db2.gz HSSNDSPMQZCJEA-UHFFFAOYSA-N 0 0 525.650 3.757 50 0 KHAARN COCc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n1 ZINC000036061626 554161705 /nfs/dbraw/zinc/16/17/05/554161705.db2.gz GHYANZYMZOGOGN-UHFFFAOYSA-N 0 0 521.687 3.614 50 0 KHAARN COCc1cc(N(C)Cc2ccccc2)nc(SCc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)n1 ZINC000036061637 554161742 /nfs/dbraw/zinc/16/17/42/554161742.db2.gz AQSOCTUDANFDSU-UHFFFAOYSA-N 0 0 519.671 3.856 50 0 KHAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000036061669 554161715 /nfs/dbraw/zinc/16/17/15/554161715.db2.gz CJTSERQXZGZYSG-UHFFFAOYSA-N 0 0 508.022 3.543 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccco2)cc1 ZINC000036061733 554161714 /nfs/dbraw/zinc/16/17/14/554161714.db2.gz NABNJWSMVBYZLX-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccco2)c1 ZINC000036061743 554162053 /nfs/dbraw/zinc/16/20/53/554162053.db2.gz QCORTSZMVPLMMD-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061800 554162077 /nfs/dbraw/zinc/16/20/77/554162077.db2.gz ZHLXLTYPHJATPE-DEOSSOPVSA-N 0 0 520.033 3.767 50 0 KHAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061801 554162015 /nfs/dbraw/zinc/16/20/15/554162015.db2.gz ZHLXLTYPHJATPE-XMMPIXPASA-N 0 0 520.033 3.767 50 0 KHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000036061838 554162091 /nfs/dbraw/zinc/16/20/91/554162091.db2.gz SQRKNDKEFSGIFF-DNQXCXABSA-N 0 0 503.599 3.810 50 0 KHAARN COc1ccc(OC)c([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000036061839 554162034 /nfs/dbraw/zinc/16/20/34/554162034.db2.gz SQRKNDKEFSGIFF-RPWUZVMVSA-N 0 0 503.599 3.810 50 0 KHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000036061840 554162059 /nfs/dbraw/zinc/16/20/59/554162059.db2.gz SQRKNDKEFSGIFF-BJKOFHAPSA-N 0 0 503.599 3.810 50 0 KHAARN COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1 ZINC000036061841 554162067 /nfs/dbraw/zinc/16/20/67/554162067.db2.gz SQRKNDKEFSGIFF-ZEQRLZLVSA-N 0 0 503.599 3.810 50 0 KHAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062605 554162251 /nfs/dbraw/zinc/16/22/51/554162251.db2.gz NNDGZXKNOBXEKD-IBGZPJMESA-N 0 0 526.062 3.829 50 0 KHAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062609 554162253 /nfs/dbraw/zinc/16/22/53/554162253.db2.gz NNDGZXKNOBXEKD-LJQANCHMSA-N 0 0 526.062 3.829 50 0 KHAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062624 554162297 /nfs/dbraw/zinc/16/22/97/554162297.db2.gz LTXIGLDCZODVQT-QFIPXVFZSA-N 0 0 520.033 3.767 50 0 KHAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036062627 554162299 /nfs/dbraw/zinc/16/22/99/554162299.db2.gz LTXIGLDCZODVQT-JOCHJYFZSA-N 0 0 520.033 3.767 50 0 KHAARN COCCNC(=O)c1ccc(Nc2c(Oc3ccc4c(c3)OCO4)cnn(-c3ccccc3)c2=O)cc1 ZINC000036063759 554162516 /nfs/dbraw/zinc/16/25/16/554162516.db2.gz RLUBQPZOLUDQCR-UHFFFAOYSA-N 0 0 500.511 3.873 50 0 KHAARN O=C(c1ccc(Nc2c(Oc3ccc4c(c3)OCO4)cnn(-c3ccccc3)c2=O)cc1)N1CCOCC1 ZINC000036063762 554162461 /nfs/dbraw/zinc/16/24/61/554162461.db2.gz URWYYEGYMRHJTD-UHFFFAOYSA-N 0 0 512.522 3.970 50 0 KHAARN Cc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)cc1 ZINC000036063962 554162571 /nfs/dbraw/zinc/16/25/71/554162571.db2.gz PLUCIJQARFBFAX-UHFFFAOYSA-N 0 0 501.631 3.771 50 0 KHAARN Cc1cccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)c1 ZINC000036064009 554162595 /nfs/dbraw/zinc/16/25/95/554162595.db2.gz RGEMZXVKXMXUPC-UHFFFAOYSA-N 0 0 501.631 3.771 50 0 KHAARN O=C(NCCN1CCOCC1)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3)c2=O)cc1 ZINC000036064124 554162855 /nfs/dbraw/zinc/16/28/55/554162855.db2.gz YJWUJLSNANWHQX-UHFFFAOYSA-N 0 0 511.582 3.830 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4cccs4)CC3)nn2)cc1 ZINC000036064204 554163300 /nfs/dbraw/zinc/16/33/00/554163300.db2.gz BHPLLDFNBJEUTR-UHFFFAOYSA-N 0 0 517.611 3.798 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036064206 554163304 /nfs/dbraw/zinc/16/33/04/554163304.db2.gz DUYAADJFQHVBQT-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccco4)CC3)nn2)cc1 ZINC000036064210 554163182 /nfs/dbraw/zinc/16/31/82/554163182.db2.gz OLRQKIBZJYNCCW-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036064213 554163201 /nfs/dbraw/zinc/16/32/01/554163201.db2.gz YWHXPRGCGLJGAN-UHFFFAOYSA-N 0 0 501.631 3.876 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C(C)C)CC3)nn2)cc1 ZINC000036064215 554163279 /nfs/dbraw/zinc/16/32/79/554163279.db2.gz QZQPDPNCOXMUSA-UHFFFAOYSA-N 0 0 505.594 3.625 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036064216 554163282 /nfs/dbraw/zinc/16/32/82/554163282.db2.gz QJZGUHYMTMAXDM-UHFFFAOYSA-N 0 0 517.605 3.769 50 0 KHAARN COc1ccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c(OC)c1 ZINC000036064236 554163484 /nfs/dbraw/zinc/16/34/84/554163484.db2.gz SRQOGZBLKRTDKH-UHFFFAOYSA-N 0 0 504.587 3.890 50 0 KHAARN COc1ccc(OC)c(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCN(C)CC3)co2)c1 ZINC000036064248 554163539 /nfs/dbraw/zinc/16/35/39/554163539.db2.gz UGRKBWCMWISPCT-UHFFFAOYSA-N 0 0 517.630 3.806 50 0 KHAARN CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)CC1 ZINC000036065117 554163471 /nfs/dbraw/zinc/16/34/71/554163471.db2.gz ZNUTXTWNQDJXIJ-QFIPXVFZSA-N 0 0 511.692 3.644 50 0 KHAARN CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)n2)CC1 ZINC000036065118 554163578 /nfs/dbraw/zinc/16/35/78/554163578.db2.gz ZNUTXTWNQDJXIJ-JOCHJYFZSA-N 0 0 511.692 3.644 50 0 KHAARN CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)n2)CC1 ZINC000036065182 554163766 /nfs/dbraw/zinc/16/37/66/554163766.db2.gz QLYRYNUGYGIWGZ-QFIPXVFZSA-N 0 0 511.692 3.644 50 0 KHAARN CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NC[C@H]4CCCO4)c3)n2)CC1 ZINC000036065183 554163759 /nfs/dbraw/zinc/16/37/59/554163759.db2.gz QLYRYNUGYGIWGZ-JOCHJYFZSA-N 0 0 511.692 3.644 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccc(F)cc4)CC3)nn2)cc1 ZINC000036065216 554163774 /nfs/dbraw/zinc/16/37/74/554163774.db2.gz KLVWZJQBDWGLHF-UHFFFAOYSA-N 0 0 505.594 3.738 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)CC(C)C)cc1 ZINC000036065219 554163784 /nfs/dbraw/zinc/16/37/84/554163784.db2.gz HHANHEXZUGEBJA-UHFFFAOYSA-N 0 0 517.630 3.608 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036065224 554163746 /nfs/dbraw/zinc/16/37/46/554163746.db2.gz DRDRQMMSPDJOAX-UHFFFAOYSA-N 0 0 505.594 3.738 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036065225 554163788 /nfs/dbraw/zinc/16/37/88/554163788.db2.gz MNFKNUJECNQQGX-UHFFFAOYSA-N 0 0 505.594 3.738 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4C)CC3)nn2)cc1 ZINC000036065226 554163762 /nfs/dbraw/zinc/16/37/62/554163762.db2.gz AXFIFTVOQKDSIP-UHFFFAOYSA-N 0 0 501.631 3.908 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000036065274 554163974 /nfs/dbraw/zinc/16/39/74/554163974.db2.gz SUXFTTDWJCUYFU-UHFFFAOYSA-N 0 0 505.594 3.882 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036065275 554164042 /nfs/dbraw/zinc/16/40/42/554164042.db2.gz BXYJEAUJGWYZCP-UHFFFAOYSA-N 0 0 505.594 3.882 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036065276 554163994 /nfs/dbraw/zinc/16/39/94/554163994.db2.gz OVELCRDXRYNRJD-UHFFFAOYSA-N 0 0 517.630 3.752 50 0 KHAARN COc1cccc(CN(CCc2c[nH]c3ccccc23)Cc2nc(C(=O)N3CCOCC3)co2)c1OC ZINC000036065658 554164422 /nfs/dbraw/zinc/16/44/22/554164422.db2.gz FQKVKTISDJUJSY-UHFFFAOYSA-N 0 0 504.587 3.890 50 0 KHAARN CC(=O)N1CCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3F)n2)CC1 ZINC000036065684 554164818 /nfs/dbraw/zinc/16/48/18/554164818.db2.gz FDKWCUPPHMCMMG-UHFFFAOYSA-N 0 0 521.568 3.983 50 0 KHAARN O=C(NCCN1CCOCC1)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(F)c2)n1 ZINC000036065686 554164807 /nfs/dbraw/zinc/16/48/07/554164807.db2.gz ZEHRSDBFVOAODQ-UHFFFAOYSA-N 0 0 505.594 3.602 50 0 KHAARN CC(=O)N1CCN(C(=O)c2coc(CN(CCc3c[nH]c4ccccc34)Cc3cccc(F)c3)n2)CC1 ZINC000036065701 554164870 /nfs/dbraw/zinc/16/48/70/554164870.db2.gz BDMHKDHSOXCLLG-UHFFFAOYSA-N 0 0 503.578 3.844 50 0 KHAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccccc3Cl)n2)CC1 ZINC000036065766 554164828 /nfs/dbraw/zinc/16/48/28/554164828.db2.gz OBSYNQQAFKFXNE-UHFFFAOYSA-N 0 0 510.978 3.563 50 0 KHAARN O=C(NCCc1ccccn1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)n1 ZINC000036065861 554165018 /nfs/dbraw/zinc/16/50/18/554165018.db2.gz CZCHJZIRMIOCFB-UHFFFAOYSA-N 0 0 514.538 3.702 50 0 KHAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3cc(C)ccc3C)n2)CC1 ZINC000036065900 554164984 /nfs/dbraw/zinc/16/49/84/554164984.db2.gz DVKBYGDJGDVACA-UHFFFAOYSA-N 0 0 504.587 3.527 50 0 KHAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066261 554165313 /nfs/dbraw/zinc/16/53/13/554165313.db2.gz GBYYHBLMMYRZGL-ZKNIRDGJSA-N 0 0 509.647 3.814 50 0 biogenic KHAARN CCCCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066262 554165333 /nfs/dbraw/zinc/16/53/33/554165333.db2.gz GBYYHBLMMYRZGL-JBBRWPJWSA-N 0 0 509.647 3.814 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066305 554165350 /nfs/dbraw/zinc/16/53/50/554165350.db2.gz FJSFWIMNQSQXIR-QWPPCQAFSA-N 0 0 530.065 3.693 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066306 554165294 /nfs/dbraw/zinc/16/52/94/554165294.db2.gz FJSFWIMNQSQXIR-AEQXRQRWSA-N 0 0 530.065 3.693 50 0 biogenic KHAARN CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066307 554165276 /nfs/dbraw/zinc/16/52/76/554165276.db2.gz CBWSFMPFEMKNSX-UETMDFGDSA-N 0 0 500.039 3.924 50 0 biogenic KHAARN CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066308 554165362 /nfs/dbraw/zinc/16/53/62/554165362.db2.gz CBWSFMPFEMKNSX-ZKWJSJOJSA-N 0 0 500.039 3.924 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066317 554165291 /nfs/dbraw/zinc/16/52/91/554165291.db2.gz CITXKELJRBKKFY-QWPPCQAFSA-N 0 0 530.065 3.693 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066318 554165304 /nfs/dbraw/zinc/16/53/04/554165304.db2.gz CITXKELJRBKKFY-AEQXRQRWSA-N 0 0 530.065 3.693 50 0 biogenic KHAARN CC(C)CC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036069258 554166065 /nfs/dbraw/zinc/16/60/65/554166065.db2.gz NUFHJIRDKOQVCD-UHFFFAOYSA-N 0 0 515.614 3.596 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)CC(C)C)cc1 ZINC000036069407 554166441 /nfs/dbraw/zinc/16/64/41/554166441.db2.gz NSHVTGSMMRUQTE-UHFFFAOYSA-N 0 0 501.631 3.908 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)CC(C)C)c1 ZINC000036069427 554166343 /nfs/dbraw/zinc/16/63/43/554166343.db2.gz COFZKZLWEVKRIZ-UHFFFAOYSA-N 0 0 501.631 3.908 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000036069429 554166395 /nfs/dbraw/zinc/16/63/95/554166395.db2.gz ZNOFRCWNIMOFAS-UHFFFAOYSA-N 0 0 515.614 3.628 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036069584 554166408 /nfs/dbraw/zinc/16/64/08/554166408.db2.gz HXHRVRLFMJBSDD-OAQYLSRUSA-N 0 0 515.614 3.770 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036069588 554166416 /nfs/dbraw/zinc/16/64/16/554166416.db2.gz HXHRVRLFMJBSDD-NRFANRHFSA-N 0 0 515.614 3.770 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C(C)C)CC3)nn2)cc1 ZINC000036069695 554166609 /nfs/dbraw/zinc/16/66/09/554166609.db2.gz JTMBOJNZWXXYGG-UHFFFAOYSA-N 0 0 515.614 3.514 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036069698 554166651 /nfs/dbraw/zinc/16/66/51/554166651.db2.gz DLEOBOLDALKTBP-UHFFFAOYSA-N 0 0 527.625 3.658 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069701 554166667 /nfs/dbraw/zinc/16/66/67/554166667.db2.gz LWDAZCYBJXQELL-UHFFFAOYSA-N 0 0 529.641 3.904 50 0 KHAARN Cc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)cc1 ZINC000036069820 554166678 /nfs/dbraw/zinc/16/66/78/554166678.db2.gz YANPUMPIDURRFD-SANMLTNESA-N 0 0 513.642 3.730 50 0 KHAARN Cc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)cc1 ZINC000036069823 554166622 /nfs/dbraw/zinc/16/66/22/554166622.db2.gz YANPUMPIDURRFD-AREMUKBSSA-N 0 0 513.642 3.730 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036069830 554166580 /nfs/dbraw/zinc/16/65/80/554166580.db2.gz GCRKDXXIMSICKE-QHCPKHFHSA-N 0 0 517.605 3.561 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036069833 554166587 /nfs/dbraw/zinc/16/65/87/554166587.db2.gz GCRKDXXIMSICKE-HSZRJFAPSA-N 0 0 517.605 3.561 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036069835 554166647 /nfs/dbraw/zinc/16/66/47/554166647.db2.gz RGVHWUIGIXZQQT-VWLOTQADSA-N 0 0 517.605 3.561 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036069838 554166597 /nfs/dbraw/zinc/16/65/97/554166597.db2.gz RGVHWUIGIXZQQT-RUZDIDTESA-N 0 0 517.605 3.561 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4C)CC3)nn2)cc1 ZINC000036069845 554166577 /nfs/dbraw/zinc/16/65/77/554166577.db2.gz OEMHXDNTUNOMLS-VWLOTQADSA-N 0 0 513.642 3.730 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4C)CC3)nn2)cc1 ZINC000036069848 554166633 /nfs/dbraw/zinc/16/66/33/554166633.db2.gz OEMHXDNTUNOMLS-RUZDIDTESA-N 0 0 513.642 3.730 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036070010 554166950 /nfs/dbraw/zinc/16/69/50/554166950.db2.gz YWWCHEOWPZLCCG-UHFFFAOYSA-N 0 0 522.049 3.933 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000036070181 554166902 /nfs/dbraw/zinc/16/69/02/554166902.db2.gz NCWZEANLDGEMFU-HXUWFJFHSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000036070183 554166894 /nfs/dbraw/zinc/16/68/94/554166894.db2.gz NCWZEANLDGEMFU-FQEVSTJZSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036070186 554166900 /nfs/dbraw/zinc/16/69/00/554166900.db2.gz LBOOLUTYKSCDRU-HXUWFJFHSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036070188 554166910 /nfs/dbraw/zinc/16/69/10/554166910.db2.gz LBOOLUTYKSCDRU-FQEVSTJZSA-N 0 0 505.594 3.881 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc(C)cc4)C(C)C)CC3)nn2)c(OC)c1 ZINC000036070277 554167099 /nfs/dbraw/zinc/16/70/99/554167099.db2.gz WHRBPAZUBCPSKD-UHFFFAOYSA-N 0 0 517.630 3.669 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000036070438 554167392 /nfs/dbraw/zinc/16/73/92/554167392.db2.gz WXMGOEQEQUBARP-UHFFFAOYSA-N 0 0 521.687 3.756 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(C)C)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000036070442 554167326 /nfs/dbraw/zinc/16/73/26/554167326.db2.gz QAQXKELHZSYTCD-UHFFFAOYSA-N 0 0 507.660 3.508 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036070445 554167316 /nfs/dbraw/zinc/16/73/16/554167316.db2.gz RMBICMJANUSQTI-HSZRJFAPSA-N 0 0 521.687 3.898 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036070447 554167419 /nfs/dbraw/zinc/16/74/19/554167419.db2.gz RMBICMJANUSQTI-QHCPKHFHSA-N 0 0 521.687 3.898 50 0 KHAARN CC(=O)N1CCN(C(=O)c2cccc(Nc3c(OC(C)C)cnn(-c4ccc(Cl)cc4)c3=O)c2)CC1 ZINC000036070480 554167424 /nfs/dbraw/zinc/16/74/24/554167424.db2.gz KKFXWWVCMKSZTJ-UHFFFAOYSA-N 0 0 509.994 3.721 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1 ZINC000036071224 554168153 /nfs/dbraw/zinc/16/81/53/554168153.db2.gz ATKCRMZOFYAURU-SANMLTNESA-N 0 0 531.632 3.951 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1 ZINC000036071225 554168434 /nfs/dbraw/zinc/16/84/34/554168434.db2.gz ATKCRMZOFYAURU-AREMUKBSSA-N 0 0 531.632 3.951 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036071236 554168378 /nfs/dbraw/zinc/16/83/78/554168378.db2.gz ORJPHNOBQYPWCR-SANMLTNESA-N 0 0 513.642 3.812 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036071237 554168438 /nfs/dbraw/zinc/16/84/38/554168438.db2.gz ORJPHNOBQYPWCR-AREMUKBSSA-N 0 0 513.642 3.812 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036071242 554168382 /nfs/dbraw/zinc/16/83/82/554168382.db2.gz NNZFLFRHEVCOGM-DEOSSOPVSA-N 0 0 531.632 3.951 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036071243 554168443 /nfs/dbraw/zinc/16/84/43/554168443.db2.gz NNZFLFRHEVCOGM-XMMPIXPASA-N 0 0 531.632 3.951 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036071244 554168356 /nfs/dbraw/zinc/16/83/56/554168356.db2.gz SGWZHOPJOWBFTF-SANMLTNESA-N 0 0 531.632 3.951 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036071245 554168342 /nfs/dbraw/zinc/16/83/42/554168342.db2.gz SGWZHOPJOWBFTF-AREMUKBSSA-N 0 0 531.632 3.951 50 0 KHAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)CC(C)C ZINC000036071277 554168407 /nfs/dbraw/zinc/16/84/07/554168407.db2.gz NYDHUCOJUHTSIO-UHFFFAOYSA-N 0 0 508.450 3.620 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)CC(C)C)cc1 ZINC000036071325 554168619 /nfs/dbraw/zinc/16/86/19/554168619.db2.gz QSIACUWGOPIGBW-UHFFFAOYSA-N 0 0 531.657 3.998 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036071327 554168616 /nfs/dbraw/zinc/16/86/16/554168616.db2.gz OPITVUFFOZKBTA-UHFFFAOYSA-N 0 0 501.631 3.989 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)Cc4ccccc4)CC3)nn2)cc1 ZINC000036071331 554168606 /nfs/dbraw/zinc/16/86/06/554168606.db2.gz TXZBWCZWNHJZHB-UHFFFAOYSA-N 0 0 515.658 3.918 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)c4cccc(OC)c4)CC3)nn2)cc1 ZINC000036071333 554168632 /nfs/dbraw/zinc/16/86/32/554168632.db2.gz ZMQIECFSSMFMCG-UHFFFAOYSA-N 0 0 531.657 3.998 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036071348 554168610 /nfs/dbraw/zinc/16/86/10/554168610.db2.gz ULANSQCBTBIBRR-UHFFFAOYSA-N 0 0 503.603 3.613 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccco4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036071349 554168612 /nfs/dbraw/zinc/16/86/12/554168612.db2.gz HHAVIPPWZRUOFT-UHFFFAOYSA-N 0 0 505.619 3.859 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccc(OC)c4)C(C)C)CC3)nn2)cc1 ZINC000036071368 554168625 /nfs/dbraw/zinc/16/86/25/554168625.db2.gz FYZHOYJVBCWPSZ-UHFFFAOYSA-N 0 0 517.630 3.750 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc(F)cc4)C4CC4)CC3)nn2)cc1 ZINC000036071400 554168877 /nfs/dbraw/zinc/16/88/77/554168877.db2.gz RXNZOENUPSKGNN-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)C2CC2)cc1 ZINC000036071407 554168872 /nfs/dbraw/zinc/16/88/72/554168872.db2.gz LRJMUEPIGLKHPK-UHFFFAOYSA-N 0 0 515.614 3.504 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4F)C4CC4)CC3)nn2)cc1 ZINC000036071411 554168895 /nfs/dbraw/zinc/16/88/95/554168895.db2.gz FEQDEIDJEIAQLC-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccc(F)c4)C4CC4)CC3)nn2)cc1 ZINC000036071412 554168920 /nfs/dbraw/zinc/16/89/20/554168920.db2.gz ZDPPKWXPPYEGAQ-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)CC(C)C)cc1 ZINC000036071425 554168832 /nfs/dbraw/zinc/16/88/32/554168832.db2.gz CPWVFMISVXBNTP-UHFFFAOYSA-N 0 0 531.657 3.998 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4)CC3)nn2)c1 ZINC000036071427 554168810 /nfs/dbraw/zinc/16/88/10/554168810.db2.gz MQSNGOISIUYQOT-UHFFFAOYSA-N 0 0 501.631 3.989 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)Cc4ccccc4)CC3)nn2)c1 ZINC000036071431 554168863 /nfs/dbraw/zinc/16/88/63/554168863.db2.gz QWQAUTPNGZWQIN-UHFFFAOYSA-N 0 0 515.658 3.918 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)c1 ZINC000036071442 554169002 /nfs/dbraw/zinc/16/90/02/554169002.db2.gz DRFBXQACHYMXQA-UHFFFAOYSA-N 0 0 501.631 3.876 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc(F)cc4)C(C)C)CC3)nn2)c1 ZINC000036071445 554169051 /nfs/dbraw/zinc/16/90/51/554169051.db2.gz ILHLBEDUTCJAPQ-UHFFFAOYSA-N 0 0 505.594 3.881 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C(C)C)cc1 ZINC000036071450 554169086 /nfs/dbraw/zinc/16/90/86/554169086.db2.gz HJZVIYMITUPHTF-UHFFFAOYSA-N 0 0 517.630 3.750 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)Cc4ccccc4)C(C)C)CC3)nn2)c1 ZINC000036071457 554169039 /nfs/dbraw/zinc/16/90/39/554169039.db2.gz MXIRUXAKYACROR-UHFFFAOYSA-N 0 0 501.631 3.671 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc(F)cc4)C4CC4)CC3)nn2)c1 ZINC000036071501 554169020 /nfs/dbraw/zinc/16/90/20/554169020.db2.gz QHAFDIZKWNBJGZ-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C2CC2)cc1 ZINC000036071508 554169005 /nfs/dbraw/zinc/16/90/05/554169005.db2.gz SXARLKPOMMFKPU-UHFFFAOYSA-N 0 0 515.614 3.504 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4F)C4CC4)CC3)nn2)c1 ZINC000036071512 554168994 /nfs/dbraw/zinc/16/89/94/554168994.db2.gz MYZDJXLRGZGJSR-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccc(F)c4)C4CC4)CC3)nn2)c1 ZINC000036071513 554169097 /nfs/dbraw/zinc/16/90/97/554169097.db2.gz BXVWWUJCDBVYHE-UHFFFAOYSA-N 0 0 503.578 3.635 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)C2CC2)c1 ZINC000036071518 554169043 /nfs/dbraw/zinc/16/90/43/554169043.db2.gz SNVUFPBDXPCAEI-UHFFFAOYSA-N 0 0 515.614 3.504 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CCc4ccccc4)C(=O)C4CC4)CC3)nn2)c1 ZINC000036071520 554169278 /nfs/dbraw/zinc/16/92/78/554169278.db2.gz OLPNYTHQQJAWMR-UHFFFAOYSA-N 0 0 513.642 3.672 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)c1 ZINC000036071535 554169290 /nfs/dbraw/zinc/16/92/90/554169290.db2.gz LYNDBHAZNSWALB-SANMLTNESA-N 0 0 529.641 3.512 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)c1 ZINC000036071536 554169342 /nfs/dbraw/zinc/16/93/42/554169342.db2.gz LYNDBHAZNSWALB-AREMUKBSSA-N 0 0 529.641 3.512 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccco1 ZINC000036071537 554169282 /nfs/dbraw/zinc/16/92/82/554169282.db2.gz WEIWJUCYSZXEMK-OAQYLSRUSA-N 0 0 505.619 3.972 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccco1 ZINC000036071538 554169305 /nfs/dbraw/zinc/16/93/05/554169305.db2.gz WEIWJUCYSZXEMK-NRFANRHFSA-N 0 0 505.619 3.972 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4ccc(F)cc4)CC3)nn2)c1 ZINC000036071551 554169323 /nfs/dbraw/zinc/16/93/23/554169323.db2.gz VBFPVKPPRMCEQB-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)c1 ZINC000036071558 554169318 /nfs/dbraw/zinc/16/93/18/554169318.db2.gz SLUYIJIFYPMBFW-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN COc1cccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4cccc(F)c4)CC3)nn2)c1 ZINC000036071559 554169250 /nfs/dbraw/zinc/16/92/50/554169250.db2.gz STSQAAOZGUXXKJ-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN 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COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4)C4CC4)CC3)nn2)c(OC)c1 ZINC000036072960 554170847 /nfs/dbraw/zinc/17/08/47/554170847.db2.gz ABHPOYILMQOGHV-UHFFFAOYSA-N 0 0 515.614 3.504 50 0 KHAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)CC(C)C ZINC000036072965 554170829 /nfs/dbraw/zinc/17/08/29/554170829.db2.gz YUBCXXOLPXTSDC-UHFFFAOYSA-N 0 0 511.667 3.874 50 0 KHAARN CC(C)NC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036072992 554171118 /nfs/dbraw/zinc/17/11/18/554171118.db2.gz JQTJHFMMRBZWSB-UHFFFAOYSA-N 0 0 530.629 3.531 50 0 KHAARN CC(C)NC(=O)N(CCc1ccccc1)CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036072994 554171100 /nfs/dbraw/zinc/17/11/00/554171100.db2.gz QMZAIHZCAPUPSP-UHFFFAOYSA-N 0 0 500.647 3.845 50 0 KHAARN CCCNC(=O)N(CCc1ccccc1)CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036072995 554171168 /nfs/dbraw/zinc/17/11/68/554171168.db2.gz QHKITCRFOSLFNU-UHFFFAOYSA-N 0 0 500.647 3.847 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc(F)cc1 ZINC000036072997 554171092 /nfs/dbraw/zinc/17/10/92/554171092.db2.gz BRTNPMUEQVDTOO-UHFFFAOYSA-N 0 0 504.610 3.943 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC(C)C)C(=O)NC(C)(C)C)CC3)nn2)cc1OC ZINC000036073016 554171147 /nfs/dbraw/zinc/17/11/47/554171147.db2.gz IWNQDOXBGBVFGB-UHFFFAOYSA-N 0 0 526.682 3.666 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(Nc3c(Oc4ccccc4OC)cnn(C)c3=O)c2)C1 ZINC000036073211 554171400 /nfs/dbraw/zinc/17/14/00/554171400.db2.gz YATYAGFQSAFCDK-LJQANCHMSA-N 0 0 506.559 3.740 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(Nc3c(Oc4ccccc4OC)cnn(C)c3=O)c2)C1 ZINC000036073212 554171421 /nfs/dbraw/zinc/17/14/21/554171421.db2.gz YATYAGFQSAFCDK-IBGZPJMESA-N 0 0 506.559 3.740 50 0 KHAARN COc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000036073318 554171355 /nfs/dbraw/zinc/17/13/55/554171355.db2.gz SZTFKHZBHRDXJT-NRFANRHFSA-N 0 0 508.619 3.517 50 0 KHAARN 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COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036073813 554172010 /nfs/dbraw/zinc/17/20/10/554172010.db2.gz CMZPBFFNXBWQIX-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4cccc(F)c4)CC3)nn2)cc1 ZINC000036073814 554171944 /nfs/dbraw/zinc/17/19/44/554171944.db2.gz NZVYWBZNJFYWED-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)Cc4ccccc4)CC3)nn2)cc1 ZINC000036073815 554172004 /nfs/dbraw/zinc/17/20/04/554172004.db2.gz ZTURPWHYGYMZII-UHFFFAOYSA-N 0 0 513.642 3.672 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(CC4CC4)C(=O)c4cccc(OC)c4)CC3)nn2)cc1 ZINC000036073818 554171934 /nfs/dbraw/zinc/17/19/34/554171934.db2.gz CXFSMHKTYKNZKI-UHFFFAOYSA-N 0 0 529.641 3.752 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4cccs4)CC3)nn2)c(OC)c1 ZINC000036073844 554171921 /nfs/dbraw/zinc/17/19/21/554171921.db2.gz VNBVCZQQWOEFFC-UHFFFAOYSA-N 0 0 523.659 3.669 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000036073846 554172013 /nfs/dbraw/zinc/17/20/13/554172013.db2.gz MWUHDQCIIKIXIU-UHFFFAOYSA-N 0 0 517.630 3.608 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)[C@@H](C)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000036073859 554172180 /nfs/dbraw/zinc/17/21/80/554172180.db2.gz AVURLOJLCJAQOB-NRFANRHFSA-N 0 0 529.641 3.809 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)C4CC4)[C@H](C)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000036073860 554172169 /nfs/dbraw/zinc/17/21/69/554172169.db2.gz AVURLOJLCJAQOB-OAQYLSRUSA-N 0 0 529.641 3.809 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C(C)C)CC3)nn2)c(OC)c1 ZINC000036073861 554172241 /nfs/dbraw/zinc/17/22/41/554172241.db2.gz WEEZDOPGIIQHCB-UHFFFAOYSA-N 0 0 531.657 3.537 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccccc4C)CC3)nn2)c1 ZINC000036073879 554172193 /nfs/dbraw/zinc/17/21/93/554172193.db2.gz OVBNSINYXHQBGC-UHFFFAOYSA-N 0 0 501.631 3.908 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4cccs4)CC3)nn2)c1 ZINC000036073893 554172227 /nfs/dbraw/zinc/17/22/27/554172227.db2.gz VEJYRNSHOBARLI-UHFFFAOYSA-N 0 0 517.611 3.798 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4)CC3)nn2)c1 ZINC000036073895 554172224 /nfs/dbraw/zinc/17/22/24/554172224.db2.gz BMSCWIMFRIQZOV-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)Cc4ccccc4)CC3)nn2)c1 ZINC000036073896 554172175 /nfs/dbraw/zinc/17/21/75/554172175.db2.gz POEBUBCRFVACLC-UHFFFAOYSA-N 0 0 525.609 3.665 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccco4)CC3)nn2)c1 ZINC000036073898 554172235 /nfs/dbraw/zinc/17/22/35/554172235.db2.gz PNULJSSJGNZMPX-UHFFFAOYSA-N 0 0 511.582 3.736 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)CC(C)C)CC3)nn2)c1 ZINC000036073903 554172211 /nfs/dbraw/zinc/17/22/11/554172211.db2.gz RVNASENPLJIPJD-UHFFFAOYSA-N 0 0 501.631 3.876 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036073922 554172258 /nfs/dbraw/zinc/17/22/58/554172258.db2.gz BXZYZICCVUOMLF-HXUWFJFHSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036073923 554172214 /nfs/dbraw/zinc/17/22/14/554172214.db2.gz BXZYZICCVUOMLF-FQEVSTJZSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000036073939 554172151 /nfs/dbraw/zinc/17/21/51/554172151.db2.gz UBAVQNOGEMPBFV-HXUWFJFHSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000036073940 554172201 /nfs/dbraw/zinc/17/22/01/554172201.db2.gz UBAVQNOGEMPBFV-FQEVSTJZSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036073941 554172184 /nfs/dbraw/zinc/17/21/84/554172184.db2.gz DEMBNLWUMQGTAY-HXUWFJFHSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036073942 554172250 /nfs/dbraw/zinc/17/22/50/554172250.db2.gz DEMBNLWUMQGTAY-FQEVSTJZSA-N 0 0 505.594 3.881 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)Cc1ccccc1 ZINC000036073948 554172197 /nfs/dbraw/zinc/17/21/97/554172197.db2.gz VNAUDFXEOOTAKF-JOCHJYFZSA-N 0 0 501.631 3.671 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)Cc1ccccc1 ZINC000036073949 554172513 /nfs/dbraw/zinc/17/25/13/554172513.db2.gz VNAUDFXEOOTAKF-QFIPXVFZSA-N 0 0 501.631 3.671 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036073954 554172566 /nfs/dbraw/zinc/17/25/66/554172566.db2.gz CRZSFTKLHQLRDY-OAQYLSRUSA-N 0 0 517.630 3.750 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036073955 554172480 /nfs/dbraw/zinc/17/24/80/554172480.db2.gz CRZSFTKLHQLRDY-NRFANRHFSA-N 0 0 517.630 3.750 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccccc4Cl)C4CC4)CC3)nn2)c1 ZINC000036073985 554172547 /nfs/dbraw/zinc/17/25/47/554172547.db2.gz HQNWTSQUAIVJGT-UHFFFAOYSA-N 0 0 506.006 3.759 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc(Cl)cc4)C4CC4)CC3)nn2)c1 ZINC000036073988 554172504 /nfs/dbraw/zinc/17/25/04/554172504.db2.gz LUOKWSBBTICLRF-UHFFFAOYSA-N 0 0 506.006 3.759 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)c4ccco4)CC3)nn2)c1 ZINC000036073995 554172563 /nfs/dbraw/zinc/17/25/63/554172563.db2.gz GBLZDAYSHMVKAI-UHFFFAOYSA-N 0 0 525.609 3.779 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C(C)C)CC3)nn2)c1 ZINC000036073997 554172507 /nfs/dbraw/zinc/17/25/07/554172507.db2.gz NMGOJRPEZLTWNZ-UHFFFAOYSA-N 0 0 501.631 3.528 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CCC4)CC3)nn2)c1 ZINC000036073998 554172487 /nfs/dbraw/zinc/17/24/87/554172487.db2.gz AGQJPTRZWRKJQS-UHFFFAOYSA-N 0 0 513.642 3.672 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)CC(C)C)CC3)nn2)c1 ZINC000036073999 554172569 /nfs/dbraw/zinc/17/25/69/554172569.db2.gz UAJWUWAPGCMFJH-UHFFFAOYSA-N 0 0 515.658 3.918 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C(C)C)CC3)nn2)c1 ZINC000036074018 554172560 /nfs/dbraw/zinc/17/25/60/554172560.db2.gz IIUPJLLSTBPCMK-UHFFFAOYSA-N 0 0 505.594 3.625 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CCC4)CC3)nn2)c1 ZINC000036074019 554172538 /nfs/dbraw/zinc/17/25/38/554172538.db2.gz QGVMWEMUFXZPTC-UHFFFAOYSA-N 0 0 517.605 3.769 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036074050 554172678 /nfs/dbraw/zinc/17/26/78/554172678.db2.gz LATIRYSBOFVDHM-JOCHJYFZSA-N 0 0 531.657 3.998 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036074051 554172724 /nfs/dbraw/zinc/17/27/24/554172724.db2.gz LATIRYSBOFVDHM-QFIPXVFZSA-N 0 0 531.657 3.998 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1 ZINC000036074052 554172694 /nfs/dbraw/zinc/17/26/94/554172694.db2.gz OFNMWMWPAXRMOH-JOCHJYFZSA-N 0 0 501.631 3.989 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1 ZINC000036074053 554172714 /nfs/dbraw/zinc/17/27/14/554172714.db2.gz OFNMWMWPAXRMOH-QFIPXVFZSA-N 0 0 501.631 3.989 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036074064 554172718 /nfs/dbraw/zinc/17/27/18/554172718.db2.gz LHTAARMLVVHDAV-JOCHJYFZSA-N 0 0 531.657 3.998 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036074065 554172676 /nfs/dbraw/zinc/17/26/76/554172676.db2.gz LHTAARMLVVHDAV-QFIPXVFZSA-N 0 0 531.657 3.998 50 0 KHAARN COc1ccc(C(=O)N(CCC(C)C)CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)cc1 ZINC000036074082 554172665 /nfs/dbraw/zinc/17/26/65/554172665.db2.gz DJBCFRYXPGYKKO-UHFFFAOYSA-N 0 0 531.657 3.998 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)Cc4ccccc4)CC3)nn2)c1 ZINC000036074087 554172690 /nfs/dbraw/zinc/17/26/90/554172690.db2.gz LLPXFADQNFEZNX-UHFFFAOYSA-N 0 0 515.658 3.918 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036074090 554172987 /nfs/dbraw/zinc/17/29/87/554172987.db2.gz QWROBNYYWSPWLQ-UHFFFAOYSA-N 0 0 505.594 3.882 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036074093 554173025 /nfs/dbraw/zinc/17/30/25/554173025.db2.gz MQLQCZXQJSNLSU-UHFFFAOYSA-N 0 0 517.630 3.752 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000036074099 554172940 /nfs/dbraw/zinc/17/29/40/554172940.db2.gz RTCWKBYYBYHKJU-UHFFFAOYSA-N 0 0 505.594 3.882 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036074100 554173041 /nfs/dbraw/zinc/17/30/41/554173041.db2.gz OHVFNSCTNOVGRD-UHFFFAOYSA-N 0 0 505.594 3.882 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)Cc1ccccc1 ZINC000036074102 554172934 /nfs/dbraw/zinc/17/29/34/554172934.db2.gz VJVGCSVHBOYTNJ-UHFFFAOYSA-N 0 0 501.631 3.672 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036074105 554173069 /nfs/dbraw/zinc/17/30/69/554173069.db2.gz KPBQCYRMCXNUJZ-UHFFFAOYSA-N 0 0 517.630 3.752 50 0 KHAARN CCNC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)Cc1ccc(F)cc1 ZINC000036074117 554173015 /nfs/dbraw/zinc/17/30/15/554173015.db2.gz NNIOZZJAUUELPU-UHFFFAOYSA-N 0 0 520.609 3.562 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)NC(C)C)CC3)nn2)cc1 ZINC000036074118 554173032 /nfs/dbraw/zinc/17/30/32/554173032.db2.gz QOKGIMBXFSVFTM-UHFFFAOYSA-N 0 0 534.636 3.950 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)NC(C)(C)C)CC3)nn2)c1 ZINC000036074158 554172977 /nfs/dbraw/zinc/17/29/77/554172977.db2.gz IJKLDBTXKSRZHK-UHFFFAOYSA-N 0 0 516.646 3.811 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(C(=O)Nc4ccc(C)cc4)C4CC4)CC3)nn2)c1 ZINC000036074178 554173324 /nfs/dbraw/zinc/17/33/24/554173324.db2.gz GPEJFKBDXJDRPC-UHFFFAOYSA-N 0 0 500.603 3.806 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)NC(C)(C)C)CC3)nn2)c1 ZINC000036074183 554173314 /nfs/dbraw/zinc/17/33/14/554173314.db2.gz IFHIBUJUENLZFO-UHFFFAOYSA-N 0 0 534.636 3.950 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)NC(C)C)CC3)nn2)c1 ZINC000036074185 554173327 /nfs/dbraw/zinc/17/33/27/554173327.db2.gz IJIMIRBGXVMNSB-UHFFFAOYSA-N 0 0 520.609 3.560 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)Cc1ccc(F)cc1 ZINC000036074186 554173333 /nfs/dbraw/zinc/17/33/33/554173333.db2.gz TZAHKPJHPYTVRH-UHFFFAOYSA-N 0 0 520.609 3.562 50 0 KHAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=S)NC(C)C)CC3)nn2)c1 ZINC000036074201 554173292 /nfs/dbraw/zinc/17/32/92/554173292.db2.gz VLGSZKJBXNKTSU-UHFFFAOYSA-N 0 0 518.687 3.586 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036074216 554173248 /nfs/dbraw/zinc/17/32/48/554173248.db2.gz TYQLWNTUVWKBJE-UHFFFAOYSA-N 0 0 526.012 3.764 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C2CC2)c1 ZINC000036074304 554173529 /nfs/dbraw/zinc/17/35/29/554173529.db2.gz XMOQNKBVJVRVOA-UHFFFAOYSA-N 0 0 506.006 3.759 50 0 KHAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036074317 554173477 /nfs/dbraw/zinc/17/34/77/554173477.db2.gz XDVQUUBKJSDLJA-UHFFFAOYSA-N 0 0 522.005 3.727 50 0 KHAARN O=C(Cc1ccccc1)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)CC1CC1 ZINC000036074339 554173836 /nfs/dbraw/zinc/17/38/36/554173836.db2.gz OTYPKXHJXSDEEZ-UHFFFAOYSA-N 0 0 504.034 3.927 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccccc1 ZINC000036074381 554173824 /nfs/dbraw/zinc/17/38/24/554173824.db2.gz HEBNHUKSQIHQST-UHFFFAOYSA-N 0 0 508.022 3.625 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccccc1F ZINC000036074384 554173841 /nfs/dbraw/zinc/17/38/41/554173841.db2.gz GXKHTAYYYGQNBZ-UHFFFAOYSA-N 0 0 526.012 3.764 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036074385 554173803 /nfs/dbraw/zinc/17/38/03/554173803.db2.gz XEGABITWTJELAW-UHFFFAOYSA-N 0 0 526.012 3.764 50 0 KHAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036074448 554174191 /nfs/dbraw/zinc/17/41/91/554174191.db2.gz CJFNRJQRXAALEN-UHFFFAOYSA-N 0 0 522.005 3.727 50 0 KHAARN CC(=O)N(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036074468 554174121 /nfs/dbraw/zinc/17/41/21/554174121.db2.gz GIEYNDAPCDRKET-UHFFFAOYSA-N 0 0 522.005 3.613 50 0 KHAARN CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(C(=O)c2ccco2)CC1 ZINC000036075089 554174212 /nfs/dbraw/zinc/17/42/12/554174212.db2.gz HPXRZOCHZLHFEP-UHFFFAOYSA-N 0 0 507.587 3.692 50 0 KHAARN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C(C)C)cc1 ZINC000036082538 554174678 /nfs/dbraw/zinc/17/46/78/554174678.db2.gz SHHAHLHPKCLDSD-UHFFFAOYSA-N 0 0 525.650 3.729 50 0 KHAARN CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036082541 554174727 /nfs/dbraw/zinc/17/47/27/554174727.db2.gz VMYINDRDVRGTTH-UHFFFAOYSA-N 0 0 528.078 3.855 50 0 KHAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2ccccc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036082915 554174922 /nfs/dbraw/zinc/17/49/22/554174922.db2.gz XCTYRMMDEIRHNX-UHFFFAOYSA-N 0 0 502.537 3.958 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC2CC2)cc1 ZINC000036083250 554175196 /nfs/dbraw/zinc/17/51/96/554175196.db2.gz LFSULHDQALMLEQ-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN O=C(Cc1ccccc1)N(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)CC1CC1 ZINC000036083258 554175141 /nfs/dbraw/zinc/17/51/41/554175141.db2.gz RNMTWAMHFQSUJR-UHFFFAOYSA-N 0 0 501.606 3.803 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CC2CC2)c1 ZINC000036083261 554175212 /nfs/dbraw/zinc/17/52/12/554175212.db2.gz GYRSBPINJKXZNT-UHFFFAOYSA-N 0 0 517.605 3.882 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1 ZINC000036083296 554175111 /nfs/dbraw/zinc/17/51/11/554175111.db2.gz HALBHJVRTQXLAB-HXUWFJFHSA-N 0 0 521.618 3.591 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1 ZINC000036083297 554175177 /nfs/dbraw/zinc/17/51/77/554175177.db2.gz HALBHJVRTQXLAB-FQEVSTJZSA-N 0 0 521.618 3.591 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1 ZINC000036083302 554175124 /nfs/dbraw/zinc/17/51/24/554175124.db2.gz ZJDJLTYLKPLDFX-JOCHJYFZSA-N 0 0 531.657 3.998 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1 ZINC000036083303 554175126 /nfs/dbraw/zinc/17/51/26/554175126.db2.gz ZJDJLTYLKPLDFX-QFIPXVFZSA-N 0 0 531.657 3.998 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccc(C)cc4)CC3)nn2)c(OC)c1 ZINC000036083309 554175400 /nfs/dbraw/zinc/17/54/00/554175400.db2.gz BTWKOAKHCPREEK-UHFFFAOYSA-N 0 0 529.641 3.670 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4C)CC3)nn2)c(OC)c1 ZINC000036083311 554175486 /nfs/dbraw/zinc/17/54/86/554175486.db2.gz RAUJQAGGULAGRS-UHFFFAOYSA-N 0 0 529.641 3.670 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)c4ccco4)CC3)nn2)c(OC)c1 ZINC000036083312 554175502 /nfs/dbraw/zinc/17/55/02/554175502.db2.gz LVKSMWXUHHSXJT-UHFFFAOYSA-N 0 0 521.618 3.591 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)CC(C)C)CC3)nn2)c(OC)c1 ZINC000036083314 554175444 /nfs/dbraw/zinc/17/54/44/554175444.db2.gz JAACYLBUDWRIAQ-UHFFFAOYSA-N 0 0 511.667 3.730 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000036083315 554175465 /nfs/dbraw/zinc/17/54/65/554175465.db2.gz HJONSDFHBXZVJA-UHFFFAOYSA-N 0 0 531.657 3.998 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCC(C)C)C(=O)NC(C)(C)C)CC3)nn2)c(OC)c1 ZINC000036083341 554175391 /nfs/dbraw/zinc/17/53/91/554175391.db2.gz PTSRXCYBAIJHCO-UHFFFAOYSA-N 0 0 526.682 3.666 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Nc3c(OCC)cnn(Cc4ccccc4)c3=O)cc2)C1 ZINC000036083369 554175435 /nfs/dbraw/zinc/17/54/35/554175435.db2.gz AIJITOBXWWGDGR-QFIPXVFZSA-N 0 0 504.587 3.849 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Nc3c(OCC)cnn(Cc4ccccc4)c3=O)cc2)C1 ZINC000036083371 554175429 /nfs/dbraw/zinc/17/54/29/554175429.db2.gz AIJITOBXWWGDGR-JOCHJYFZSA-N 0 0 504.587 3.849 50 0 KHAARN O=C(NCCN1CCOCC1)c1cccc(Nc2c(Oc3ccccc3)cnn(Cc3ccccc3)c2=O)c1 ZINC000036083374 554175403 /nfs/dbraw/zinc/17/54/03/554175403.db2.gz VRNIJIMPRANUAP-UHFFFAOYSA-N 0 0 525.609 3.890 50 0 KHAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085196 554175976 /nfs/dbraw/zinc/17/59/76/554175976.db2.gz LUMSGMIWOCGVJD-UHFFFAOYSA-N 0 0 502.399 3.992 50 0 KHAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036085199 554175972 /nfs/dbraw/zinc/17/59/72/554175972.db2.gz WEJPFGBYRFJXBZ-UHFFFAOYSA-N 0 0 516.426 3.670 50 0 KHAARN O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036085424 554175932 /nfs/dbraw/zinc/17/59/32/554175932.db2.gz LHUXKJFTIFMSDJ-UHFFFAOYSA-N 0 0 502.399 3.992 50 0 KHAARN O=C(Nc1cccc(F)c1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036085429 554175952 /nfs/dbraw/zinc/17/59/52/554175952.db2.gz YRCJYYLESNOHKC-UHFFFAOYSA-N 0 0 502.399 3.992 50 0 KHAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036085431 554175926 /nfs/dbraw/zinc/17/59/26/554175926.db2.gz XYCIHDZFADHJTK-UHFFFAOYSA-N 0 0 516.426 3.670 50 0 KHAARN Cc1cccc(-n2nc(C(=O)NCc3ccc(F)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036086897 554176788 /nfs/dbraw/zinc/17/67/88/554176788.db2.gz YCKSJRPIDPFFFP-UHFFFAOYSA-N 0 0 512.463 3.839 50 0 KHAARN Cc1cccc(-n2nc(C(=O)NCc3ccc(F)cc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000036087064 554176705 /nfs/dbraw/zinc/17/67/05/554176705.db2.gz YEBQFQFDQHHELO-UHFFFAOYSA-N 0 0 512.463 3.839 50 0 KHAARN O=C(NCc1ccc(F)cc1)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036087588 554176697 /nfs/dbraw/zinc/17/66/97/554176697.db2.gz APFZLEREQDGWLH-UHFFFAOYSA-N 0 0 516.426 3.670 50 0 KHAARN CN(Cc1ccccc1)C(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036087607 554176793 /nfs/dbraw/zinc/17/67/93/554176793.db2.gz VPCMYXBVROTYHV-UHFFFAOYSA-N 0 0 512.463 3.873 50 0 KHAARN CC(C)CNC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036087615 554176891 /nfs/dbraw/zinc/17/68/91/554176891.db2.gz TWJGKSPQQQZWFR-UHFFFAOYSA-N 0 0 514.426 3.866 50 0 KHAARN O=C(NCC1CC1)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036087622 554176900 /nfs/dbraw/zinc/17/69/00/554176900.db2.gz DKOGBHKMVGEALW-UHFFFAOYSA-N 0 0 512.410 3.620 50 0 KHAARN CCN(CC)C(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000036087623 554176911 /nfs/dbraw/zinc/17/69/11/554176911.db2.gz ABKVOLSDDQUMDM-UHFFFAOYSA-N 0 0 514.426 3.962 50 0 KHAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)nn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000036087634 554176869 /nfs/dbraw/zinc/17/68/69/554176869.db2.gz UWYATYHXJVLHEO-UHFFFAOYSA-N 0 0 512.463 3.839 50 0 KHAARN Cc1ccc(Cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)nn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000036087874 554176888 /nfs/dbraw/zinc/17/68/88/554176888.db2.gz MFFNJVOFRXTZMN-UHFFFAOYSA-N 0 0 512.566 3.533 50 0 KHAARN Cc1cccc(Cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)nn(-c3ccc(C(C)C)cc3)c2=O)c1 ZINC000036087949 554177047 /nfs/dbraw/zinc/17/70/47/554177047.db2.gz KMWPCRZVEHKJLZ-UHFFFAOYSA-N 0 0 512.566 3.533 50 0 KHAARN Cc1ccccc1Cn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)nn(-c2ccc(C(C)C)cc2)c1=O ZINC000036088027 554177034 /nfs/dbraw/zinc/17/70/34/554177034.db2.gz CKLFPMOLZAYPQD-UHFFFAOYSA-N 0 0 512.566 3.533 50 0 KHAARN O=C(Nc1ccc(F)cc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036088121 554177070 /nfs/dbraw/zinc/17/70/70/554177070.db2.gz NJSWZSLTNYUOFD-UHFFFAOYSA-N 0 0 502.399 3.992 50 0 KHAARN O=C(NCc1ccc(F)cc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036088139 554177098 /nfs/dbraw/zinc/17/70/98/554177098.db2.gz BPHXGXFFSCMAQT-UHFFFAOYSA-N 0 0 516.426 3.670 50 0 KHAARN CN(Cc1ccccc1)C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(Cc2ccc(F)cc2)c1=O ZINC000036088156 554177107 /nfs/dbraw/zinc/17/71/07/554177107.db2.gz QTSNFYFDCITYDR-UHFFFAOYSA-N 0 0 512.463 3.873 50 0 KHAARN COc1cccc(Cn2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089306 554177404 /nfs/dbraw/zinc/17/74/04/554177404.db2.gz KJXVDIFVSGRDFQ-SFHVURJKSA-N 0 0 504.974 3.904 50 0 KHAARN COc1cccc(Cn2c(=O)c(C(=O)N[C@H](C)c3ccccc3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089308 554177371 /nfs/dbraw/zinc/17/73/71/554177371.db2.gz KJXVDIFVSGRDFQ-GOSISDBHSA-N 0 0 504.974 3.904 50 0 KHAARN COc1cccc(Cn2c(=O)c(C(=O)N(C)Cc3ccccc3)nn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000036089340 554177349 /nfs/dbraw/zinc/17/73/49/554177349.db2.gz FBTIFSXFDQDGLD-UHFFFAOYSA-N 0 0 504.974 3.685 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000036089394 554177656 /nfs/dbraw/zinc/17/76/56/554177656.db2.gz HVAQQRYVFFOYCS-LJQANCHMSA-N 0 0 512.632 3.541 50 0 KHAARN CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000036091236 554177573 /nfs/dbraw/zinc/17/75/73/554177573.db2.gz BLIVAJSEFMXRKZ-UHFFFAOYSA-N 0 0 521.749 3.566 50 0 KHAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)COC ZINC000036094118 554177940 /nfs/dbraw/zinc/17/79/40/554177940.db2.gz ZLUMEPJCCSTQMQ-HSZRJFAPSA-N 0 0 515.658 3.980 50 0 KHAARN CC[C@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)C(=O)COC ZINC000036094119 554177998 /nfs/dbraw/zinc/17/79/98/554177998.db2.gz ZLUMEPJCCSTQMQ-QHCPKHFHSA-N 0 0 515.658 3.980 50 0 KHAARN COCC(=O)N(CCC(C)C)CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC000036094133 554178252 /nfs/dbraw/zinc/17/82/52/554178252.db2.gz GPVPYASRBAZFOT-UHFFFAOYSA-N 0 0 515.658 3.980 50 0 KHAARN O=C(c1cccc(F)c1)N(CCN1CCOCC1)Cc1cc(Cl)ccc1OCc1nc(CO)cs1 ZINC000036094405 554178205 /nfs/dbraw/zinc/17/82/05/554178205.db2.gz FQJAVVQGENZFQB-UHFFFAOYSA-N 0 0 520.026 3.982 50 0 KHAARN COc1cccc(OC)c1OCc1nc(CN(CCN2CCOCC2)C(=O)c2ccccc2F)cs1 ZINC000036114894 554178721 /nfs/dbraw/zinc/17/87/21/554178721.db2.gz YNJCWTZILSYTSY-UHFFFAOYSA-N 0 0 515.607 3.853 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2csc(COc3cc(C)cc(C)c3)n2)cc1 ZINC000036115284 554178807 /nfs/dbraw/zinc/17/88/07/554178807.db2.gz HKHVQMXOZWKTCV-UHFFFAOYSA-N 0 0 531.700 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3)n2)cc1 ZINC000036115320 554178734 /nfs/dbraw/zinc/17/87/34/554178734.db2.gz ANKSRLHIDQKTJO-UHFFFAOYSA-N 0 0 517.673 3.562 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2csc(COc3ccc(C)c(C)c3)n2)cc1 ZINC000036115343 554178717 /nfs/dbraw/zinc/17/87/17/554178717.db2.gz KELGNJQLVHWBSH-UHFFFAOYSA-N 0 0 531.700 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3C)n2)cc1 ZINC000036115352 554178803 /nfs/dbraw/zinc/17/88/03/554178803.db2.gz USXVVPNWIZOHOU-UHFFFAOYSA-N 0 0 531.700 3.871 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2csc(COc3ccccc3C)n2)cc1 ZINC000036115384 554178685 /nfs/dbraw/zinc/17/86/85/554178685.db2.gz UVPGUTBDYOLMCU-UHFFFAOYSA-N 0 0 517.673 3.562 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000036117197 554184350 /nfs/dbraw/zinc/18/43/50/554184350.db2.gz YXQLLHRFQOHRPI-VWLOTQADSA-N 0 0 508.640 3.979 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000036117198 554184312 /nfs/dbraw/zinc/18/43/12/554184312.db2.gz YXQLLHRFQOHRPI-RUZDIDTESA-N 0 0 508.640 3.979 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)Cc1ccccc1 ZINC000036117635 554185579 /nfs/dbraw/zinc/18/55/79/554185579.db2.gz 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COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121367 554191644 /nfs/dbraw/zinc/19/16/44/554191644.db2.gz HWAOZUDLBZDPJP-QFIPXVFZSA-N 0 0 526.586 3.910 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000036121368 554191613 /nfs/dbraw/zinc/19/16/13/554191613.db2.gz HWAOZUDLBZDPJP-JOCHJYFZSA-N 0 0 526.586 3.910 50 0 KHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)c1 ZINC000036122380 554193837 /nfs/dbraw/zinc/19/38/37/554193837.db2.gz VUEGKSMHFPMLBQ-GMAHTHKFSA-N 0 0 501.649 3.861 50 0 KHAARN COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)c1 ZINC000036122381 554193784 /nfs/dbraw/zinc/19/37/84/554193784.db2.gz VUEGKSMHFPMLBQ-GGAORHGYSA-N 0 0 501.649 3.861 50 0 KHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)c1 ZINC000036122382 554193780 /nfs/dbraw/zinc/19/37/80/554193780.db2.gz VUEGKSMHFPMLBQ-JTHBVZDNSA-N 0 0 501.649 3.861 50 0 KHAARN COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H]2CCCO2)C(=O)NC(C)C)c1 ZINC000036122383 554193879 /nfs/dbraw/zinc/19/38/79/554193879.db2.gz VUEGKSMHFPMLBQ-FYYLOGMGSA-N 0 0 501.649 3.861 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000036122384 554193899 /nfs/dbraw/zinc/19/38/99/554193899.db2.gz XVQBLLFHXXVVFR-GMAHTHKFSA-N 0 0 501.649 3.862 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000036122385 554193827 /nfs/dbraw/zinc/19/38/27/554193827.db2.gz XVQBLLFHXXVVFR-GGAORHGYSA-N 0 0 501.649 3.862 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000036122386 554193865 /nfs/dbraw/zinc/19/38/65/554193865.db2.gz XVQBLLFHXXVVFR-JTHBVZDNSA-N 0 0 501.649 3.862 50 0 KHAARN CCCNC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000036122387 554193894 /nfs/dbraw/zinc/19/38/94/554193894.db2.gz XVQBLLFHXXVVFR-FYYLOGMGSA-N 0 0 501.649 3.862 50 0 KHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)NC(C)C ZINC000036122484 554194080 /nfs/dbraw/zinc/19/40/80/554194080.db2.gz MDWRDSWSBKASPT-FPOVZHCZSA-N 0 0 501.649 3.861 50 0 KHAARN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)NC(C)C ZINC000036122485 554194083 /nfs/dbraw/zinc/19/40/83/554194083.db2.gz MDWRDSWSBKASPT-CTNGQTDRSA-N 0 0 501.649 3.861 50 0 KHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@@H]1CCCO1)C(=O)NC(C)C ZINC000036122486 554194033 /nfs/dbraw/zinc/19/40/33/554194033.db2.gz MDWRDSWSBKASPT-PZJWPPBQSA-N 0 0 501.649 3.861 50 0 KHAARN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)NC(C)C ZINC000036122487 554194076 /nfs/dbraw/zinc/19/40/76/554194076.db2.gz MDWRDSWSBKASPT-TZIWHRDSSA-N 0 0 501.649 3.861 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036123483 554195377 /nfs/dbraw/zinc/19/53/77/554195377.db2.gz AYUHJQOMXCCPEG-QHCPKHFHSA-N 0 0 532.682 3.534 50 0 KHAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036123485 554195354 /nfs/dbraw/zinc/19/53/54/554195354.db2.gz AYUHJQOMXCCPEG-HSZRJFAPSA-N 0 0 532.682 3.534 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124155 554195835 /nfs/dbraw/zinc/19/58/35/554195835.db2.gz SMSHFUPHSUJLEM-DEOSSOPVSA-N 0 0 514.669 3.899 50 0 KHAARN COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000036124157 554195848 /nfs/dbraw/zinc/19/58/48/554195848.db2.gz SMSHFUPHSUJLEM-XMMPIXPASA-N 0 0 514.669 3.899 50 0 KHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036148212 554198197 /nfs/dbraw/zinc/19/81/97/554198197.db2.gz UFEPOVDXVHRFJO-JOCHJYFZSA-N 0 0 510.031 3.547 50 0 KHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036148214 554198133 /nfs/dbraw/zinc/19/81/33/554198133.db2.gz UFEPOVDXVHRFJO-QFIPXVFZSA-N 0 0 510.031 3.547 50 0 KHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036157536 554198678 /nfs/dbraw/zinc/19/86/78/554198678.db2.gz QKSKEYZYRBUQLF-JOCHJYFZSA-N 0 0 500.437 3.968 50 0 KHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036157541 554198843 /nfs/dbraw/zinc/19/88/43/554198843.db2.gz QKSKEYZYRBUQLF-QFIPXVFZSA-N 0 0 500.437 3.968 50 0 KHAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036157559 554198689 /nfs/dbraw/zinc/19/86/89/554198689.db2.gz UIZJMXRFNRNWJE-JOCHJYFZSA-N 0 0 505.537 3.509 50 0 KHAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036157562 554198693 /nfs/dbraw/zinc/19/86/93/554198693.db2.gz UIZJMXRFNRNWJE-QFIPXVFZSA-N 0 0 505.537 3.509 50 0 KHAARN CC(C)NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036158326 554199104 /nfs/dbraw/zinc/19/91/04/554199104.db2.gz IWSZHHVVCANRDE-OAQYLSRUSA-N 0 0 504.400 3.764 50 0 KHAARN CC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036158329 554199066 /nfs/dbraw/zinc/19/90/66/554199066.db2.gz IWSZHHVVCANRDE-NRFANRHFSA-N 0 0 504.400 3.764 50 0 KHAARN C[N@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)Cc1ccccc1 ZINC000036186924 554200328 /nfs/dbraw/zinc/20/03/28/554200328.db2.gz LKPQQFJXFRDOQK-UHFFFAOYSA-N 0 0 516.623 3.714 50 0 KHAARN O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000036186927 554200273 /nfs/dbraw/zinc/20/02/73/554200273.db2.gz UYEQRVQOSNKORX-UHFFFAOYSA-N 0 0 506.628 3.553 50 0 KHAARN O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000036188958 554200700 /nfs/dbraw/zinc/20/07/00/554200700.db2.gz CFRVOTPAGNHEOM-UHFFFAOYSA-N 0 0 519.396 3.746 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)CC3)CC2)cc1 ZINC000036201519 554200707 /nfs/dbraw/zinc/20/07/07/554200707.db2.gz WBRMYSBKNXDPEE-STWLZBDKSA-N 0 0 503.709 3.575 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)CC2)cc1 ZINC000036201526 554200604 /nfs/dbraw/zinc/20/06/04/554200604.db2.gz WBRMYSBKNXDPEE-TYBLODHISA-N 0 0 503.709 3.575 50 0 KHAARN COCCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)Cc1ccccc1 ZINC000036205911 554201549 /nfs/dbraw/zinc/20/15/49/554201549.db2.gz FNJIQCWEXNTZEE-HXUWFJFHSA-N 0 0 509.628 3.721 50 0 KHAARN COCCN(Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)Cc1ccccc1 ZINC000036205915 554201655 /nfs/dbraw/zinc/20/16/55/554201655.db2.gz FNJIQCWEXNTZEE-FQEVSTJZSA-N 0 0 509.628 3.721 50 0 KHAARN CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206635 554201964 /nfs/dbraw/zinc/20/19/64/554201964.db2.gz FFDYKNPGRTWSTE-IBGZPJMESA-N 0 0 511.600 3.643 50 0 KHAARN CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206636 554202002 /nfs/dbraw/zinc/20/20/02/554202002.db2.gz FFDYKNPGRTWSTE-LJQANCHMSA-N 0 0 511.600 3.643 50 0 KHAARN Cc1c(C(=O)OC(C)C)sc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206830 554202010 /nfs/dbraw/zinc/20/20/10/554202010.db2.gz OAFLNLYNCTVVAH-FQEVSTJZSA-N 0 0 501.649 3.894 50 0 KHAARN Cc1c(C(=O)OC(C)C)sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206831 554202073 /nfs/dbraw/zinc/20/20/73/554202073.db2.gz OAFLNLYNCTVVAH-HXUWFJFHSA-N 0 0 501.649 3.894 50 0 KHAARN COC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206928 554201910 /nfs/dbraw/zinc/20/19/10/554201910.db2.gz XMQDXSFMALGACY-NRFANRHFSA-N 0 0 507.612 3.660 50 0 KHAARN COC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COCc3ccccc3)nc(=O)c2c1C ZINC000036206929 554202270 /nfs/dbraw/zinc/20/22/70/554202270.db2.gz XMQDXSFMALGACY-OAQYLSRUSA-N 0 0 507.612 3.660 50 0 KHAARN CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207196 554201974 /nfs/dbraw/zinc/20/19/74/554201974.db2.gz HQSIOPBIISBTLF-SFHVURJKSA-N 0 0 511.600 3.813 50 0 KHAARN CCOC(=O)c1sc2nc(CN(Cc3ccco3)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c2c1C ZINC000036207197 554202302 /nfs/dbraw/zinc/20/23/02/554202302.db2.gz HQSIOPBIISBTLF-GOSISDBHSA-N 0 0 511.600 3.813 50 0 KHAARN CCOC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207204 554202057 /nfs/dbraw/zinc/20/20/57/554202057.db2.gz MCLNGWVBDOZNAK-FQEVSTJZSA-N 0 0 507.612 3.912 50 0 KHAARN CCOC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c2c1C ZINC000036207205 554202289 /nfs/dbraw/zinc/20/22/89/554202289.db2.gz MCLNGWVBDOZNAK-HXUWFJFHSA-N 0 0 507.612 3.912 50 0 KHAARN CCc1c(C(=O)OC)sc2nc(CN(Cc3ccco3)C[C@H](O)COc3ccccc3C)[nH]c(=O)c21 ZINC000036207300 554202778 /nfs/dbraw/zinc/20/27/78/554202778.db2.gz HWPRRWYDRNJWHT-KRWDZBQOSA-N 0 0 511.600 3.677 50 0 KHAARN CCc1c(C(=O)OC)sc2nc(CN(Cc3ccco3)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c21 ZINC000036207301 554202517 /nfs/dbraw/zinc/20/25/17/554202517.db2.gz HWPRRWYDRNJWHT-QGZVFWFLSA-N 0 0 511.600 3.677 50 0 KHAARN CCc1c(C(=O)OC)sc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207304 554202659 /nfs/dbraw/zinc/20/26/59/554202659.db2.gz BGWFZSXNQGIKJY-IBGZPJMESA-N 0 0 507.612 3.776 50 0 KHAARN CCc1c(C(=O)OC)sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207305 554202524 /nfs/dbraw/zinc/20/25/24/554202524.db2.gz BGWFZSXNQGIKJY-LJQANCHMSA-N 0 0 507.612 3.776 50 0 KHAARN COC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207527 554202735 /nfs/dbraw/zinc/20/27/35/554202735.db2.gz RAPCZEAFYNCFEV-HXUWFJFHSA-N 0 0 507.612 3.830 50 0 KHAARN COC(=O)c1sc2[nH]c(CN(Cc3ccccc3)C[C@H](O)COc3ccccc3C)nc(=O)c2c1C ZINC000036207528 554202596 /nfs/dbraw/zinc/20/25/96/554202596.db2.gz RAPCZEAFYNCFEV-FQEVSTJZSA-N 0 0 507.612 3.830 50 0 KHAARN COCCN(Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@H](O)COCc1ccco1 ZINC000036207763 554202587 /nfs/dbraw/zinc/20/25/87/554202587.db2.gz DRPVGUMUIKXQFS-SFHVURJKSA-N 0 0 504.008 3.924 50 0 KHAARN COCCN(Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207764 554202401 /nfs/dbraw/zinc/20/24/01/554202401.db2.gz DRPVGUMUIKXQFS-GOSISDBHSA-N 0 0 504.008 3.924 50 0 KHAARN CCN(CC)c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036208105 554203050 /nfs/dbraw/zinc/20/30/50/554203050.db2.gz HBBVGGMCGICKAF-UHFFFAOYSA-N 0 0 506.603 3.891 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1cccs1 ZINC000036209734 554202971 /nfs/dbraw/zinc/20/29/71/554202971.db2.gz FGRMDAVRPHPNOO-FQEVSTJZSA-N 0 0 504.450 3.784 50 0 KHAARN O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1cccs1 ZINC000036209736 554203013 /nfs/dbraw/zinc/20/30/13/554203013.db2.gz FGRMDAVRPHPNOO-HXUWFJFHSA-N 0 0 504.450 3.784 50 0 KHAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210166 554203348 /nfs/dbraw/zinc/20/33/48/554203348.db2.gz LCTJMADOSJTPDH-HSZRJFAPSA-N 0 0 530.463 3.977 50 0 KHAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210167 554203301 /nfs/dbraw/zinc/20/33/01/554203301.db2.gz LCTJMADOSJTPDH-QHCPKHFHSA-N 0 0 530.463 3.977 50 0 KHAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210210 554203354 /nfs/dbraw/zinc/20/33/54/554203354.db2.gz LHHQMTJXQAOAKL-HSZRJFAPSA-N 0 0 530.463 3.881 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210211 554203394 /nfs/dbraw/zinc/20/33/94/554203394.db2.gz LHHQMTJXQAOAKL-QHCPKHFHSA-N 0 0 530.463 3.881 50 0 KHAARN COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036210264 554203322 /nfs/dbraw/zinc/20/33/22/554203322.db2.gz ZHIFFNUZAAZJHM-JOCHJYFZSA-N 0 0 505.537 3.889 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000036210265 554203364 /nfs/dbraw/zinc/20/33/64/554203364.db2.gz ZHIFFNUZAAZJHM-QFIPXVFZSA-N 0 0 505.537 3.889 50 0 KHAARN COc1ccc(C(=O)N[C@@H](C(=O)NC(C)C)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210292 554203358 /nfs/dbraw/zinc/20/33/58/554203358.db2.gz KIGAEQPEKHBHLC-JOCHJYFZSA-N 0 0 516.436 3.633 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)NC(C)C)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210293 554203402 /nfs/dbraw/zinc/20/34/02/554203402.db2.gz KIGAEQPEKHBHLC-QFIPXVFZSA-N 0 0 516.436 3.633 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210610 554203712 /nfs/dbraw/zinc/20/37/12/554203712.db2.gz OPGDLKHQVZSKOR-QHCPKHFHSA-N 0 0 528.447 3.731 50 0 KHAARN COc1ccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000036210611 554203763 /nfs/dbraw/zinc/20/37/63/554203763.db2.gz OPGDLKHQVZSKOR-HSZRJFAPSA-N 0 0 528.447 3.731 50 0 KHAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210716 554203683 /nfs/dbraw/zinc/20/36/83/554203683.db2.gz ZXRABDVVUOEBIK-QHCPKHFHSA-N 0 0 530.463 3.561 50 0 KHAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210717 554203717 /nfs/dbraw/zinc/20/37/17/554203717.db2.gz ZXRABDVVUOEBIK-HSZRJFAPSA-N 0 0 530.463 3.561 50 0 KHAARN CCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210754 554203751 /nfs/dbraw/zinc/20/37/51/554203751.db2.gz DOGKNUSLQSYHRY-JOCHJYFZSA-N 0 0 500.437 3.935 50 0 KHAARN CCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036210755 554203745 /nfs/dbraw/zinc/20/37/45/554203745.db2.gz DOGKNUSLQSYHRY-QFIPXVFZSA-N 0 0 500.437 3.935 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000036211321 554203732 /nfs/dbraw/zinc/20/37/32/554203732.db2.gz GTNPTBWESAZOOJ-DEOSSOPVSA-N 0 0 512.006 3.732 50 0 biogenic KHAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000036211322 554203736 /nfs/dbraw/zinc/20/37/36/554203736.db2.gz GTNPTBWESAZOOJ-XMMPIXPASA-N 0 0 512.006 3.732 50 0 biogenic KHAARN CC(C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211451 554203916 /nfs/dbraw/zinc/20/39/16/554203916.db2.gz PIFVROMNDNVAFJ-JOCHJYFZSA-N 0 0 519.520 3.610 50 0 KHAARN CC(C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211452 554203998 /nfs/dbraw/zinc/20/39/98/554203998.db2.gz PIFVROMNDNVAFJ-QFIPXVFZSA-N 0 0 519.520 3.610 50 0 KHAARN CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211589 554203969 /nfs/dbraw/zinc/20/39/69/554203969.db2.gz WWHSQHSEKVWLRL-JOCHJYFZSA-N 0 0 519.520 3.611 50 0 KHAARN CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036211590 554203982 /nfs/dbraw/zinc/20/39/82/554203982.db2.gz WWHSQHSEKVWLRL-QFIPXVFZSA-N 0 0 519.520 3.611 50 0 KHAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036212214 554204323 /nfs/dbraw/zinc/20/43/23/554204323.db2.gz MSNPSRCRDRJEDH-QHCPKHFHSA-N 0 0 517.548 3.523 50 0 KHAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000036212215 554204369 /nfs/dbraw/zinc/20/43/69/554204369.db2.gz MSNPSRCRDRJEDH-HSZRJFAPSA-N 0 0 517.548 3.523 50 0 KHAARN CCCNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036213408 554204658 /nfs/dbraw/zinc/20/46/58/554204658.db2.gz UBPDBNUPIYVXEK-JOCHJYFZSA-N 0 0 500.437 3.935 50 0 KHAARN CCCNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036213410 554204685 /nfs/dbraw/zinc/20/46/85/554204685.db2.gz UBPDBNUPIYVXEK-QFIPXVFZSA-N 0 0 500.437 3.935 50 0 KHAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1F)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213794 554204623 /nfs/dbraw/zinc/20/46/23/554204623.db2.gz OKHJAIYNQZPPAE-JOCHJYFZSA-N 0 0 504.990 3.674 50 0 KHAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213796 554204649 /nfs/dbraw/zinc/20/46/49/554204649.db2.gz OKHJAIYNQZPPAE-QFIPXVFZSA-N 0 0 504.990 3.674 50 0 KHAARN COCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213961 554204646 /nfs/dbraw/zinc/20/46/46/554204646.db2.gz WMGLWKLLNZHSLX-OAQYLSRUSA-N 0 0 507.418 3.799 50 0 KHAARN COCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036213963 554204583 /nfs/dbraw/zinc/20/45/83/554204583.db2.gz WMGLWKLLNZHSLX-NRFANRHFSA-N 0 0 507.418 3.799 50 0 KHAARN COCCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214289 554204865 /nfs/dbraw/zinc/20/48/65/554204865.db2.gz OSUNBFNNAXVZGZ-HSZRJFAPSA-N 0 0 517.026 3.544 50 0 KHAARN COCCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214291 554204831 /nfs/dbraw/zinc/20/48/31/554204831.db2.gz OSUNBFNNAXVZGZ-QHCPKHFHSA-N 0 0 517.026 3.544 50 0 KHAARN Cc1ccc(NC(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)cc1 ZINC000036214310 554204901 /nfs/dbraw/zinc/20/49/01/554204901.db2.gz SSMKWIVUJUHINA-VWLOTQADSA-N 0 0 506.603 3.779 50 0 KHAARN Cc1ccc(NC(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)N3CCCCC3)CC2)cc1 ZINC000036214312 554204921 /nfs/dbraw/zinc/20/49/21/554204921.db2.gz SSMKWIVUJUHINA-RUZDIDTESA-N 0 0 506.603 3.779 50 0 KHAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214327 554204798 /nfs/dbraw/zinc/20/47/98/554204798.db2.gz RFVFCLOVKSKNAD-HSZRJFAPSA-N 0 0 515.010 3.883 50 0 KHAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214329 554204877 /nfs/dbraw/zinc/20/48/77/554204877.db2.gz RFVFCLOVKSKNAD-QHCPKHFHSA-N 0 0 515.010 3.883 50 0 KHAARN CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214376 554205188 /nfs/dbraw/zinc/20/51/88/554205188.db2.gz PWNNKBWIPRDDKO-JOCHJYFZSA-N 0 0 500.983 3.637 50 0 KHAARN CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036214378 554205151 /nfs/dbraw/zinc/20/51/51/554205151.db2.gz PWNNKBWIPRDDKO-QFIPXVFZSA-N 0 0 500.983 3.637 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 ZINC000036214388 554205182 /nfs/dbraw/zinc/20/51/82/554205182.db2.gz FFOFRWNLICWCGC-QHCPKHFHSA-N 0 0 512.994 3.734 50 0 KHAARN O=C(N[C@@H](C(=O)N1CCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 ZINC000036214390 554205117 /nfs/dbraw/zinc/20/51/17/554205117.db2.gz FFOFRWNLICWCGC-HSZRJFAPSA-N 0 0 512.994 3.734 50 0 KHAARN COc1ccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000036214451 554205213 /nfs/dbraw/zinc/20/52/13/554205213.db2.gz QTUMMMLFRBLHCI-HSZRJFAPSA-N 0 0 500.640 3.814 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000036214453 554205172 /nfs/dbraw/zinc/20/51/72/554205172.db2.gz QTUMMMLFRBLHCI-QHCPKHFHSA-N 0 0 500.640 3.814 50 0 KHAARN COc1cccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 ZINC000036214503 554205177 /nfs/dbraw/zinc/20/51/77/554205177.db2.gz NKPCGJHEHFZEHL-HSZRJFAPSA-N 0 0 500.640 3.814 50 0 KHAARN COc1cccc(C(=O)N[C@H](C(=O)NCC(C)C)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1 ZINC000036214505 554205091 /nfs/dbraw/zinc/20/50/91/554205091.db2.gz NKPCGJHEHFZEHL-QHCPKHFHSA-N 0 0 500.640 3.814 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000036214530 554205141 /nfs/dbraw/zinc/20/51/41/554205141.db2.gz QWCNKIGOTRTXHF-DEOSSOPVSA-N 0 0 526.634 3.774 50 0 KHAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000036214532 554205080 /nfs/dbraw/zinc/20/50/80/554205080.db2.gz QWCNKIGOTRTXHF-XMMPIXPASA-N 0 0 526.634 3.774 50 0 KHAARN CC(C)CNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214538 554205097 /nfs/dbraw/zinc/20/50/97/554205097.db2.gz GZFSBKRFTVRILR-HSZRJFAPSA-N 0 0 514.623 3.534 50 0 KHAARN CC(C)CNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214540 554205103 /nfs/dbraw/zinc/20/51/03/554205103.db2.gz GZFSBKRFTVRILR-QHCPKHFHSA-N 0 0 514.623 3.534 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214545 554205219 /nfs/dbraw/zinc/20/52/19/554205219.db2.gz DAWVHXSCQFAFER-WAIKUNEKSA-N 0 0 514.623 3.677 50 0 KHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214548 554205162 /nfs/dbraw/zinc/20/51/62/554205162.db2.gz DAWVHXSCQFAFER-QMHKHESXSA-N 0 0 514.623 3.677 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214549 554205135 /nfs/dbraw/zinc/20/51/35/554205135.db2.gz DAWVHXSCQFAFER-MWTRTKDXSA-N 0 0 514.623 3.677 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000036214551 554205131 /nfs/dbraw/zinc/20/51/31/554205131.db2.gz DAWVHXSCQFAFER-HJPURHCSSA-N 0 0 514.623 3.677 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000036214662 554205446 /nfs/dbraw/zinc/20/54/46/554205446.db2.gz IFWGTQQVJQBPAP-QHCPKHFHSA-N 0 0 504.052 3.552 50 0 KHAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000036214664 554205489 /nfs/dbraw/zinc/20/54/89/554205489.db2.gz IFWGTQQVJQBPAP-HSZRJFAPSA-N 0 0 504.052 3.552 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)CC2)cc1 ZINC000036214690 554205456 /nfs/dbraw/zinc/20/54/56/554205456.db2.gz HQQTXLVOGQVGAM-SANMLTNESA-N 0 0 505.640 3.511 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)CC2)cc1 ZINC000036214691 554205500 /nfs/dbraw/zinc/20/55/00/554205500.db2.gz HQQTXLVOGQVGAM-AREMUKBSSA-N 0 0 505.640 3.511 50 0 KHAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214719 554205484 /nfs/dbraw/zinc/20/54/84/554205484.db2.gz KWBSPCCABHVIHZ-WZONZLPQSA-N 0 0 506.068 3.700 50 0 KHAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214720 554205480 /nfs/dbraw/zinc/20/54/80/554205480.db2.gz KWBSPCCABHVIHZ-FDDCHVKYSA-N 0 0 506.068 3.700 50 0 KHAARN CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214722 554205476 /nfs/dbraw/zinc/20/54/76/554205476.db2.gz KWBSPCCABHVIHZ-JPYJTQIMSA-N 0 0 506.068 3.700 50 0 KHAARN CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214723 554205453 /nfs/dbraw/zinc/20/54/53/554205453.db2.gz KWBSPCCABHVIHZ-MBSDFSHPSA-N 0 0 506.068 3.700 50 0 KHAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036214725 554205439 /nfs/dbraw/zinc/20/54/39/554205439.db2.gz IMASDKIXDVIIGQ-DEOSSOPVSA-N 0 0 518.079 3.860 50 0 KHAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036214727 554205508 /nfs/dbraw/zinc/20/55/08/554205508.db2.gz IMASDKIXDVIIGQ-XMMPIXPASA-N 0 0 518.079 3.860 50 0 KHAARN O=C(N[C@H](C(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000036214736 554205473 /nfs/dbraw/zinc/20/54/73/554205473.db2.gz YXMIHPHTXRXKER-NRFANRHFSA-N 0 0 510.081 3.613 50 0 KHAARN O=C(N[C@@H](C(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000036214738 554205494 /nfs/dbraw/zinc/20/54/94/554205494.db2.gz YXMIHPHTXRXKER-OAQYLSRUSA-N 0 0 510.081 3.613 50 0 KHAARN CC(C)[C@@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214782 554205517 /nfs/dbraw/zinc/20/55/17/554205517.db2.gz ZWKXBWASEHTACL-IIBYNOLFSA-N 0 0 512.097 3.762 50 0 KHAARN CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214784 554205487 /nfs/dbraw/zinc/20/54/87/554205487.db2.gz ZWKXBWASEHTACL-HRAATJIYSA-N 0 0 512.097 3.762 50 0 KHAARN CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214786 554205431 /nfs/dbraw/zinc/20/54/31/554205431.db2.gz ZWKXBWASEHTACL-IERDGZPVSA-N 0 0 512.097 3.762 50 0 KHAARN CC(C)[C@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214788 554205466 /nfs/dbraw/zinc/20/54/66/554205466.db2.gz ZWKXBWASEHTACL-KKSFZXQISA-N 0 0 512.097 3.762 50 0 KHAARN COCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccc(OC)cc3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036216033 554206687 /nfs/dbraw/zinc/20/66/87/554206687.db2.gz OJRKTRBVILDRER-DQEYMECFSA-N 0 0 503.555 3.772 50 0 KHAARN COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3ccc(OC)cc3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036216035 554206817 /nfs/dbraw/zinc/20/68/17/554206817.db2.gz OJRKTRBVILDRER-RPBOFIJWSA-N 0 0 503.555 3.772 50 0 KHAARN COCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3ccc(OC)cc3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036216036 554206673 /nfs/dbraw/zinc/20/66/73/554206673.db2.gz OJRKTRBVILDRER-LOSJGSFVSA-N 0 0 503.555 3.772 50 0 KHAARN COCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(OC)cc3)cc2)OC(=O)N1Cc1ccccc1 ZINC000036216037 554206757 /nfs/dbraw/zinc/20/67/57/554206757.db2.gz OJRKTRBVILDRER-JWQCQUIFSA-N 0 0 503.555 3.772 50 0 KHAARN CN1CCN(C(=O)[C@@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220931 554209495 /nfs/dbraw/zinc/20/94/95/554209495.db2.gz GJUSIWZWAWOWJO-ZEQRLZLVSA-N 0 0 522.602 3.976 50 0 KHAARN CN1CCN(C(=O)[C@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220934 554209437 /nfs/dbraw/zinc/20/94/37/554209437.db2.gz GJUSIWZWAWOWJO-RPWUZVMVSA-N 0 0 522.602 3.976 50 0 KHAARN CN1CCN(C(=O)[C@@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220938 554209461 /nfs/dbraw/zinc/20/94/61/554209461.db2.gz GJUSIWZWAWOWJO-BJKOFHAPSA-N 0 0 522.602 3.976 50 0 KHAARN CN1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220942 554209526 /nfs/dbraw/zinc/20/95/26/554209526.db2.gz GJUSIWZWAWOWJO-DNQXCXABSA-N 0 0 522.602 3.976 50 0 KHAARN COCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1cccc(OC)c1 ZINC000036221056 554209476 /nfs/dbraw/zinc/20/94/76/554209476.db2.gz YCIPHOQGJGSUKC-DQEYMECFSA-N 0 0 521.545 3.911 50 0 KHAARN COCCNC(=O)[C@H]1[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1cccc(OC)c1 ZINC000036221058 554209428 /nfs/dbraw/zinc/20/94/28/554209428.db2.gz YCIPHOQGJGSUKC-RPBOFIJWSA-N 0 0 521.545 3.911 50 0 KHAARN COCCNC(=O)[C@@H]1[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1cccc(OC)c1 ZINC000036221060 554209546 /nfs/dbraw/zinc/20/95/46/554209546.db2.gz YCIPHOQGJGSUKC-LOSJGSFVSA-N 0 0 521.545 3.911 50 0 KHAARN COCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1cccc(OC)c1 ZINC000036221063 554209676 /nfs/dbraw/zinc/20/96/76/554209676.db2.gz YCIPHOQGJGSUKC-JWQCQUIFSA-N 0 0 521.545 3.911 50 0 KHAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036302805 554212967 /nfs/dbraw/zinc/21/29/67/554212967.db2.gz PKLUJMRTEOJQBG-XMMPIXPASA-N 0 0 506.647 3.893 50 0 KHAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036302807 554212988 /nfs/dbraw/zinc/21/29/88/554212988.db2.gz PKLUJMRTEOJQBG-DEOSSOPVSA-N 0 0 506.647 3.893 50 0 KHAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000036308637 554216873 /nfs/dbraw/zinc/21/68/73/554216873.db2.gz UWRPLLSNNGEQRD-VPUSJEBWSA-N 0 0 506.647 3.647 50 0 KHAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000036308641 554216651 /nfs/dbraw/zinc/21/66/51/554216651.db2.gz UWRPLLSNNGEQRD-XNMGPUDCSA-N 0 0 506.647 3.647 50 0 KHAARN CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309213 554216863 /nfs/dbraw/zinc/21/68/63/554216863.db2.gz JYTSZUNFOZKWHH-YKSBVNFPSA-N 0 0 502.608 3.885 50 0 KHAARN CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1 ZINC000036309214 554216778 /nfs/dbraw/zinc/21/67/78/554216778.db2.gz JYTSZUNFOZKWHH-RDPSFJRHSA-N 0 0 502.608 3.885 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1 ZINC000036312006 554218543 /nfs/dbraw/zinc/21/85/43/554218543.db2.gz NZSDTZAHPDIGGV-AREMUKBSSA-N 0 0 508.619 3.618 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)c1 ZINC000036312007 554218464 /nfs/dbraw/zinc/21/84/64/554218464.db2.gz NZSDTZAHPDIGGV-SANMLTNESA-N 0 0 508.619 3.618 50 0 KHAARN COc1ccc(C(=O)N2CCN([C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)cc1OC ZINC000036312018 554218395 /nfs/dbraw/zinc/21/83/95/554218395.db2.gz NNTVBBZTXTYWLD-AREMUKBSSA-N 0 0 508.619 3.618 50 0 KHAARN COc1ccc(C(=O)N2CCN([C@H](C(=O)Nc3ccc(NC(C)=O)cc3)C3CCCC3)CC2)cc1OC ZINC000036312019 554218494 /nfs/dbraw/zinc/21/84/94/554218494.db2.gz NNTVBBZTXTYWLD-SANMLTNESA-N 0 0 508.619 3.618 50 0 KHAARN COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036312921 554218951 /nfs/dbraw/zinc/21/89/51/554218951.db2.gz GMVLZHIYVBREAF-UHFFFAOYSA-N 0 0 516.639 3.768 50 0 KHAARN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036316420 554219557 /nfs/dbraw/zinc/21/95/57/554219557.db2.gz MHGVBCTVDTWJDN-XMMPIXPASA-N 0 0 506.647 3.893 50 0 KHAARN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036316421 554219625 /nfs/dbraw/zinc/21/96/25/554219625.db2.gz MHGVBCTVDTWJDN-DEOSSOPVSA-N 0 0 506.647 3.893 50 0 KHAARN CCOC(=O)c1oc2nc(C(C)C)c3c(c2c1NC(=O)CN1CCN(C(=O)OCC)CC1)CCCC3 ZINC000036338848 554219925 /nfs/dbraw/zinc/21/99/25/554219925.db2.gz MWGYIGVOZNVXRF-UHFFFAOYSA-N 0 0 500.596 3.719 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341249 554220930 /nfs/dbraw/zinc/22/09/30/554220930.db2.gz XBOKLDJKODNBBQ-VWLOTQADSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341250 554220776 /nfs/dbraw/zinc/22/07/76/554220776.db2.gz XBOKLDJKODNBBQ-RUZDIDTESA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341253 554220793 /nfs/dbraw/zinc/22/07/93/554220793.db2.gz KEVAVRLQOGBIBZ-NLFFAJNJSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341254 554220917 /nfs/dbraw/zinc/22/09/17/554220917.db2.gz KEVAVRLQOGBIBZ-CPJSRVTESA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccccc2OC)CC1 ZINC000036341439 554220990 /nfs/dbraw/zinc/22/09/90/554220990.db2.gz QPSNFZWZOSAIRI-DEOSSOPVSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341440 554220823 /nfs/dbraw/zinc/22/08/23/554220823.db2.gz QPSNFZWZOSAIRI-XMMPIXPASA-N 0 0 509.603 3.665 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341846 554221279 /nfs/dbraw/zinc/22/12/79/554221279.db2.gz IDVYZHVKJJESOJ-MHZLTWQESA-N 0 0 512.610 3.919 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341847 554221092 /nfs/dbraw/zinc/22/10/92/554221092.db2.gz IDVYZHVKJJESOJ-HHHXNRCGSA-N 0 0 512.610 3.919 50 0 KHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036342654 554221563 /nfs/dbraw/zinc/22/15/63/554221563.db2.gz GFKJNFLDJXMKMB-VWLOTQADSA-N 0 0 508.619 3.772 50 0 KHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036342655 554221618 /nfs/dbraw/zinc/22/16/18/554221618.db2.gz GFKJNFLDJXMKMB-RUZDIDTESA-N 0 0 508.619 3.772 50 0 KHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(C)cc2C)CC1 ZINC000036343169 554221725 /nfs/dbraw/zinc/22/17/25/554221725.db2.gz XBDLHMSMGWBTGT-VWLOTQADSA-N 0 0 508.619 3.772 50 0 KHAARN CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(C)cc2C)CC1 ZINC000036343171 554221536 /nfs/dbraw/zinc/22/15/36/554221536.db2.gz XBDLHMSMGWBTGT-RUZDIDTESA-N 0 0 508.619 3.772 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343242 554221596 /nfs/dbraw/zinc/22/15/96/554221596.db2.gz JXNCZHYQUXQTNE-NLFFAJNJSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343243 554221642 /nfs/dbraw/zinc/22/16/42/554221642.db2.gz JXNCZHYQUXQTNE-CPJSRVTESA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343305 554222019 /nfs/dbraw/zinc/22/20/19/554222019.db2.gz AVRAHLMBCCHMEA-NLFFAJNJSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343307 554221844 /nfs/dbraw/zinc/22/18/44/554221844.db2.gz AVRAHLMBCCHMEA-CPJSRVTESA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344387 554223062 /nfs/dbraw/zinc/22/30/62/554223062.db2.gz LDKAXHQNARXHEZ-DEOSSOPVSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(OC)ccc2OC)CC1 ZINC000036344388 554223093 /nfs/dbraw/zinc/22/30/93/554223093.db2.gz LDKAXHQNARXHEZ-XMMPIXPASA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344391 554223047 /nfs/dbraw/zinc/22/30/47/554223047.db2.gz QORZYGVSQFPDOL-DVECYGJZSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(OC)ccc2OC)C1 ZINC000036344392 554222979 /nfs/dbraw/zinc/22/29/79/554222979.db2.gz QORZYGVSQFPDOL-CYFREDJKSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344480 554223303 /nfs/dbraw/zinc/22/33/03/554223303.db2.gz ATJHALADPSGPMK-DEOSSOPVSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)CC1 ZINC000036344481 554223410 /nfs/dbraw/zinc/22/34/10/554223410.db2.gz ATJHALADPSGPMK-XMMPIXPASA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344482 554223261 /nfs/dbraw/zinc/22/32/61/554223261.db2.gz KJOMXPHCBBJYTF-DVECYGJZSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344483 554223393 /nfs/dbraw/zinc/22/33/93/554223393.db2.gz KJOMXPHCBBJYTF-CYFREDJKSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036345305 554223674 /nfs/dbraw/zinc/22/36/74/554223674.db2.gz OUAWRLVZTMXVAG-QHCPKHFHSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345306 554223684 /nfs/dbraw/zinc/22/36/84/554223684.db2.gz OUAWRLVZTMXVAG-HSZRJFAPSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345311 554223711 /nfs/dbraw/zinc/22/37/11/554223711.db2.gz DJRZNXYVQHRCTG-OFNKIYASSA-N 0 0 509.603 3.665 50 0 KHAARN CCOC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345312 554223656 /nfs/dbraw/zinc/22/36/56/554223656.db2.gz DJRZNXYVQHRCTG-REWPJTCUSA-N 0 0 509.603 3.665 50 0 KHAARN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369498 554224295 /nfs/dbraw/zinc/22/42/95/554224295.db2.gz CWWJSEGCCZBEOE-FEHIMPAZSA-N 0 0 516.682 3.783 50 0 biogenic KHAARN CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C1=O ZINC000036390243 554224690 /nfs/dbraw/zinc/22/46/90/554224690.db2.gz QOFNDJNJQSSSCH-OWOAZTCBSA-N 0 0 526.659 3.539 50 0 KHAARN Cc1c(NS(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000036393191 554224655 /nfs/dbraw/zinc/22/46/55/554224655.db2.gz JFUQYBNBJQYALI-UHFFFAOYSA-N 0 0 508.575 3.697 50 0 KHAARN COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(O)cc1 ZINC000036556603 554225225 /nfs/dbraw/zinc/22/52/25/554225225.db2.gz HRSWADFWTNGBOC-OSSDZZHWSA-N 0 0 518.566 3.727 50 0 KHAARN O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 ZINC000036614558 554226283 /nfs/dbraw/zinc/22/62/83/554226283.db2.gz MIKSSXCPRYIPMR-UHFFFAOYSA-N 0 0 512.332 3.912 50 0 KHAARN COc1ccc(-c2nc3ccccc3c(N(CCCN3CCOCC3)CCC(=O)NCC(C)C)n2)cc1 ZINC000037263817 554231226 /nfs/dbraw/zinc/23/12/26/554231226.db2.gz ASAORHCIYGLBTQ-UHFFFAOYSA-N 0 0 505.663 3.996 50 0 KHAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3C(C)(C)C)[C@H](c3ccsc3)SCC2=O)CC1 ZINC000037264056 554231934 /nfs/dbraw/zinc/23/19/34/554231934.db2.gz BTNDFLQTYORXAS-QFIPXVFZSA-N 0 0 531.748 3.857 50 0 KHAARN CC(=O)N1CCN(C(=O)CN2c3c(c(C(C)(C)C)nn3C(C)(C)C)[C@@H](c3ccsc3)SCC2=O)CC1 ZINC000037264057 554231899 /nfs/dbraw/zinc/23/18/99/554231899.db2.gz BTNDFLQTYORXAS-JOCHJYFZSA-N 0 0 531.748 3.857 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCc2ccccn2)C(=O)CO3)c(C)c1 ZINC000037275313 554232828 /nfs/dbraw/zinc/23/28/28/554232828.db2.gz SYVFPXMMUMJHIC-UHFFFAOYSA-N 0 0 501.583 3.825 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCc2ccccn2)C(=O)CO3)cc1C ZINC000037275341 554232808 /nfs/dbraw/zinc/23/28/08/554232808.db2.gz ANMZUUZJWSBQQK-UHFFFAOYSA-N 0 0 501.583 3.825 50 0 KHAARN Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCCc2ccccn2)C(=O)CO3)c1 ZINC000037275371 554232775 /nfs/dbraw/zinc/23/27/75/554232775.db2.gz LLHPLEHMUAEYQW-UHFFFAOYSA-N 0 0 501.583 3.825 50 0 KHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NC(=O)COc3ccccc3)CC2)cc1OC ZINC000037276494 554233108 /nfs/dbraw/zinc/23/31/08/554233108.db2.gz JWIYXXDHFFAJQM-UHFFFAOYSA-N 0 0 517.626 3.840 50 0 biogenic KHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037277513 554233300 /nfs/dbraw/zinc/23/33/00/554233300.db2.gz VQFQQKJKMYYFMG-UHFFFAOYSA-N 0 0 511.619 3.754 50 0 KHAARN COc1cccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)N3CCN(C(C)=O)CC3)cc2)c1 ZINC000037279493 554233363 /nfs/dbraw/zinc/23/33/63/554233363.db2.gz OYUMQTPGUWLXJW-UHFFFAOYSA-N 0 0 503.574 3.915 50 0 KHAARN Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)N5CCOCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037282258 554234442 /nfs/dbraw/zinc/23/44/42/554234442.db2.gz JACYXUCFQOWLEN-HHHXNRCGSA-N 0 0 501.583 3.919 50 0 KHAARN Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)N5CCOCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037282261 554234454 /nfs/dbraw/zinc/23/44/54/554234454.db2.gz JACYXUCFQOWLEN-MHZLTWQESA-N 0 0 501.583 3.919 50 0 KHAARN O=C(c1coc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1)N1CCOCC1 ZINC000037282282 554234424 /nfs/dbraw/zinc/23/44/24/554234424.db2.gz RIOBRGWNLFRGSP-AREMUKBSSA-N 0 0 505.546 3.749 50 0 KHAARN O=C(c1coc(COc2ccc3c(c2)[C@H](c2cccc(F)c2)N(C(=O)C2CC2)CC3)n1)N1CCOCC1 ZINC000037282284 554234497 /nfs/dbraw/zinc/23/44/97/554234497.db2.gz RIOBRGWNLFRGSP-SANMLTNESA-N 0 0 505.546 3.749 50 0 KHAARN CCCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCCN(C(=O)CCC(=O)OCC)CC2)n1 ZINC000037378681 554235863 /nfs/dbraw/zinc/23/58/63/554235863.db2.gz UZCRKLJMPOQVQP-UHFFFAOYSA-N 0 0 510.614 3.988 50 0 KHAARN COCC(=O)N1CCCN(c2nc(Cc3ccc(C)cc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037378794 554236190 /nfs/dbraw/zinc/23/61/90/554236190.db2.gz UUHSRSSQDPVUMW-UHFFFAOYSA-N 0 0 502.594 3.847 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2nc(Cc3ccccc3)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037379661 554236892 /nfs/dbraw/zinc/23/68/92/554236892.db2.gz UYTGWBVHHPHRHS-UHFFFAOYSA-N 0 0 530.604 3.846 50 0 KHAARN CCOC(=O)CCC(=O)N1CCN(c2nc(CCC(C)C)nc3c2c(C)nn3-c2ccc(F)cc2)CC1 ZINC000037379961 554237280 /nfs/dbraw/zinc/23/72/80/554237280.db2.gz SBPFKFQUZUEKSL-UHFFFAOYSA-N 0 0 510.614 3.844 50 0 KHAARN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(S(C)(=O)=O)CC3)c12 ZINC000037380665 554237472 /nfs/dbraw/zinc/23/74/72/554237472.db2.gz XWDAQGPNFCOLER-UHFFFAOYSA-N 0 0 508.623 3.634 50 0 KHAARN CCN1CCN(C(=O)CCN(CCCN2CCOCC2)c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000037383018 554237959 /nfs/dbraw/zinc/23/79/59/554237959.db2.gz ZIQASMQLNBHBTF-UHFFFAOYSA-N 0 0 534.680 3.519 50 0 KHAARN O=C(CCN(Cc1ccco1)c1nc(-c2ccc(F)cc2)nc2ccccc21)NCCN1CCOCC1 ZINC000037383348 554238015 /nfs/dbraw/zinc/23/80/15/554238015.db2.gz FPWATORTMJJEPR-UHFFFAOYSA-N 0 0 503.578 3.874 50 0 KHAARN COc1ccc(-c2nc3ccccc3c(N(CCCN3CCOCC3)CCC(=O)N3CCCC3)n2)cc1 ZINC000037384503 554238403 /nfs/dbraw/zinc/23/84/03/554238403.db2.gz RNHSKQMJSKZIGA-UHFFFAOYSA-N 0 0 503.647 3.847 50 0 KHAARN COc1ccc(-c2nc3ccccc3c(N(CCC(=O)NCCN3CCOCC3)Cc3ccco3)n2)cc1 ZINC000037384507 554238413 /nfs/dbraw/zinc/23/84/13/554238413.db2.gz RVXGECTUQMSKGH-UHFFFAOYSA-N 0 0 515.614 3.744 50 0 KHAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)N1CCOCC1 ZINC000037384646 554238564 /nfs/dbraw/zinc/23/85/64/554238564.db2.gz HNACZVMAZLDMPN-UHFFFAOYSA-N 0 0 524.065 3.728 50 0 KHAARN COCCNC(=O)CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037384669 554238794 /nfs/dbraw/zinc/23/87/94/554238794.db2.gz KITIVAQDVMAUBL-UHFFFAOYSA-N 0 0 512.054 3.632 50 0 KHAARN COc1ccc(NC(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccc(C(C)=O)cc3)c2=O)cc1OC ZINC000037399457 554241718 /nfs/dbraw/zinc/24/17/18/554241718.db2.gz ZEMCCLLWRHMIHZ-UHFFFAOYSA-N 0 0 507.930 3.664 50 0 KHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C(=O)c1ccccc1F ZINC000037399915 554241609 /nfs/dbraw/zinc/24/16/09/554241609.db2.gz LJPLNZGNSXGAIH-UHFFFAOYSA-N 0 0 500.548 3.841 50 0 KHAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037399929 554241748 /nfs/dbraw/zinc/24/17/48/554241748.db2.gz SIKJQZGQEOKFNA-NRFANRHFSA-N 0 0 504.605 3.585 50 0 KHAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037399932 554241566 /nfs/dbraw/zinc/24/15/66/554241566.db2.gz SIKJQZGQEOKFNA-OAQYLSRUSA-N 0 0 504.605 3.585 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)c1cccc(F)c1 ZINC000037399945 554241619 /nfs/dbraw/zinc/24/16/19/554241619.db2.gz DKHRXVZLPOFQQV-UHFFFAOYSA-N 0 0 503.548 3.899 50 0 KHAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400317 554241906 /nfs/dbraw/zinc/24/19/06/554241906.db2.gz UNGVPVCYEVUDKL-QFIPXVFZSA-N 0 0 516.616 3.729 50 0 KHAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)C2CCC2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400320 554242028 /nfs/dbraw/zinc/24/20/28/554242028.db2.gz UNGVPVCYEVUDKL-JOCHJYFZSA-N 0 0 516.616 3.729 50 0 KHAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400323 554242058 /nfs/dbraw/zinc/24/20/58/554242058.db2.gz LGKDGHNMQNXNNU-QFIPXVFZSA-N 0 0 518.632 3.975 50 0 KHAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400326 554242069 /nfs/dbraw/zinc/24/20/69/554242069.db2.gz LGKDGHNMQNXNNU-JOCHJYFZSA-N 0 0 518.632 3.975 50 0 KHAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400790 554241929 /nfs/dbraw/zinc/24/19/29/554241929.db2.gz XVOIRXUMFOOUMM-NRFANRHFSA-N 0 0 533.647 3.910 50 0 KHAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NC(C)(C)C)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000037400793 554242005 /nfs/dbraw/zinc/24/20/05/554242005.db2.gz XVOIRXUMFOOUMM-OAQYLSRUSA-N 0 0 533.647 3.910 50 0 KHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)C(=O)c1cccc(F)c1 ZINC000037401093 554242182 /nfs/dbraw/zinc/24/21/82/554242182.db2.gz DRXCLTYUSYLJFV-UHFFFAOYSA-N 0 0 500.548 3.841 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(OC)cc2)c1)C(=O)c1ccccc1F ZINC000037401127 554242122 /nfs/dbraw/zinc/24/21/22/554242122.db2.gz MMZXMTIXDVTJBV-UHFFFAOYSA-N 0 0 503.548 3.899 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1cccs1 ZINC000037401252 554242240 /nfs/dbraw/zinc/24/22/40/554242240.db2.gz KLYVSFPFEVNXNQ-UHFFFAOYSA-N 0 0 518.613 3.772 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)CC(C)(C)C ZINC000037401257 554242247 /nfs/dbraw/zinc/24/22/47/554242247.db2.gz LVVBRTUTPREKAQ-UHFFFAOYSA-N 0 0 506.621 3.833 50 0 KHAARN CCNC(=O)N(Cc1ccco1)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000037401483 554242489 /nfs/dbraw/zinc/24/24/89/554242489.db2.gz YTLMVBOGKOFNRO-UHFFFAOYSA-N 0 0 501.561 3.746 50 0 KHAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C[C@@H]3CCCO3)C(=O)NC(C)(C)C)ccc2OC)cc1 ZINC000037401498 554242534 /nfs/dbraw/zinc/24/25/34/554242534.db2.gz YJAFWKRHKDOQDD-FQEVSTJZSA-N 0 0 506.621 3.961 50 0 KHAARN COc1ccc(S(=O)(=O)Oc2cc(CN(C[C@H]3CCCO3)C(=O)NC(C)(C)C)ccc2OC)cc1 ZINC000037401501 554242527 /nfs/dbraw/zinc/24/25/27/554242527.db2.gz YJAFWKRHKDOQDD-HXUWFJFHSA-N 0 0 506.621 3.961 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NCC3CC3)C[C@@H](O)[C@@H](O)[C@H](OCc3cccc(C(F)(F)F)c3)C2)c1 ZINC000037402724 554242503 /nfs/dbraw/zinc/24/25/03/554242503.db2.gz KIUWABBRFXSECK-GWZVJQKXSA-N 0 0 507.549 3.896 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NCC3CC3)C[C@@H](O)[C@@H](O)[C@@H](OCc3cccc(C(F)(F)F)c3)C2)c1 ZINC000037402728 554242461 /nfs/dbraw/zinc/24/24/61/554242461.db2.gz KIUWABBRFXSECK-TWZJLLKVSA-N 0 0 507.549 3.896 50 0 KHAARN COCCN(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1cccc(F)c1 ZINC000037403152 554242657 /nfs/dbraw/zinc/24/26/57/554242657.db2.gz SECKRAOPUOPXMH-UHFFFAOYSA-N 0 0 500.548 3.841 50 0 KHAARN COCCNC(=O)[C@]1(OCc2ccc(F)cc2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2F)C1 ZINC000037403645 554242678 /nfs/dbraw/zinc/24/26/78/554242678.db2.gz CWQPZKMMKNUTJT-AALWMKDKSA-N 0 0 505.558 3.882 50 0 KHAARN COCCNC(=O)[C@]1(OCc2ccc(F)cc2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2F)C1 ZINC000037403649 554242621 /nfs/dbraw/zinc/24/26/21/554242621.db2.gz CWQPZKMMKNUTJT-CHQSNSNVSA-N 0 0 505.558 3.882 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3ccc(F)cc3)C2)c1 ZINC000037420636 554242922 /nfs/dbraw/zinc/24/29/22/554242922.db2.gz BTXKENSPXWLRAX-NANFOGFDSA-N 0 0 528.621 3.652 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3ccc(F)cc3)C2)c1 ZINC000037420641 554242935 /nfs/dbraw/zinc/24/29/35/554242935.db2.gz BTXKENSPXWLRAX-XWDJFTLGSA-N 0 0 528.621 3.652 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3ccccc3F)C2)c1 ZINC000037420644 554242880 /nfs/dbraw/zinc/24/28/80/554242880.db2.gz ALRBBIYYDXLVRZ-NANFOGFDSA-N 0 0 528.621 3.652 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3ccccc3F)C2)c1 ZINC000037420649 554242882 /nfs/dbraw/zinc/24/28/82/554242882.db2.gz ALRBBIYYDXLVRZ-XWDJFTLGSA-N 0 0 528.621 3.652 50 0 KHAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000037423189 554243511 /nfs/dbraw/zinc/24/35/11/554243511.db2.gz RRCHLCVZOVGRER-FQEVSTJZSA-N 0 0 510.012 3.777 50 0 KHAARN CCNC(=O)N(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C[C@H]1CCCO1 ZINC000037423192 554243525 /nfs/dbraw/zinc/24/35/25/554243525.db2.gz RRCHLCVZOVGRER-HXUWFJFHSA-N 0 0 510.012 3.777 50 0 KHAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)NCc3cccnc3)c3c2c(C(C)(C)C)nn3C)cc1OC ZINC000037424449 554244285 /nfs/dbraw/zinc/24/42/85/554244285.db2.gz YJYJWKOGWRIGMO-XMMPIXPASA-N 0 0 523.659 3.615 50 0 KHAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCc3cccnc3)c3c2c(C(C)(C)C)nn3C)cc1OC ZINC000037424451 554244208 /nfs/dbraw/zinc/24/42/08/554244208.db2.gz YJYJWKOGWRIGMO-DEOSSOPVSA-N 0 0 523.659 3.615 50 0 KHAARN COCCN(CCC(=O)NC[C@@H]1CCCO1)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037425931 554245805 /nfs/dbraw/zinc/24/58/05/554245805.db2.gz CQIMWXJANQPCOJ-KRWDZBQOSA-N 0 0 500.543 3.679 50 0 KHAARN COCCN(CCC(=O)NC[C@H]1CCCO1)C(=O)c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000037425932 554245711 /nfs/dbraw/zinc/24/57/11/554245711.db2.gz CQIMWXJANQPCOJ-QGZVFWFLSA-N 0 0 500.543 3.679 50 0 KHAARN CC(=O)N1CCN(C(=O)CCN(C(=O)c2csc(Nc3cccc(C(F)(F)F)c3)n2)C2CC2)CC1 ZINC000037426210 554245789 /nfs/dbraw/zinc/24/57/89/554245789.db2.gz MBTGVXWRJULAGT-UHFFFAOYSA-N 0 0 509.554 3.591 50 0 KHAARN CC(=O)N1CCN(C(=O)CCN(C(=O)c2csc(Nc3cc(Cl)ccc3Cl)n2)C2CC2)CC1 ZINC000037426759 554246221 /nfs/dbraw/zinc/24/62/21/554246221.db2.gz IXNGEWKLYXTEFQ-UHFFFAOYSA-N 0 0 510.447 3.879 50 0 KHAARN COc1cccc(Nc2nc(C(=O)N(CCC(=O)N3CCN(C(C)=O)CC3)Cc3ccccc3)cs2)c1 ZINC000037426844 554246294 /nfs/dbraw/zinc/24/62/94/554246294.db2.gz NUNPJBYKSZBFJA-UHFFFAOYSA-N 0 0 521.643 3.619 50 0 KHAARN CC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3csc(Nc4ccc(Cl)c(Cl)c4)n3)C2)CC1 ZINC000037426914 554246205 /nfs/dbraw/zinc/24/62/05/554246205.db2.gz NZEVJHNDYNHRFU-OAHLLOKOSA-N 0 0 510.447 3.736 50 0 KHAARN CC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4ccc(Cl)c(Cl)c4)n3)C2)CC1 ZINC000037426916 554246208 /nfs/dbraw/zinc/24/62/08/554246208.db2.gz NZEVJHNDYNHRFU-HNNXBMFYSA-N 0 0 510.447 3.736 50 0 KHAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@@H](c2ccccc2OC)SCC1=O ZINC000037427509 554246983 /nfs/dbraw/zinc/24/69/83/554246983.db2.gz RIDRYZNLLTXNHD-JOCHJYFZSA-N 0 0 502.681 3.876 50 0 KHAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@H](c2ccccc2OC)SCC1=O ZINC000037427510 554246926 /nfs/dbraw/zinc/24/69/26/554246926.db2.gz RIDRYZNLLTXNHD-QFIPXVFZSA-N 0 0 502.681 3.876 50 0 KHAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000037427511 554246952 /nfs/dbraw/zinc/24/69/52/554246952.db2.gz YPOSPCBFJWPKIV-JOCHJYFZSA-N 0 0 516.664 3.596 50 0 KHAARN COCCNC(=O)CN1c2c(c(C(C)(C)C)nn2C(C)(C)C)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000037427512 554246972 /nfs/dbraw/zinc/24/69/72/554246972.db2.gz YPOSPCBFJWPKIV-QFIPXVFZSA-N 0 0 516.664 3.596 50 0 KHAARN COc1ccc(C(=O)/N=c2\sc3ccccc3n2Cc2ccc(C(=O)N3CCOCC3)o2)cc1OC ZINC000037428033 554247608 /nfs/dbraw/zinc/24/76/08/554247608.db2.gz AEEIXGNBIOVJNR-RQZHXJHFSA-N 0 0 507.568 3.575 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3cccc(OC)c3)o2)CC1 ZINC000037428040 554247629 /nfs/dbraw/zinc/24/76/29/554247629.db2.gz UVAODUSZWJZFDM-DQSJHHFOSA-N 0 0 525.627 3.973 50 0 KHAARN COc1ccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1OC ZINC000037428248 554247646 /nfs/dbraw/zinc/24/76/46/554247646.db2.gz WUSUADWEGAFYQW-RONRAANZSA-N 0 0 509.628 3.882 50 0 KHAARN COc1ccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1OC ZINC000037428249 554247660 /nfs/dbraw/zinc/24/76/60/554247660.db2.gz WUSUADWEGAFYQW-YMFVWSQDSA-N 0 0 509.628 3.882 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2cccc(Cn3ccs/c3=N\S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000037436410 554247771 /nfs/dbraw/zinc/24/77/71/554247771.db2.gz LWVIEPWEXBEFAM-RQZHXJHFSA-N 0 0 527.668 3.611 50 0 KHAARN CC[C@H]1S[C@@H](c2ccccc2C)N(CCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)C1=O ZINC000037436422 554247772 /nfs/dbraw/zinc/24/77/72/554247772.db2.gz RVVSNJAVDNZILZ-KCWPFWIISA-N 0 0 524.712 3.902 50 0 KHAARN CC[C@@H]1S[C@@H](c2ccccc2C)N(CCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)C1=O ZINC000037436425 554247806 /nfs/dbraw/zinc/24/78/06/554247806.db2.gz RVVSNJAVDNZILZ-HOFKKMOUSA-N 0 0 524.712 3.902 50 0 KHAARN CC[C@H]1S[C@H](c2ccccc2C)N(CCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)C1=O ZINC000037436427 554247783 /nfs/dbraw/zinc/24/77/83/554247783.db2.gz RVVSNJAVDNZILZ-YIXXDRMTSA-N 0 0 524.712 3.902 50 0 KHAARN CC[C@@H]1S[C@H](c2ccccc2C)N(CCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)C1=O ZINC000037436429 554248158 /nfs/dbraw/zinc/24/81/58/554248158.db2.gz RVVSNJAVDNZILZ-WNCULLNHSA-N 0 0 524.712 3.902 50 0 KHAARN COc1ccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccc(C(=O)NCc3ccccn3)o2)cc1OC ZINC000037436546 554248197 /nfs/dbraw/zinc/24/81/97/554248197.db2.gz WZLBVAABPKSBIO-WCTVFOPTSA-N 0 0 506.584 3.891 50 0 KHAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NC[C@@H]3CCCO3)o1)C(=O)CO2 ZINC000037510326 554248942 /nfs/dbraw/zinc/24/89/42/554248942.db2.gz ZEDAUCOTOAVJOG-SFHVURJKSA-N 0 0 508.502 3.515 50 0 KHAARN O=C(COc1ccccc1F)c1ccc2c(c1)N(Cc1ccc(C(=O)NC[C@H]3CCCO3)o1)C(=O)CO2 ZINC000037510329 554248898 /nfs/dbraw/zinc/24/88/98/554248898.db2.gz ZEDAUCOTOAVJOG-GOSISDBHSA-N 0 0 508.502 3.515 50 0 KHAARN CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5cccc(C)c5)cc43)o2)CC1 ZINC000037510586 554248849 /nfs/dbraw/zinc/24/88/49/554248849.db2.gz RJJACWVPKHMGJP-UHFFFAOYSA-N 0 0 517.582 3.553 50 0 KHAARN CCc1ccccc1OCC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCOCC3)o1)C(=O)CO2 ZINC000037510684 554248937 /nfs/dbraw/zinc/24/89/37/554248937.db2.gz BNDUNOBROROIDR-UHFFFAOYSA-N 0 0 504.539 3.502 50 0 KHAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCN(CC)CC4)o2)C(=O)CO3)c1 ZINC000037510822 554248874 /nfs/dbraw/zinc/24/88/74/554248874.db2.gz JCQQNYSTQWQLME-UHFFFAOYSA-N 0 0 531.609 3.807 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@@H]4CCCO4)o2)C(=O)CO3)cc1 ZINC000037510945 554248860 /nfs/dbraw/zinc/24/88/60/554248860.db2.gz XRBDVMQFASQESF-NRFANRHFSA-N 0 0 504.539 3.684 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@H]4CCCO4)o2)C(=O)CO3)cc1 ZINC000037510946 554248971 /nfs/dbraw/zinc/24/89/71/554248971.db2.gz XRBDVMQFASQESF-OAQYLSRUSA-N 0 0 504.539 3.684 50 0 KHAARN O=C(COc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CCOCC3)o1)C(=O)CO2 ZINC000037510951 554249261 /nfs/dbraw/zinc/24/92/61/554249261.db2.gz IWQMNYVLTJXWDF-UHFFFAOYSA-N 0 0 510.930 3.593 50 0 KHAARN COCCCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4)cc32)o1 ZINC000037510952 554249307 /nfs/dbraw/zinc/24/93/07/554249307.db2.gz IWAXPIQLKCOQEV-UHFFFAOYSA-N 0 0 512.946 3.887 50 0 KHAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)N4CCOCC4)o2)C(=O)CO3)c1 ZINC000037510975 554249244 /nfs/dbraw/zinc/24/92/44/554249244.db2.gz DUXABPVNRSFVLT-UHFFFAOYSA-N 0 0 504.539 3.502 50 0 KHAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@@H]4CCCO4)o2)C(=O)CO3)c1 ZINC000037511216 554249221 /nfs/dbraw/zinc/24/92/21/554249221.db2.gz UMLUNCCWWPRGLE-NRFANRHFSA-N 0 0 504.539 3.684 50 0 KHAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@H]4CCCO4)o2)C(=O)CO3)c1 ZINC000037511217 554249248 /nfs/dbraw/zinc/24/92/48/554249248.db2.gz UMLUNCCWWPRGLE-OAQYLSRUSA-N 0 0 504.539 3.684 50 0 KHAARN CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(C)cc5)cc43)o2)CC1 ZINC000037511241 554249298 /nfs/dbraw/zinc/24/92/98/554249298.db2.gz YQUOLJRQKLCWHE-UHFFFAOYSA-N 0 0 517.582 3.553 50 0 KHAARN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NC[C@@H]3CCCO3)o1)C(=O)CO2 ZINC000037511254 554249184 /nfs/dbraw/zinc/24/91/84/554249184.db2.gz YTPQBTJHYNQQKU-FQEVSTJZSA-N 0 0 508.502 3.515 50 0 KHAARN O=C(COc1ccc(F)cc1)c1ccc2c(c1)N(Cc1ccc(C(=O)NC[C@H]3CCCO3)o1)C(=O)CO2 ZINC000037511255 554249219 /nfs/dbraw/zinc/24/92/19/554249219.db2.gz YTPQBTJHYNQQKU-HXUWFJFHSA-N 0 0 508.502 3.515 50 0 KHAARN CCN1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccccc5C)cc43)o2)CC1 ZINC000037511261 554249210 /nfs/dbraw/zinc/24/92/10/554249210.db2.gz WYDKKLSBCHSUMC-UHFFFAOYSA-N 0 0 517.582 3.553 50 0 KHAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@@H]4CCCO4)o2)C(=O)CO3)c1 ZINC000037511274 554249499 /nfs/dbraw/zinc/24/94/99/554249499.db2.gz BFOLXDSMIYZLNW-QFIPXVFZSA-N 0 0 518.566 3.938 50 0 KHAARN CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NC[C@H]4CCCO4)o2)C(=O)CO3)c1 ZINC000037511275 554249484 /nfs/dbraw/zinc/24/94/84/554249484.db2.gz BFOLXDSMIYZLNW-JOCHJYFZSA-N 0 0 518.566 3.938 50 0 KHAARN Cc1cccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCc2ccc4c(c2)OCO4)C(=O)CO3)c1 ZINC000037512109 554249650 /nfs/dbraw/zinc/24/96/50/554249650.db2.gz BQVXZEJBBAEIKL-UHFFFAOYSA-N 0 0 516.550 3.807 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC[C@@H]2CCCO2)C(=O)CO3)c(Cl)c1 ZINC000037512137 554249599 /nfs/dbraw/zinc/24/95/99/554249599.db2.gz CNPLJNQBVZNURC-IBGZPJMESA-N 0 0 500.979 3.711 50 0 KHAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC[C@H]2CCCO2)C(=O)CO3)c(Cl)c1 ZINC000037512138 554249560 /nfs/dbraw/zinc/24/95/60/554249560.db2.gz CNPLJNQBVZNURC-LJQANCHMSA-N 0 0 500.979 3.711 50 0 KHAARN Cc1cc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC[C@@H]2CCCO2)C(=O)CO3)ccc1Cl ZINC000037512955 554249831 /nfs/dbraw/zinc/24/98/31/554249831.db2.gz LFZILQQXYXUIGH-FQEVSTJZSA-N 0 0 500.979 3.711 50 0 KHAARN Cc1cc(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NC[C@H]2CCCO2)C(=O)CO3)ccc1Cl ZINC000037512956 554249751 /nfs/dbraw/zinc/24/97/51/554249751.db2.gz LFZILQQXYXUIGH-HXUWFJFHSA-N 0 0 500.979 3.711 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(C(C)C)c4)cc32)C1 ZINC000037519513 554249732 /nfs/dbraw/zinc/24/97/32/554249732.db2.gz ZLOXRUPMDGKBAD-JOCHJYFZSA-N 0 0 522.598 3.599 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(C(C)C)c4)cc32)C1 ZINC000037519514 554249763 /nfs/dbraw/zinc/24/97/63/554249763.db2.gz ZLOXRUPMDGKBAD-QFIPXVFZSA-N 0 0 522.598 3.599 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCCN2C(=O)COc3ccc(C(=O)COc4ccccc4C)cc32)CC1 ZINC000037519720 554250214 /nfs/dbraw/zinc/25/02/14/554250214.db2.gz ZPXTUHMZDGFDAM-UHFFFAOYSA-N 0 0 522.598 3.564 50 0 KHAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037524993 554250289 /nfs/dbraw/zinc/25/02/89/554250289.db2.gz DKLATIJFBWJWQG-UHFFFAOYSA-N 0 0 511.619 3.754 50 0 KHAARN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3ccccn3)CC2)CC1)c1ccc(F)cc1F ZINC000037525224 554250528 /nfs/dbraw/zinc/25/05/28/554250528.db2.gz AKIJGIOUMQIXIY-UHFFFAOYSA-N 0 0 505.569 3.721 50 0 KHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037525417 554250633 /nfs/dbraw/zinc/25/06/33/554250633.db2.gz VGPUYHKAVHMPMS-UHFFFAOYSA-N 0 0 507.656 3.923 50 0 KHAARN COc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC ZINC000037525680 554250608 /nfs/dbraw/zinc/25/06/08/554250608.db2.gz UKDKEZKTTQHKAK-UHFFFAOYSA-N 0 0 523.655 3.624 50 0 KHAARN COc1ccccc1CCNC(=O)c1ccccc1N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000037526329 554250818 /nfs/dbraw/zinc/25/08/18/554250818.db2.gz ATXRIXZEFFOWPI-UHFFFAOYSA-N 0 0 507.656 3.923 50 0 KHAARN COc1cc(Cn2c(C(=O)N3CCN(C(C)=O)CC3)cc3scc(Br)c32)cc(OC)c1 ZINC000037543406 554251145 /nfs/dbraw/zinc/25/11/45/554251145.db2.gz BCSWPTSVHVGIDZ-UHFFFAOYSA-N 0 0 506.422 3.835 50 0 KHAARN COc1cc(Cn2c(C(=O)NCCN3CCOCC3)cc3scc(Br)c32)cc(OC)c1 ZINC000037543658 554251138 /nfs/dbraw/zinc/25/11/38/554251138.db2.gz IGORMCGHIYYQDG-UHFFFAOYSA-N 0 0 508.438 3.593 50 0 KHAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1F ZINC000037574139 554251939 /nfs/dbraw/zinc/25/19/39/554251939.db2.gz XXMOLUIWGCOJDI-UHFFFAOYSA-N 0 0 515.467 3.921 50 0 KHAARN CC[C@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000037574151 554251970 /nfs/dbraw/zinc/25/19/70/554251970.db2.gz QZDJBKCHISFNTC-FQEVSTJZSA-N 0 0 507.541 3.922 50 0 KHAARN CC[C@@H](C(=O)N1CCC(NC(=O)c2nccnc2NC(=O)c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000037574154 554251948 /nfs/dbraw/zinc/25/19/48/554251948.db2.gz QZDJBKCHISFNTC-HXUWFJFHSA-N 0 0 507.541 3.922 50 0 KHAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(F)c1 ZINC000037574835 554251942 /nfs/dbraw/zinc/25/19/42/554251942.db2.gz IHRMOHANERPWRC-UHFFFAOYSA-N 0 0 515.467 3.921 50 0 KHAARN CCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000037575826 554251918 /nfs/dbraw/zinc/25/19/18/554251918.db2.gz UGENXNOITOQXFB-UHFFFAOYSA-N 0 0 505.594 3.579 50 0 KHAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1F ZINC000037576044 554252192 /nfs/dbraw/zinc/25/21/92/554252192.db2.gz DGEVAGKVPWPZJV-UHFFFAOYSA-N 0 0 515.467 3.921 50 0 KHAARN CC(C)C[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1ccc(F)cc1 ZINC000037577639 554252525 /nfs/dbraw/zinc/25/25/25/554252525.db2.gz SZXSCTHJDAULSG-QHCPKHFHSA-N 0 0 505.594 3.529 50 0 KHAARN CC(C)C[C@@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NCc1ccc(F)cc1 ZINC000037577642 554252478 /nfs/dbraw/zinc/25/24/78/554252478.db2.gz SZXSCTHJDAULSG-HSZRJFAPSA-N 0 0 505.594 3.529 50 0 KHAARN CC(C)CN(CCC(=O)NCCc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037577856 554252502 /nfs/dbraw/zinc/25/25/02/554252502.db2.gz NSRHIEVADKOCLK-UHFFFAOYSA-N 0 0 515.658 3.776 50 0 KHAARN CCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578239 554252804 /nfs/dbraw/zinc/25/28/04/554252804.db2.gz NLUSCEVNZSSVQT-UHFFFAOYSA-N 0 0 501.631 3.748 50 0 KHAARN CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037578293 554252825 /nfs/dbraw/zinc/25/28/25/554252825.db2.gz IVAAQDDOQWXKLJ-UHFFFAOYSA-N 0 0 505.594 3.545 50 0 KHAARN CCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037578304 554252795 /nfs/dbraw/zinc/25/27/95/554252795.db2.gz QPGKPASWSVCLOI-UHFFFAOYSA-N 0 0 501.631 3.748 50 0 KHAARN CCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037578399 554252774 /nfs/dbraw/zinc/25/27/74/554252774.db2.gz LQKZXLHTVJGOQQ-UHFFFAOYSA-N 0 0 501.631 3.748 50 0 KHAARN CCN(CCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578573 554252741 /nfs/dbraw/zinc/25/27/41/554252741.db2.gz KAKNPXGSEIPCGM-UHFFFAOYSA-N 0 0 503.603 3.737 50 0 KHAARN CCN(CCC(=O)N[C@@H](C)c1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578575 554252749 /nfs/dbraw/zinc/25/27/49/554252749.db2.gz XABOXSMXEJUJOK-QFIPXVFZSA-N 0 0 501.631 3.967 50 0 KHAARN CCN(CCC(=O)N[C@H](C)c1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O ZINC000037578578 554252798 /nfs/dbraw/zinc/25/27/98/554252798.db2.gz XABOXSMXEJUJOK-JOCHJYFZSA-N 0 0 501.631 3.967 50 0 KHAARN CCN(CCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1C)C2=O ZINC000037578643 554252806 /nfs/dbraw/zinc/25/28/06/554252806.db2.gz PPNJTHSBTAQFBO-UHFFFAOYSA-N 0 0 503.603 3.737 50 0 KHAARN CCN(CCC(=O)Nc1ccc(OC)cc1)C(=O)c1cc2n(n1)CCCN(Cc1ccc(C)cc1)C2=O ZINC000037579105 554252792 /nfs/dbraw/zinc/25/27/92/554252792.db2.gz BKXLNNXNELJNGM-UHFFFAOYSA-N 0 0 503.603 3.737 50 0 KHAARN Cc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000037580612 554252976 /nfs/dbraw/zinc/25/29/76/554252976.db2.gz XTMGPFXAIHFESF-UHFFFAOYSA-N 0 0 501.008 3.814 50 0 KHAARN O=S(=O)(c1cccc(Cl)c1)N1CCc2nc(N3CCOCC3)nc(Oc3ccc(F)cc3)c2C1 ZINC000037580614 554252981 /nfs/dbraw/zinc/25/29/81/554252981.db2.gz MVSRZROQLFHFCV-UHFFFAOYSA-N 0 0 504.971 3.645 50 0 KHAARN CC(=O)N1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(C)=O)CC4)o2)CC1 ZINC000037606741 554257601 /nfs/dbraw/zinc/25/76/01/554257601.db2.gz XGEVIXSWAWKGJM-NDEPHWFRSA-N 0 0 501.583 3.657 50 0 KHAARN CC(=O)N1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(C(C)=O)CC4)o2)CC1 ZINC000037606744 554257535 /nfs/dbraw/zinc/25/75/35/554257535.db2.gz XGEVIXSWAWKGJM-MUUNZHRXSA-N 0 0 501.583 3.657 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000037608007 554257906 /nfs/dbraw/zinc/25/79/06/554257906.db2.gz JETHMHOROYLLAQ-QFIPXVFZSA-N 0 0 535.037 3.770 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000037608010 554257917 /nfs/dbraw/zinc/25/79/17/554257917.db2.gz JETHMHOROYLLAQ-JOCHJYFZSA-N 0 0 535.037 3.770 50 0 KHAARN COCCN(C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037609150 554258251 /nfs/dbraw/zinc/25/82/51/554258251.db2.gz JZPYXUJAZMTNEW-NRFANRHFSA-N 0 0 514.928 3.754 50 0 KHAARN COCCN(C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000037609153 554258278 /nfs/dbraw/zinc/25/82/78/554258278.db2.gz JZPYXUJAZMTNEW-OAQYLSRUSA-N 0 0 514.928 3.754 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)cc(OC)c1OC ZINC000037610978 554258559 /nfs/dbraw/zinc/25/85/59/554258559.db2.gz ILRGBJULCQEHMI-IBGZPJMESA-N 0 0 506.546 3.630 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)cc(OC)c1OC ZINC000037610981 554258405 /nfs/dbraw/zinc/25/84/05/554258405.db2.gz ILRGBJULCQEHMI-LJQANCHMSA-N 0 0 506.546 3.630 50 0 KHAARN COCCN(C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000037611033 554258431 /nfs/dbraw/zinc/25/84/31/554258431.db2.gz OSVHWKOAXBOSGM-NRFANRHFSA-N 0 0 514.928 3.754 50 0 KHAARN COCCN(C[C@H]1CN(C(=O)COc2ccc(Cl)cc2)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000037611035 554258389 /nfs/dbraw/zinc/25/83/89/554258389.db2.gz OSVHWKOAXBOSGM-OAQYLSRUSA-N 0 0 514.928 3.754 50 0 KHAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613876 554258596 /nfs/dbraw/zinc/25/85/96/554258596.db2.gz BZSPUFDTGNJYHF-HHHXNRCGSA-N 0 0 522.045 3.948 50 0 KHAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613877 554258465 /nfs/dbraw/zinc/25/84/65/554258465.db2.gz BZSPUFDTGNJYHF-MHZLTWQESA-N 0 0 522.045 3.948 50 0 KHAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c4ccccc4[nH]c3c2=O)cc1OC ZINC000038139079 554258957 /nfs/dbraw/zinc/25/89/57/554258957.db2.gz QNWMLHGHCUYXEW-UHFFFAOYSA-N 0 0 529.578 3.714 50 0 KHAARN Nc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c(=O)c1NC(=O)c1ccc(Br)o1 ZINC000038139083 554258866 /nfs/dbraw/zinc/25/88/66/554258866.db2.gz LYNZOBOFEZWWII-UHFFFAOYSA-N 0 0 548.297 3.589 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000038139196 1066839951 /nfs/dbraw/zinc/83/99/51/1066839951.db2.gz QZOWMXXAMGZEHR-UHFFFAOYSA-N 0 0 553.015 3.801 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1 ZINC000038139248 554259864 /nfs/dbraw/zinc/25/98/64/554259864.db2.gz DTUXVZHNFNPFGS-UHFFFAOYSA-N 0 0 552.510 3.581 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000038139288 554259909 /nfs/dbraw/zinc/25/99/09/554259909.db2.gz IXWJHVVKQKWIMB-UHFFFAOYSA-N 0 0 550.655 3.559 50 0 KHAARN COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)cc1Cl ZINC000038139303 554259941 /nfs/dbraw/zinc/25/99/41/554259941.db2.gz GQJUJYHPFREJRC-OAHLLOKOSA-N 0 0 536.050 3.694 50 0 KHAARN COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)cc1Cl ZINC000038139304 554259933 /nfs/dbraw/zinc/25/99/33/554259933.db2.gz GQJUJYHPFREJRC-HNNXBMFYSA-N 0 0 536.050 3.694 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)CC3)cc2C[C@@H]1C ZINC000038139312 554260083 /nfs/dbraw/zinc/26/00/83/554260083.db2.gz VYRXOVQXJLMDJC-FQEVSTJZSA-N 0 0 559.132 3.695 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)CC3)cc2C[C@H]1C ZINC000038139314 554260137 /nfs/dbraw/zinc/26/01/37/554260137.db2.gz VYRXOVQXJLMDJC-HXUWFJFHSA-N 0 0 559.132 3.695 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)CC3)cc2C[C@H]1C ZINC000038139320 554260188 /nfs/dbraw/zinc/26/01/88/554260188.db2.gz JJTNMFNLFROQIK-LJQANCHMSA-N 0 0 578.657 3.752 50 0 KHAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)CC3)cc2C[C@@H]1C ZINC000038139321 554260093 /nfs/dbraw/zinc/26/00/93/554260093.db2.gz JJTNMFNLFROQIK-IBGZPJMESA-N 0 0 578.657 3.752 50 0 KHAARN CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(C(C)(C)C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038139369 554260144 /nfs/dbraw/zinc/26/01/44/554260144.db2.gz JQWQCOLMXIWVIB-UHFFFAOYSA-N 0 0 542.677 3.946 50 0 KHAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000038139387 554260156 /nfs/dbraw/zinc/26/01/56/554260156.db2.gz ZGCCMGXJWZFWMT-UHFFFAOYSA-N 0 0 541.073 3.557 50 0 KHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000038139400 554260457 /nfs/dbraw/zinc/26/04/57/554260457.db2.gz HPEPXRUMTGVIPA-UHFFFAOYSA-N 0 0 541.073 3.557 50 0 KHAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1=O ZINC000038139405 554260396 /nfs/dbraw/zinc/26/03/96/554260396.db2.gz UDITUFBIHYKING-RTBURBONSA-N 0 0 548.503 3.849 50 0 KHAARN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1=O ZINC000038139406 554260346 /nfs/dbraw/zinc/26/03/46/554260346.db2.gz UDITUFBIHYKING-RBUKOAKNSA-N 0 0 548.503 3.849 50 0 KHAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1=O ZINC000038139407 554260433 /nfs/dbraw/zinc/26/04/33/554260433.db2.gz UDITUFBIHYKING-MOPGFXCFSA-N 0 0 548.503 3.849 50 0 KHAARN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)CC1=O ZINC000038139408 554260477 /nfs/dbraw/zinc/26/04/77/554260477.db2.gz UDITUFBIHYKING-OALUTQOASA-N 0 0 548.503 3.849 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000038139421 554260423 /nfs/dbraw/zinc/26/04/23/554260423.db2.gz CAYQONZLKHIQQX-IBGZPJMESA-N 0 0 534.638 3.886 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000038139422 554260440 /nfs/dbraw/zinc/26/04/40/554260440.db2.gz CAYQONZLKHIQQX-LJQANCHMSA-N 0 0 534.638 3.886 50 0 KHAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000038139427 554260383 /nfs/dbraw/zinc/26/03/83/554260383.db2.gz DIDPLGGSALSXIW-UHFFFAOYSA-N 0 0 534.682 3.521 50 0 KHAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000038139430 554260464 /nfs/dbraw/zinc/26/04/64/554260464.db2.gz QFFYPBXJLCDFDY-UHFFFAOYSA-N 0 0 542.608 3.577 50 0 KHAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000038139437 554260645 /nfs/dbraw/zinc/26/06/45/554260645.db2.gz IAVHNDHFDUUVAT-UHFFFAOYSA-N 0 0 534.682 3.927 50 0 KHAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000038139438 554260643 /nfs/dbraw/zinc/26/06/43/554260643.db2.gz HMULWJWFOMUDHV-UHFFFAOYSA-N 0 0 534.682 3.997 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000038139439 554260641 /nfs/dbraw/zinc/26/06/41/554260641.db2.gz ACUVEUAIXPFXJW-UHFFFAOYSA-N 0 0 538.464 3.733 50 0 KHAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000038139516 554260633 /nfs/dbraw/zinc/26/06/33/554260633.db2.gz ZMYFKGXZLCRHJH-UHFFFAOYSA-N 0 0 545.036 3.701 50 0 KHAARN CCCCN(C(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038139527 554260850 /nfs/dbraw/zinc/26/08/50/554260850.db2.gz KXNWEMVVYMPYPP-UHFFFAOYSA-N 0 0 538.696 3.960 50 0 KHAARN COCCCN(C(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139534 554260809 /nfs/dbraw/zinc/26/08/09/554260809.db2.gz UGTHFGXFOQUIJM-UHFFFAOYSA-N 0 0 540.045 3.556 50 0 KHAARN Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000038139607 554260840 /nfs/dbraw/zinc/26/08/40/554260840.db2.gz ADFZCEFZNPEPIN-UHFFFAOYSA-N 0 0 546.436 3.917 50 0 KHAARN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000038139735 554261163 /nfs/dbraw/zinc/26/11/63/554261163.db2.gz IQWYPFVOLOQWGK-UHFFFAOYSA-N 0 0 532.416 3.969 50 0 KHAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCN4CCOCC4)C(=O)N32)cc1 ZINC000038140001 554262280 /nfs/dbraw/zinc/26/22/80/554262280.db2.gz TYNNXAMDNHTMLY-MFMCTBQISA-N 0 0 579.657 3.721 50 0 biogenic KHAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCCN4CCOCC4)C(=O)N32)cc1 ZINC000038140003 554262208 /nfs/dbraw/zinc/26/22/08/554262208.db2.gz TYNNXAMDNHTMLY-JDXGNMNLSA-N 0 0 579.657 3.721 50 0 biogenic KHAARN O=C(NCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=O ZINC000038140009 554262519 /nfs/dbraw/zinc/26/25/19/554262519.db2.gz QAUFEYITPFCZGA-LMSSTIIKSA-N 0 0 549.631 3.713 50 0 biogenic KHAARN O=C(NCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=O ZINC000038140011 554262513 /nfs/dbraw/zinc/26/25/13/554262513.db2.gz QAUFEYITPFCZGA-YTMVLYRLSA-N 0 0 549.631 3.713 50 0 biogenic KHAARN O=C(NCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(F)cc3)N2C1=O ZINC000038140018 554262482 /nfs/dbraw/zinc/26/24/82/554262482.db2.gz DMSRUJBXNPIECM-YTMVLYRLSA-N 0 0 567.621 3.852 50 0 biogenic KHAARN O=C(NCCN1CCOCC1)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(F)cc3)N2C1=O ZINC000038140019 554262534 /nfs/dbraw/zinc/26/25/34/554262534.db2.gz DMSRUJBXNPIECM-LMSSTIIKSA-N 0 0 567.621 3.852 50 0 biogenic KHAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)c4ccccc4Br)CC3)cc2=O)s1 ZINC000038140271 554262845 /nfs/dbraw/zinc/26/28/45/554262845.db2.gz GNMXYNLJEMJYKM-UHFFFAOYSA-N 0 0 524.444 3.847 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccccc5Br)CC4)cc3=O)s2)c1 ZINC000038140272 554262871 /nfs/dbraw/zinc/26/28/71/554262871.db2.gz RHJWNKFSPIGTBI-UHFFFAOYSA-N 0 0 524.444 3.847 50 0 KHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000038140317 554263082 /nfs/dbraw/zinc/26/30/82/554263082.db2.gz USMYBVKXTLANNK-IBGZPJMESA-N 0 0 532.515 3.645 50 0 KHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000038140318 554263117 /nfs/dbraw/zinc/26/31/17/554263117.db2.gz USMYBVKXTLANNK-LJQANCHMSA-N 0 0 532.515 3.645 50 0 KHAARN CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000038140324 554263048 /nfs/dbraw/zinc/26/30/48/554263048.db2.gz SVFHXBCOOJTBQU-KPKJPENVSA-N 0 0 534.629 3.866 50 0 KHAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCCCCC3)ccc1OCC(F)(F)F)CS2 ZINC000038140429 554263297 /nfs/dbraw/zinc/26/32/97/554263297.db2.gz SKNRTCJNBODPHZ-LAUBAEHRSA-N 0 0 535.610 3.585 50 0 KHAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCCCCC3)ccc1OCC(F)(F)F)CS2 ZINC000038140430 554263619 /nfs/dbraw/zinc/26/36/19/554263619.db2.gz SKNRTCJNBODPHZ-UWJYYQICSA-N 0 0 535.610 3.585 50 0 KHAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCCCCC3)ccc1OCC(F)(F)F)CS2 ZINC000038140431 554263665 /nfs/dbraw/zinc/26/36/65/554263665.db2.gz SKNRTCJNBODPHZ-DYESRHJHSA-N 0 0 535.610 3.585 50 0 KHAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCCCCC3)ccc1OCC(F)(F)F)CS2 ZINC000038140432 554263592 /nfs/dbraw/zinc/26/35/92/554263592.db2.gz SKNRTCJNBODPHZ-UTKZUKDTSA-N 0 0 535.610 3.585 50 0 KHAARN CN(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000038140463 554263991 /nfs/dbraw/zinc/26/39/91/554263991.db2.gz KXWOBFRFFDZLEY-UHFFFAOYSA-N 0 0 532.968 3.961 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1 ZINC000038140764 554264141 /nfs/dbraw/zinc/26/41/41/554264141.db2.gz KEGFBNVVYCBHPP-MHZLTWQESA-N 0 0 539.654 3.698 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)c2)cc1 ZINC000038140765 554264184 /nfs/dbraw/zinc/26/41/84/554264184.db2.gz KEGFBNVVYCBHPP-HHHXNRCGSA-N 0 0 539.654 3.698 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)cc2)cc1 ZINC000038140784 554264147 /nfs/dbraw/zinc/26/41/47/554264147.db2.gz YECBZFDEAJOIFH-MHZLTWQESA-N 0 0 539.654 3.698 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)cc2)cc1 ZINC000038140785 554264145 /nfs/dbraw/zinc/26/41/45/554264145.db2.gz YECBZFDEAJOIFH-HHHXNRCGSA-N 0 0 539.654 3.698 50 0 KHAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000038140786 554264168 /nfs/dbraw/zinc/26/41/68/554264168.db2.gz PWZRIMRIUQFEAW-UHFFFAOYSA-N 0 0 537.425 3.869 50 0 KHAARN COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000038140788 554264182 /nfs/dbraw/zinc/26/41/82/554264182.db2.gz NRGBQIKNCSUWPE-UHFFFAOYSA-N 0 0 548.665 3.598 50 0 KHAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000038140790 554264435 /nfs/dbraw/zinc/26/44/35/554264435.db2.gz QJECGTSVNHFPFB-UHFFFAOYSA-N 0 0 538.645 3.664 50 0 KHAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000038140809 554264439 /nfs/dbraw/zinc/26/44/39/554264439.db2.gz LDAMGCWMEKLYJO-UHFFFAOYSA-N 0 0 545.992 3.836 50 0 KHAARN C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]2OC(C)(C)O[C@@H]21 ZINC000038144849 554266102 /nfs/dbraw/zinc/26/61/02/554266102.db2.gz FDZGGUZEWBKPAY-RKHJWFQGSA-N 0 0 574.711 3.578 50 0 biogenic KHAARN C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H]2OC(C)(C)O[C@H]21 ZINC000038144851 554266128 /nfs/dbraw/zinc/26/61/28/554266128.db2.gz FDZGGUZEWBKPAY-GQQQMTRCSA-N 0 0 574.711 3.578 50 0 biogenic KHAARN C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H]2OC(C)(C)O[C@@H]21 ZINC000038144853 554266121 /nfs/dbraw/zinc/26/61/21/554266121.db2.gz FDZGGUZEWBKPAY-AMXADLCFSA-N 0 0 574.711 3.578 50 0 biogenic KHAARN C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H]2OC(C)(C)O[C@H]21 ZINC000038144855 554266166 /nfs/dbraw/zinc/26/61/66/554266166.db2.gz FDZGGUZEWBKPAY-ISEIVWAPSA-N 0 0 574.711 3.578 50 0 biogenic KHAARN COc1ccc(CCN2C[C@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1OC ZINC000038145828 554268088 /nfs/dbraw/zinc/26/80/88/554268088.db2.gz SZPJMAFXAYATIJ-MRXNPFEDSA-N 0 0 541.954 3.864 50 0 KHAARN COc1ccc(CCN2C[C@@H](C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)cc1OC ZINC000038145830 554268118 /nfs/dbraw/zinc/26/81/18/554268118.db2.gz SZPJMAFXAYATIJ-INIZCTEOSA-N 0 0 541.954 3.864 50 0 KHAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000038145835 554268304 /nfs/dbraw/zinc/26/83/04/554268304.db2.gz QDPZHRGBZKETHJ-UHFFFAOYSA-N 0 0 545.036 3.701 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000038145839 554268266 /nfs/dbraw/zinc/26/82/66/554268266.db2.gz NNOZJUWLDZSXEC-HNNXBMFYSA-N 0 0 541.548 3.635 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000038145840 554268195 /nfs/dbraw/zinc/26/81/95/554268195.db2.gz NNOZJUWLDZSXEC-OAHLLOKOSA-N 0 0 541.548 3.635 50 0 KHAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)C1=O ZINC000038145866 554268312 /nfs/dbraw/zinc/26/83/12/554268312.db2.gz LWVCCCGMMSAIPB-VWLOTQADSA-N 0 0 528.487 3.733 50 0 KHAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)C1=O ZINC000038145868 554268233 /nfs/dbraw/zinc/26/82/33/554268233.db2.gz LWVCCCGMMSAIPB-RUZDIDTESA-N 0 0 528.487 3.733 50 0 KHAARN CC(C)CN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038145893 554268536 /nfs/dbraw/zinc/26/85/36/554268536.db2.gz NJYRVQKWCNZOPF-PKNBQFBNSA-N 0 0 545.423 3.720 50 0 KHAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000038146213 554269509 /nfs/dbraw/zinc/26/95/09/554269509.db2.gz ZIOBIMXRJTUPLD-UHFFFAOYSA-N 0 0 542.455 3.625 50 0 aggregator KHAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4ccc(S(=O)(=O)N(CC)CC)cc4)c3C2=O)CC1 ZINC000038146787 554269819 /nfs/dbraw/zinc/26/98/19/554269819.db2.gz HDZVIRPSAGSQDY-UHFFFAOYSA-N 0 0 542.658 3.546 50 0 KHAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC ZINC000038148307 554270543 /nfs/dbraw/zinc/27/05/43/554270543.db2.gz GKAXKJARGIMXPP-UHFFFAOYSA-N 0 0 526.493 3.775 50 0 KHAARN O=C(NCC1N=NC(=S)N1c1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000038148313 554270585 /nfs/dbraw/zinc/27/05/85/554270585.db2.gz WXMFIVAEIZGMFW-UHFFFAOYSA-N 0 0 526.471 3.967 50 0 KHAARN O=C(NCC1N=NC(=S)N1c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000038148315 554270531 /nfs/dbraw/zinc/27/05/31/554270531.db2.gz QMTKDDOSLACHAQ-UHFFFAOYSA-N 0 0 525.578 3.679 50 0 KHAARN COc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000038148316 554270571 /nfs/dbraw/zinc/27/05/71/554270571.db2.gz IFNBRCRAAZDCRM-UHFFFAOYSA-N 0 0 550.637 3.644 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000038150066 554271269 /nfs/dbraw/zinc/27/12/69/554271269.db2.gz CBVISMKUQOMHMG-QPPBQGQZSA-N 0 0 587.652 3.778 50 0 KHAARN O=C(CCN1CCOCC1)Nc1cc(C(=O)Nc2ccccc2F)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038150067 554271226 /nfs/dbraw/zinc/27/12/26/554271226.db2.gz QXQZAFOHSWCFPF-GGAORHGYSA-N 0 0 559.642 3.524 50 0 KHAARN CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)CCN3CCOCC3)c2)cc1 ZINC000038150073 554271255 /nfs/dbraw/zinc/27/12/55/554271255.db2.gz AFIIZPQSUHPHLG-NOZRDPDXSA-N 0 0 585.705 3.784 50 0 KHAARN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000038151092 554271816 /nfs/dbraw/zinc/27/18/16/554271816.db2.gz BHLPWXUVEDLOMI-UHFFFAOYSA-N 0 0 532.972 3.652 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC ZINC000038152203 554271993 /nfs/dbraw/zinc/27/19/93/554271993.db2.gz UGNMAIRMCKRVNL-UHFFFAOYSA-N 0 0 528.565 3.551 50 0 KHAARN COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000038152214 554272315 /nfs/dbraw/zinc/27/23/15/554272315.db2.gz RHZUUBXOYXYENX-RUZDIDTESA-N 0 0 530.046 3.953 50 0 KHAARN COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000038152215 554272264 /nfs/dbraw/zinc/27/22/64/554272264.db2.gz RHZUUBXOYXYENX-VWLOTQADSA-N 0 0 530.046 3.953 50 0 KHAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1OCC ZINC000038152223 554272368 /nfs/dbraw/zinc/27/23/68/554272368.db2.gz FHSRPPAXZJYXGF-UHFFFAOYSA-N 0 0 547.674 3.768 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)C[C@H](C)O1 ZINC000038152233 554272378 /nfs/dbraw/zinc/27/23/78/554272378.db2.gz VGAZGRVPBABOQQ-CALCHBBNSA-N 0 0 531.034 3.993 50 0 KHAARN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)C[C@H](C)O1 ZINC000038152234 554272373 /nfs/dbraw/zinc/27/23/73/554272373.db2.gz VGAZGRVPBABOQQ-IRXDYDNUSA-N 0 0 531.034 3.993 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)C[C@@H](C)O1 ZINC000038152235 554272249 /nfs/dbraw/zinc/27/22/49/554272249.db2.gz VGAZGRVPBABOQQ-IAGOWNOFSA-N 0 0 531.034 3.993 50 0 KHAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000038152354 554272560 /nfs/dbraw/zinc/27/25/60/554272560.db2.gz GVLFIWKZCGDFTO-UHFFFAOYSA-N 0 0 546.049 3.880 50 0 KHAARN COc1cc(C(C)=O)ccc1OCC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152763 554272746 /nfs/dbraw/zinc/27/27/46/554272746.db2.gz JIXOANBPBCULDJ-UHFFFAOYSA-N 0 0 546.624 3.681 50 0 KHAARN CCCCCN(C(=O)CCC(=O)OCc1cccc(Br)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038152776 554273081 /nfs/dbraw/zinc/27/30/81/554273081.db2.gz VGPKZOKUURUSMK-UHFFFAOYSA-N 0 0 537.455 3.728 50 0 KHAARN Cc1c(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000038152799 554273084 /nfs/dbraw/zinc/27/30/84/554273084.db2.gz UPAGJRLZBSXYSZ-KRWDZBQOSA-N 0 0 539.441 3.501 50 0 KHAARN Cc1c(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000038152800 554273061 /nfs/dbraw/zinc/27/30/61/554273061.db2.gz UPAGJRLZBSXYSZ-QGZVFWFLSA-N 0 0 539.441 3.501 50 0 KHAARN O=C(c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000038154849 554273579 /nfs/dbraw/zinc/27/35/79/554273579.db2.gz CNGBQAJKFWONFX-UHFFFAOYSA-N 0 0 547.725 3.661 50 0 KHAARN O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCCCN1CCOCC1 ZINC000038154859 554273677 /nfs/dbraw/zinc/27/36/77/554273677.db2.gz PUQIYISPSMAAES-UHFFFAOYSA-N 0 0 598.729 3.580 50 0 KHAARN CCOc1c(I)cc(I)cc1C=C1SC(=O)NC1=O ZINC000038204170 554274343 /nfs/dbraw/zinc/27/43/43/554274343.db2.gz SUPWHOZYAWLXDB-WTKPLQERSA-N 0 0 501.083 3.618 50 0 KHAARN CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000038536856 554275119 /nfs/dbraw/zinc/27/51/19/554275119.db2.gz GDWWAKCDIOIZDZ-LJQANCHMSA-N 0 0 513.495 3.598 50 0 KHAARN CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000038536857 554275195 /nfs/dbraw/zinc/27/51/95/554275195.db2.gz GDWWAKCDIOIZDZ-IBGZPJMESA-N 0 0 513.495 3.598 50 0 KHAARN CC(C)C[C@H](NC(=O)c1cccs1)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000038536860 554275138 /nfs/dbraw/zinc/27/51/38/554275138.db2.gz DWNDHQHGEDTLTB-FQEVSTJZSA-N 0 0 512.705 3.835 50 0 KHAARN CC(C)C[C@@H](NC(=O)c1cccs1)c1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000038536861 554275209 /nfs/dbraw/zinc/27/52/09/554275209.db2.gz DWNDHQHGEDTLTB-HXUWFJFHSA-N 0 0 512.705 3.835 50 0 KHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638239 554275334 /nfs/dbraw/zinc/27/53/34/554275334.db2.gz CMMWNKYLAAOJPG-GJZUVCINSA-N 0 0 530.600 3.587 50 0 KHAARN O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638241 554275441 /nfs/dbraw/zinc/27/54/41/554275441.db2.gz CMMWNKYLAAOJPG-NVQXNPDNSA-N 0 0 530.600 3.587 50 0 KHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638244 554275474 /nfs/dbraw/zinc/27/54/74/554275474.db2.gz CMMWNKYLAAOJPG-ATIYNZHBSA-N 0 0 530.600 3.587 50 0 KHAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000038638246 554275379 /nfs/dbraw/zinc/27/53/79/554275379.db2.gz CMMWNKYLAAOJPG-BKMJKUGQSA-N 0 0 530.600 3.587 50 0 KHAARN COc1cc([C@@]23O[C@@H](c4cc5c(cc42)OCO5)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc(OC)c1OC ZINC000038741127 554275340 /nfs/dbraw/zinc/27/53/40/554275340.db2.gz WFSSHVDSUGLUHC-HXFQDRMMSA-N 0 0 501.491 3.575 50 0 KHAARN CC(=O)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000039262617 554278609 /nfs/dbraw/zinc/27/86/09/554278609.db2.gz GCZABPLTDYVJMP-TVQWTUMOSA-N 0 0 504.491 3.583 50 0 KHAARN CC(=O)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000039262619 1066190363 /nfs/dbraw/zinc/19/03/63/1066190363.db2.gz GCZABPLTDYVJMP-HXFQDRMMSA-N 0 0 504.491 3.583 50 0 KHAARN COc1ccc(CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@H]3CCOC(C)(C)C3)C4=O)C2)cc1OC ZINC000039357921 554279081 /nfs/dbraw/zinc/27/90/81/554279081.db2.gz BLDCAMMRNHFZKG-SFTDATJTSA-N 0 0 535.641 3.790 50 0 KHAARN CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCc5ccccc5F)C4)c3C2=O)CCO1 ZINC000039359963 554279085 /nfs/dbraw/zinc/27/90/85/554279085.db2.gz METGDJBUEGSLHG-LEWJYISDSA-N 0 0 507.606 3.955 50 0 KHAARN CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCc5ccccc5F)C4)c3C2=O)CCO1 ZINC000039359964 554278931 /nfs/dbraw/zinc/27/89/31/554278931.db2.gz METGDJBUEGSLHG-SFTDATJTSA-N 0 0 507.606 3.955 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000039404536 1066496733 /nfs/dbraw/zinc/49/67/33/1066496733.db2.gz GDXOUKRQNGEJPG-SANMLTNESA-N 0 0 505.596 3.708 50 0 KHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000039404537 1066496602 /nfs/dbraw/zinc/49/66/02/1066496602.db2.gz GDXOUKRQNGEJPG-AREMUKBSSA-N 0 0 505.596 3.708 50 0 KHAARN Cc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cncs3)c(N3CCC[C@H](O)C3)nc2c1 ZINC000039515430 1066858799 /nfs/dbraw/zinc/85/87/99/1066858799.db2.gz RMNIRSLEISKVDG-QFIPXVFZSA-N 0 0 507.660 3.616 50 0 KHAARN Cc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cncs3)c(N3CCC[C@@H](O)C3)nc2c1 ZINC000039515431 1066858982 /nfs/dbraw/zinc/85/89/82/1066858982.db2.gz RMNIRSLEISKVDG-JOCHJYFZSA-N 0 0 507.660 3.616 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000039950826 554281664 /nfs/dbraw/zinc/28/16/64/554281664.db2.gz MHYRXIQJRCPVSR-ANKKVJNISA-N 0 0 502.574 3.843 50 0 KHAARN O=S(=O)(CCSc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000039978301 554281582 /nfs/dbraw/zinc/28/15/82/554281582.db2.gz UNERBZDZASJNIC-UHFFFAOYSA-N 0 0 509.329 3.889 50 0 KHAARN COc1c2c(c(S(=O)(=O)N3CCC(c4nc5ccccc5s4)CC3)c3c1CN(C)CC3)OCO2 ZINC000040309218 554283213 /nfs/dbraw/zinc/28/32/13/554283213.db2.gz IRMQOCWIFBOWNO-UHFFFAOYSA-N 0 0 501.630 3.590 50 0 biogenic KHAARN CC(C)C(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000040399905 554284334 /nfs/dbraw/zinc/28/43/34/554284334.db2.gz FIDFAIQIBZDAHH-QHCPKHFHSA-N 0 0 503.596 3.953 50 0 KHAARN CC(C)C(=O)N(Cc1ccco1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000040399907 554284256 /nfs/dbraw/zinc/28/42/56/554284256.db2.gz FIDFAIQIBZDAHH-HSZRJFAPSA-N 0 0 503.596 3.953 50 0 KHAARN CC(=O)O[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000040448718 554284834 /nfs/dbraw/zinc/28/48/34/554284834.db2.gz GCZABPLTDYVJMP-MUCKBHKGSA-N 0 0 504.491 3.583 50 0 in-vitro KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)cc21 ZINC000040450233 554284969 /nfs/dbraw/zinc/28/49/69/554284969.db2.gz MIYDHXDPQYJBLD-UHFFFAOYSA-N 0 0 517.445 3.838 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450240 554285206 /nfs/dbraw/zinc/28/52/06/554285206.db2.gz NLPLOXBMOGZPSC-UHFFFAOYSA-N 0 0 515.813 3.823 50 0 KHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1Cl ZINC000040450241 554285118 /nfs/dbraw/zinc/28/51/18/554285118.db2.gz YCKHRAGAKVZYRO-UHFFFAOYSA-N 0 0 515.813 3.823 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3Cl)cc21 ZINC000040450250 554285190 /nfs/dbraw/zinc/28/51/90/554285190.db2.gz WRKGQOVTHIQTPL-UHFFFAOYSA-N 0 0 503.777 3.953 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)cc21 ZINC000040450290 554285169 /nfs/dbraw/zinc/28/51/69/554285169.db2.gz JDKUHMIXTDYXBX-UHFFFAOYSA-N 0 0 506.466 3.876 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)cc21 ZINC000040450292 554285098 /nfs/dbraw/zinc/28/50/98/554285098.db2.gz WRVACKFBJHUQDC-QGZVFWFLSA-N 0 0 506.466 3.956 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccc(C)cc4)[C@H](C)C3)cc21 ZINC000040450338 554285275 /nfs/dbraw/zinc/28/52/75/554285275.db2.gz LDKDIUBUDGFNNA-QGZVFWFLSA-N 0 0 506.466 3.956 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)c1C ZINC000040450443 554285271 /nfs/dbraw/zinc/28/52/71/554285271.db2.gz FEYNKFOBHPCJRN-UHFFFAOYSA-N 0 0 518.477 3.876 50 0 KHAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)c1 ZINC000040450444 554285410 /nfs/dbraw/zinc/28/54/10/554285410.db2.gz GTZRZXBOVFPGEE-UHFFFAOYSA-N 0 0 518.477 3.876 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)C[C@@H]2C)c1 ZINC000040450450 554285483 /nfs/dbraw/zinc/28/54/83/554285483.db2.gz LLIOSDIOGYHQAW-KRWDZBQOSA-N 0 0 518.477 3.956 50 0 KHAARN Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)C[C@@H]2C)cc1 ZINC000040450511 554285536 /nfs/dbraw/zinc/28/55/36/554285536.db2.gz OBWUJJHDUVERQZ-KRWDZBQOSA-N 0 0 518.477 3.956 50 0 KHAARN CCN(CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)c1ccccc1 ZINC000040450531 554285528 /nfs/dbraw/zinc/28/55/28/554285528.db2.gz HKZUDGQOSFRADK-UHFFFAOYSA-N 0 0 506.466 3.943 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c(Br)cc2C[C@H]1C ZINC000040450564 554285420 /nfs/dbraw/zinc/28/54/20/554285420.db2.gz XKTXSWKJVKZMMM-CQSZACIVSA-N 0 0 512.857 3.911 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c(Br)cc2C[C@@H]1C ZINC000040450565 554285552 /nfs/dbraw/zinc/28/55/52/554285552.db2.gz XKTXSWKJVKZMMM-AWEZNQCLSA-N 0 0 512.857 3.911 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Br)cc2C[C@H]1C ZINC000040450632 554285740 /nfs/dbraw/zinc/28/57/40/554285740.db2.gz MPPPHICZQGSOFI-CQSZACIVSA-N 0 0 512.857 3.911 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c(Br)cc2C[C@@H]1C ZINC000040450633 554285645 /nfs/dbraw/zinc/28/56/45/554285645.db2.gz MPPPHICZQGSOFI-AWEZNQCLSA-N 0 0 512.857 3.911 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(Br)cc2C[C@@H]1C ZINC000040450636 554285690 /nfs/dbraw/zinc/28/56/90/554285690.db2.gz JFYGVHPSPKGFLI-INIZCTEOSA-N 0 0 506.466 3.874 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c(Br)cc2C[C@H]1C ZINC000040450637 554285789 /nfs/dbraw/zinc/28/57/89/554285789.db2.gz JFYGVHPSPKGFLI-MRXNPFEDSA-N 0 0 506.466 3.874 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(Br)cc2C[C@@H]1C ZINC000040450638 554285712 /nfs/dbraw/zinc/28/57/12/554285712.db2.gz OSBDFOZVPSLMGH-KRWDZBQOSA-N 0 0 506.466 3.874 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(Br)cc2C[C@H]1C ZINC000040450639 554285693 /nfs/dbraw/zinc/28/56/93/554285693.db2.gz OSBDFOZVPSLMGH-QGZVFWFLSA-N 0 0 506.466 3.874 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(Br)cc2C[C@@H]1C ZINC000040450648 554285709 /nfs/dbraw/zinc/28/57/09/554285709.db2.gz KAYQOPSOMXTOBJ-IRXDYDNUSA-N 0 0 506.466 3.954 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)c(Br)cc2C[C@@H]1C ZINC000040450721 554285768 /nfs/dbraw/zinc/28/57/68/554285768.db2.gz QDNHMPLRMDEODK-IRXDYDNUSA-N 0 0 506.466 3.954 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(C(C)=O)cc3)cc21 ZINC000040450755 554285640 /nfs/dbraw/zinc/28/56/40/554285640.db2.gz HNIHIDKJZCIWHX-UHFFFAOYSA-N 0 0 507.406 3.753 50 0 KHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)cc1 ZINC000040450778 554285604 /nfs/dbraw/zinc/28/56/04/554285604.db2.gz LKKWLJJOTFXVQD-UHFFFAOYSA-N 0 0 509.422 3.949 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCCc4ccccc43)cc21 ZINC000040450779 554285793 /nfs/dbraw/zinc/28/57/93/554285793.db2.gz IQBNEBBRRNJKEJ-UHFFFAOYSA-N 0 0 505.434 3.891 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3cccc(C(C)=O)c3)cc21 ZINC000040450783 554285675 /nfs/dbraw/zinc/28/56/75/554285675.db2.gz LGVMSACTHRZVEU-UHFFFAOYSA-N 0 0 507.406 3.753 50 0 KHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000040450797 554285746 /nfs/dbraw/zinc/28/57/46/554285746.db2.gz VMYCNBOGQODYNG-UHFFFAOYSA-N 0 0 509.422 3.949 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(CC)Cc3ccccc3)cc21 ZINC000040450803 554285968 /nfs/dbraw/zinc/28/59/68/554285968.db2.gz IQVRLCCPRSDIGC-UHFFFAOYSA-N 0 0 507.450 3.961 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCc3ccc(Cl)cc3)cc21 ZINC000040450815 554285955 /nfs/dbraw/zinc/28/59/55/554285955.db2.gz IMWUAHNKKMPGNM-UHFFFAOYSA-N 0 0 513.841 3.882 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)cc21 ZINC000040450830 554285930 /nfs/dbraw/zinc/28/59/30/554285930.db2.gz FCOSJXCWKIUAME-UHFFFAOYSA-N 0 0 501.349 3.829 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3cc(C)ccc3OC)cc21 ZINC000040450831 554285985 /nfs/dbraw/zinc/28/59/85/554285985.db2.gz ARMNEZXVMLEYND-UHFFFAOYSA-N 0 0 509.422 3.868 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N(C)c3ccc(OC)cc3)cc21 ZINC000040450836 554285921 /nfs/dbraw/zinc/28/59/21/554285921.db2.gz QKZILOPLNAIZEL-UHFFFAOYSA-N 0 0 509.422 3.584 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4ccccc4C)CC3)cc21 ZINC000040450843 554285976 /nfs/dbraw/zinc/28/59/76/554285976.db2.gz REGOPQMQGBXEPY-UHFFFAOYSA-N 0 0 520.449 3.706 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)c4)CC3)cc21 ZINC000040450844 554285992 /nfs/dbraw/zinc/28/59/92/554285992.db2.gz BDOZTNNRRBDBTK-UHFFFAOYSA-N 0 0 520.449 3.706 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N4CCCC[C@@H]4C)CC3)cc21 ZINC000040450849 554285928 /nfs/dbraw/zinc/28/59/28/554285928.db2.gz GVJIBUJHBKVADC-INIZCTEOSA-N 0 0 526.497 3.550 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N4CCCC[C@H]4C)CC3)cc21 ZINC000040450850 554285953 /nfs/dbraw/zinc/28/59/53/554285953.db2.gz GVJIBUJHBKVADC-MRXNPFEDSA-N 0 0 526.497 3.550 50 0 KHAARN CCCN(CCC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)C1 ZINC000040450861 554286146 /nfs/dbraw/zinc/28/61/46/554286146.db2.gz WRWUAIODYFSSNJ-GOSISDBHSA-N 0 0 528.513 3.798 50 0 KHAARN CCCN(CCC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)C1 ZINC000040450862 554286089 /nfs/dbraw/zinc/28/60/89/554286089.db2.gz WRWUAIODYFSSNJ-SFHVURJKSA-N 0 0 528.513 3.798 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)c(Br)cc2C[C@H]1C ZINC000040450867 554286135 /nfs/dbraw/zinc/28/61/35/554286135.db2.gz STQCLBBGHQEWSV-CYBMUJFWSA-N 0 0 513.841 3.880 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)c(Br)cc2C[C@@H]1C ZINC000040450868 554286141 /nfs/dbraw/zinc/28/61/41/554286141.db2.gz STQCLBBGHQEWSV-ZDUSSCGKSA-N 0 0 513.841 3.880 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1cc(F)ccc1F ZINC000040450882 554286138 /nfs/dbraw/zinc/28/61/38/554286138.db2.gz OLRNWHDOSZHPBH-UHFFFAOYSA-N 0 0 513.360 3.829 50 0 KHAARN COc1cccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450887 554286110 /nfs/dbraw/zinc/28/61/10/554286110.db2.gz GAXFDIBIISXYIN-UHFFFAOYSA-N 0 0 507.406 3.559 50 0 KHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450888 554286094 /nfs/dbraw/zinc/28/60/94/554286094.db2.gz RHKQONDTIDLUOF-UHFFFAOYSA-N 0 0 507.406 3.559 50 0 KHAARN CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450889 554286151 /nfs/dbraw/zinc/28/61/51/554286151.db2.gz MZAMEKXGMJQOKW-UHFFFAOYSA-N 0 0 505.434 3.571 50 0 KHAARN CCN(C(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)c1ccccc1 ZINC000040450901 554286104 /nfs/dbraw/zinc/28/61/04/554286104.db2.gz YQMIHTKXHDJRID-UHFFFAOYSA-N 0 0 505.434 3.965 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCc2ccccc21 ZINC000040450908 554286102 /nfs/dbraw/zinc/28/61/02/554286102.db2.gz JZPOXFAUHUGNFV-UHFFFAOYSA-N 0 0 503.418 3.501 50 0 KHAARN Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450910 554286154 /nfs/dbraw/zinc/28/61/54/554286154.db2.gz TYDIKIUDRVPEOV-UHFFFAOYSA-N 0 0 505.434 3.537 50 0 KHAARN CCOc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450913 554286125 /nfs/dbraw/zinc/28/61/25/554286125.db2.gz LBPQNDRXBFAPRM-UHFFFAOYSA-N 0 0 521.433 3.949 50 0 KHAARN CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450921 554286096 /nfs/dbraw/zinc/28/60/96/554286096.db2.gz MFZDQAICCWFZKB-UHFFFAOYSA-N 0 0 519.417 3.753 50 0 KHAARN Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1F ZINC000040450935 554286374 /nfs/dbraw/zinc/28/63/74/554286374.db2.gz XFCFXDNSFKJZHA-UHFFFAOYSA-N 0 0 509.397 3.998 50 0 KHAARN CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450936 554286418 /nfs/dbraw/zinc/28/64/18/554286418.db2.gz YWOMUGWDXTWFNO-UHFFFAOYSA-N 0 0 521.433 3.949 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1ccc(F)c(F)c1 ZINC000040450937 554286321 /nfs/dbraw/zinc/28/63/21/554286321.db2.gz SNTUGUJXMRHBKY-UHFFFAOYSA-N 0 0 513.360 3.829 50 0 KHAARN COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450941 554286301 /nfs/dbraw/zinc/28/63/01/554286301.db2.gz XAHMNKSRXNMGSC-UHFFFAOYSA-N 0 0 521.433 3.868 50 0 KHAARN CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450942 554286307 /nfs/dbraw/zinc/28/63/07/554286307.db2.gz CELLPMQFLYHHPJ-UHFFFAOYSA-N 0 0 519.461 3.961 50 0 KHAARN Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450943 554286304 /nfs/dbraw/zinc/28/63/04/554286304.db2.gz KVSUXQIOQMXXCJ-UHFFFAOYSA-N 0 0 505.434 3.883 50 0 KHAARN COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450954 554286414 /nfs/dbraw/zinc/28/64/14/554286414.db2.gz GZVNBFWSGHDUQH-UHFFFAOYSA-N 0 0 521.433 3.584 50 0 KHAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450957 554286356 /nfs/dbraw/zinc/28/63/56/554286356.db2.gz NIVATBROTDZLLS-UHFFFAOYSA-N 0 0 506.378 3.697 50 0 KHAARN CCOc1ccc(CCNS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1OCC ZINC000040454588 554286394 /nfs/dbraw/zinc/28/63/94/554286394.db2.gz OAOGVRSNPMZDEY-UHFFFAOYSA-N 0 0 511.438 3.677 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)cc21 ZINC000040454623 554286362 /nfs/dbraw/zinc/28/63/62/554286362.db2.gz IXAYRZBIFYRCCS-UHFFFAOYSA-N 0 0 501.349 3.829 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)cc21 ZINC000040454628 554286639 /nfs/dbraw/zinc/28/66/39/554286639.db2.gz VPWQRRBGENGLQO-UHFFFAOYSA-N 0 0 507.450 3.579 50 0 KHAARN O=C(CCC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000040476181 554286607 /nfs/dbraw/zinc/28/66/07/554286607.db2.gz UMTLGVMMAWJSIR-UHFFFAOYSA-N 0 0 505.662 3.751 50 0 KHAARN O=C(COc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 ZINC000040476196 554286701 /nfs/dbraw/zinc/28/67/01/554286701.db2.gz ZAVYIRNCKUXTMF-UHFFFAOYSA-N 0 0 508.040 3.759 50 0 KHAARN Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1C ZINC000040476198 554286665 /nfs/dbraw/zinc/28/66/65/554286665.db2.gz MZKXFIMTHYFYOP-UHFFFAOYSA-N 0 0 501.649 3.722 50 0 KHAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCCC2)cc1 ZINC000040476207 554286646 /nfs/dbraw/zinc/28/66/46/554286646.db2.gz SHSDMIKKNVCOAO-UHFFFAOYSA-N 0 0 501.649 3.668 50 0 KHAARN CCCc1cc(OCC(=O)NC(=O)Nc2ccccc2)nc(SCC(=O)NC(=O)Nc2ccccc2)n1 ZINC000040556053 554287293 /nfs/dbraw/zinc/28/72/93/554287293.db2.gz HATGRKDKVHKIOS-UHFFFAOYSA-N 0 0 522.587 3.597 50 0 KHAARN COc1ccc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041024826 554291712 /nfs/dbraw/zinc/29/17/12/554291712.db2.gz ILOURDVXOFRNTB-QGZVFWFLSA-N 0 0 520.405 3.698 50 0 KHAARN COc1ccc(-c2cc(NC(=O)COc3ccc(Br)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000041024827 554291605 /nfs/dbraw/zinc/29/16/05/554291605.db2.gz ILOURDVXOFRNTB-KRWDZBQOSA-N 0 0 520.405 3.698 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000041077201 554292145 /nfs/dbraw/zinc/29/21/45/554292145.db2.gz LEQYWTKGQSBDET-UHFFFAOYSA-N 0 0 525.583 3.603 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000041077202 554292240 /nfs/dbraw/zinc/29/22/40/554292240.db2.gz PQCWCHFURPGJNY-UHFFFAOYSA-N 0 0 525.583 3.603 50 0 KHAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 ZINC000041077425 554292495 /nfs/dbraw/zinc/29/24/95/554292495.db2.gz INDBHKCSMIZPDC-UHFFFAOYSA-N 0 0 515.686 3.509 50 0 KHAARN O=C(Nc1ccc(F)cc1F)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000041077450 554292476 /nfs/dbraw/zinc/29/24/76/554292476.db2.gz VXFAVIJQSOWJDW-UHFFFAOYSA-N 0 0 500.506 3.585 50 0 KHAARN O=C(Nc1ccc(F)cc1F)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 ZINC000041077484 554292480 /nfs/dbraw/zinc/29/24/80/554292480.db2.gz AEWYMDSFVDRZOX-UHFFFAOYSA-N 0 0 500.506 3.585 50 0 KHAARN COc1cccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(Cl)cc5)sc4n3)CC2)c1 ZINC000041077487 554292447 /nfs/dbraw/zinc/29/24/47/554292447.db2.gz XBTNYKPVMMMQPW-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(C)c(C)cc5C)CC4)cc3=O)s2)cc1 ZINC000041077514 554292689 /nfs/dbraw/zinc/29/26/89/554292689.db2.gz QIUSKADMDXVBTG-UHFFFAOYSA-N 0 0 523.684 3.558 50 0 KHAARN Cc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)cc3=O)s2)cc1 ZINC000041077518 554292700 /nfs/dbraw/zinc/29/27/00/554292700.db2.gz PLNVSWIIKDOZRH-UHFFFAOYSA-N 0 0 523.684 3.756 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)cc3=O)s2)c1 ZINC000041077543 554292668 /nfs/dbraw/zinc/29/26/68/554292668.db2.gz NUFGCRXXFNQGPS-UHFFFAOYSA-N 0 0 523.684 3.756 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5cc(C)c(C)cc5C)CC4)cc3=O)s2)c1 ZINC000041077549 554292723 /nfs/dbraw/zinc/29/27/23/554292723.db2.gz SILNZESDFOZSBC-UHFFFAOYSA-N 0 0 523.684 3.558 50 0 KHAARN Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1C ZINC000041077581 554293011 /nfs/dbraw/zinc/29/30/11/554293011.db2.gz RPTILOWXSHKHFT-UHFFFAOYSA-N 0 0 523.684 3.558 50 0 KHAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cc2=O)s1 ZINC000041077586 554292961 /nfs/dbraw/zinc/29/29/61/554292961.db2.gz XJJDBXJZMVIIMV-UHFFFAOYSA-N 0 0 523.684 3.756 50 0 KHAARN CC(C)Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1 ZINC000041077605 554293017 /nfs/dbraw/zinc/29/30/17/554293017.db2.gz VAUNPPZUFSCPPX-UHFFFAOYSA-N 0 0 523.684 3.523 50 0 KHAARN COc1cccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)c1 ZINC000041085795 554294379 /nfs/dbraw/zinc/29/43/79/554294379.db2.gz HPGIDJHJYDRONX-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccccc4Cl)CC3)cc2=O)s1 ZINC000041085864 554294683 /nfs/dbraw/zinc/29/46/83/554294683.db2.gz VOZARSOXPACVER-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4cc(C)ccc4C)CC3)cc2=O)s1 ZINC000041085867 554294583 /nfs/dbraw/zinc/29/45/83/554294583.db2.gz YQXNFVFRTSWMIS-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)cc(C)c5)CC4)cc3=O)s2)c1 ZINC000041085894 554294631 /nfs/dbraw/zinc/29/46/31/554294631.db2.gz HYSLOKIIILPUGG-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(C)c5C)CC4)cc3=O)s2)cc1 ZINC000041085905 554294680 /nfs/dbraw/zinc/29/46/80/554294680.db2.gz SNIYEUPCZUBKBX-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1cccc(Br)c1 ZINC000041089524 554294628 /nfs/dbraw/zinc/29/46/28/554294628.db2.gz SZCULCRDIPYOHI-UHFFFAOYSA-N 0 0 512.316 3.976 50 0 KHAARN COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccccc1Br ZINC000041089525 554294616 /nfs/dbraw/zinc/29/46/16/554294616.db2.gz GMRNOSSKJGSEGH-UHFFFAOYSA-N 0 0 512.316 3.976 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Sc3ccccc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000041154403 554295785 /nfs/dbraw/zinc/29/57/85/554295785.db2.gz NSPCNJWLWLHVLA-MRXNPFEDSA-N 0 0 511.618 3.957 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2ccc(Sc3ccccc3)o2)[C@H]2CCS(=O)(=O)C2)cc1F ZINC000041154406 554295774 /nfs/dbraw/zinc/29/57/74/554295774.db2.gz NSPCNJWLWLHVLA-INIZCTEOSA-N 0 0 511.618 3.957 50 0 KHAARN COc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041155985 554296171 /nfs/dbraw/zinc/29/61/71/554296171.db2.gz FQWLCEUPAHVVQK-HXUWFJFHSA-N 0 0 513.616 3.971 50 0 KHAARN COc1ccc(OCC(=O)Nc2cc(-c3ccc(OCC(C)C)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041155988 554296096 /nfs/dbraw/zinc/29/60/96/554296096.db2.gz FQWLCEUPAHVVQK-FQEVSTJZSA-N 0 0 513.616 3.971 50 0 KHAARN CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1 ZINC000043100709 554297473 /nfs/dbraw/zinc/29/74/73/554297473.db2.gz LIRYPHYGHXZJBZ-UHFFFAOYSA-N 0 0 615.403 3.940 50 0 fda KHAARN O=C(NCCN1CCOCC1)c1cc2c(nccc2Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2)[nH]1 ZINC000043195804 554297791 /nfs/dbraw/zinc/29/77/91/554297791.db2.gz PKOVTRMHYNEBDU-UHFFFAOYSA-N 0 0 586.624 3.914 50 0 in-vitro KHAARN CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 ZINC000043202140 554298095 /nfs/dbraw/zinc/29/80/95/554298095.db2.gz JGCMEBMXRHSZKX-UHFFFAOYSA-N 0 0 588.282 3.573 50 0 fda KHAARN C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 ZINC000043202464 554298078 /nfs/dbraw/zinc/29/80/78/554298078.db2.gz VWMJHAFYPMOMGF-ZCFIWIBFSA-N 0 0 506.297 3.979 50 0 in-man KHAARN NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043202993 554298157 /nfs/dbraw/zinc/29/81/57/554298157.db2.gz XEAOPVUAMONVLA-QGZVFWFLSA-N 0 0 520.892 3.916 50 0 investigational KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000043741527 554299023 /nfs/dbraw/zinc/29/90/23/554299023.db2.gz NAPQXLKGNVTDGM-XOUAGPDTSA-N 0 0 519.642 3.745 50 0 biogenic KHAARN CSCC[C@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1 ZINC000043746655 554299090 /nfs/dbraw/zinc/29/90/90/554299090.db2.gz VVZPZNFNYYKYFX-GSLIJJQTSA-N 0 0 516.667 3.935 50 0 KHAARN CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000043746664 554299364 /nfs/dbraw/zinc/29/93/64/554299364.db2.gz DJHDQVLTJNRSES-MPPJPQNLSA-N 0 0 504.656 3.790 50 0 KHAARN CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000043746666 554299396 /nfs/dbraw/zinc/29/93/96/554299396.db2.gz DJHDQVLTJNRSES-SBGYWMCSSA-N 0 0 504.656 3.790 50 0 KHAARN CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000043746671 554299372 /nfs/dbraw/zinc/29/93/72/554299372.db2.gz UXHFXBHPLBSSST-REUBFRLUSA-N 0 0 506.606 3.892 50 0 KHAARN Cc1ccccc1C(=O)N[C@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000043751628 554299409 /nfs/dbraw/zinc/29/94/09/554299409.db2.gz HRQHMEOMFFUNQM-BXTJHSDWSA-N 0 0 513.878 3.577 50 0 biogenic KHAARN Cc1ccccc1C(=O)N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)C(Cl)(Cl)Cl ZINC000043751629 554299450 /nfs/dbraw/zinc/29/94/50/554299450.db2.gz HRQHMEOMFFUNQM-MDOVXXIYSA-N 0 0 513.878 3.577 50 0 biogenic KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000043759521 554299382 /nfs/dbraw/zinc/29/93/82/554299382.db2.gz JEMOPHGVTPVTLA-KEBMYNNESA-N 0 0 517.390 3.640 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000043759522 554299405 /nfs/dbraw/zinc/29/94/05/554299405.db2.gz JEMOPHGVTPVTLA-IDQDRXHYSA-N 0 0 517.390 3.640 50 0 KHAARN CCOC(=O)C(COC)(Oc1ccc(Oc2ccc(I)cc2)cc1)C(=O)OCC ZINC000044126687 554301268 /nfs/dbraw/zinc/30/12/68/554301268.db2.gz RGASHOAMVMXUPU-UHFFFAOYSA-N 0 0 514.312 3.974 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCc3ccc(Cl)cc3)cc21 ZINC000044139529 554301318 /nfs/dbraw/zinc/30/13/18/554301318.db2.gz OIHJZEHYXKPBMP-UHFFFAOYSA-N 0 0 513.841 3.534 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)cc21 ZINC000044139533 554301304 /nfs/dbraw/zinc/30/13/04/554301304.db2.gz PUCRDTDTVKLROA-UHFFFAOYSA-N 0 0 512.857 3.913 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000044139539 554301301 /nfs/dbraw/zinc/30/13/01/554301301.db2.gz XEDCDGBJTDQIIC-UHFFFAOYSA-N 0 0 512.857 3.913 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)cc21 ZINC000044139541 554301256 /nfs/dbraw/zinc/30/12/56/554301256.db2.gz YOTSVFQSGHXNIH-UHFFFAOYSA-N 0 0 506.466 3.876 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC4CCCCC4)C3)cc21 ZINC000044139577 554301561 /nfs/dbraw/zinc/30/15/61/554301561.db2.gz FUFYFWLOTHOSOW-KRWDZBQOSA-N 0 0 526.497 3.598 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc21 ZINC000044139579 554301422 /nfs/dbraw/zinc/30/14/22/554301422.db2.gz FUFYFWLOTHOSOW-QGZVFWFLSA-N 0 0 526.497 3.598 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)c(Br)cc2C[C@H]1C ZINC000044144363 554301533 /nfs/dbraw/zinc/30/15/33/554301533.db2.gz FDTCCUQSNLUHAP-LLVKDONJSA-N 0 0 501.349 3.827 50 0 KHAARN CC(=O)N1c2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)c(Br)cc2C[C@@H]1C ZINC000044144367 554301610 /nfs/dbraw/zinc/30/16/10/554301610.db2.gz FDTCCUQSNLUHAP-NSHDSACASA-N 0 0 501.349 3.827 50 0 KHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CCN1C ZINC000044459641 554301796 /nfs/dbraw/zinc/30/17/96/554301796.db2.gz USQFTJRDRWWXGG-PKTZIBPZSA-N 0 0 548.548 3.634 50 0 KHAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CCN1C ZINC000044459642 554301790 /nfs/dbraw/zinc/30/17/90/554301790.db2.gz USQFTJRDRWWXGG-GOTSBHOMSA-N 0 0 548.548 3.634 50 0 KHAARN COc1ccc(C(=O)OCc2c3c(c(OC)c4c2CCN[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000044459643 554301843 /nfs/dbraw/zinc/30/18/43/554301843.db2.gz PAWXSZRZCVJSBP-RPWUZVMVSA-N 0 0 563.559 3.905 50 0 KHAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@@H](CCC(N)=O)NC(=O)c4ccc(F)cc4)cc3)sc2c1 ZINC000044460038 554302514 /nfs/dbraw/zinc/30/25/14/554302514.db2.gz IATMGJKVZSBICW-JOCHJYFZSA-N 0 0 548.596 3.957 50 0 KHAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)[C@H](CCC(N)=O)NC(=O)c4ccc(F)cc4)cc3)sc2c1 ZINC000044460039 554302438 /nfs/dbraw/zinc/30/24/38/554302438.db2.gz IATMGJKVZSBICW-QFIPXVFZSA-N 0 0 548.596 3.957 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O=C(Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)N3CCCCCC3)cc2)c1=O)Nc1ccccc1 ZINC000045900201 554313749 /nfs/dbraw/zinc/31/37/49/554313749.db2.gz YPGRVAHIOOOONR-UHFFFAOYSA-N 0 0 510.594 3.736 50 0 KHAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)cc1 ZINC000045900246 554313644 /nfs/dbraw/zinc/31/36/44/554313644.db2.gz XUUOLLFWISNTPO-UHFFFAOYSA-N 0 0 512.610 3.668 50 0 KHAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3Cl)c2=O)cc1 ZINC000045900249 554313664 /nfs/dbraw/zinc/31/36/64/554313664.db2.gz RRJIZDFRSSVXLO-UHFFFAOYSA-N 0 0 519.001 3.759 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)cc1C ZINC000045900255 554313766 /nfs/dbraw/zinc/31/37/66/554313766.db2.gz PQIOMQRCMMGVQK-UHFFFAOYSA-N 0 0 512.610 3.723 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCC(C)C)cc2)c1=O ZINC000045900258 554313692 /nfs/dbraw/zinc/31/36/92/554313692.db2.gz SVYWFPCMSZFDEF-UHFFFAOYSA-N 0 0 512.610 3.668 50 0 KHAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 ZINC000045900267 554313687 /nfs/dbraw/zinc/31/36/87/554313687.db2.gz AFWIJYCAQDWMMO-UHFFFAOYSA-N 0 0 519.001 3.759 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)cc1F ZINC000045900274 554313718 /nfs/dbraw/zinc/31/37/18/554313718.db2.gz GLTXHXPGNRCAHE-UHFFFAOYSA-N 0 0 516.573 3.553 50 0 KHAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)c1 ZINC000045900277 554313709 /nfs/dbraw/zinc/31/37/09/554313709.db2.gz QGFFQEDTDHBYEK-UHFFFAOYSA-N 0 0 512.610 3.668 50 0 KHAARN CC(C)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 ZINC000045900284 554313713 /nfs/dbraw/zinc/31/37/13/554313713.db2.gz BVPVYDLRYMTFGM-UHFFFAOYSA-N 0 0 519.001 3.759 50 0 KHAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)c1 ZINC000045900287 554313679 /nfs/dbraw/zinc/31/36/79/554313679.db2.gz MIQWGVLJPMHGEQ-UHFFFAOYSA-N 0 0 512.610 3.723 50 0 KHAARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC(C)C)cc3)c2=O)c1C ZINC000045900296 554313746 /nfs/dbraw/zinc/31/37/46/554313746.db2.gz KJSQQIKWWNPKSG-UHFFFAOYSA-N 0 0 512.610 3.723 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2cccc(C)c2C)c1 ZINC000045900818 554314030 /nfs/dbraw/zinc/31/40/30/554314030.db2.gz DWGXXXRKSNHBEG-UHFFFAOYSA-N 0 0 525.583 3.603 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2c(C)cccc2C)c1 ZINC000045900821 554313968 /nfs/dbraw/zinc/31/39/68/554313968.db2.gz MQIMPHGXZVQELP-UHFFFAOYSA-N 0 0 525.583 3.603 50 0 KHAARN CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 ZINC000045900824 554313962 /nfs/dbraw/zinc/31/39/62/554313962.db2.gz VOJVNHXEHNNSFY-UHFFFAOYSA-N 0 0 525.583 3.548 50 0 KHAARN CC[C@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)CC)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000045900827 554313954 /nfs/dbraw/zinc/31/39/54/554313954.db2.gz CDIUDWMAMNYMRA-QFIPXVFZSA-N 0 0 525.583 3.765 50 0 KHAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)CC)ccc1OCc1cc(=O)n2oc(C)cc2n1 ZINC000045900830 554313981 /nfs/dbraw/zinc/31/39/81/554313981.db2.gz CDIUDWMAMNYMRA-JOCHJYFZSA-N 0 0 525.583 3.765 50 0 KHAARN O=C(NCCCN1CCCC1=O)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000045921453 554313956 /nfs/dbraw/zinc/31/39/56/554313956.db2.gz OPXBCFYKIGEEGV-UHFFFAOYSA-N 0 0 518.481 3.735 50 0 KHAARN CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(OC)c(OC)c4)ccn3n2)cc1 ZINC000045921794 554314261 /nfs/dbraw/zinc/31/42/61/554314261.db2.gz BJDRVGSNVYAAOF-UHFFFAOYSA-N 0 0 504.587 3.718 50 0 KHAARN Cc1cccc(NC(=O)Cc2ccc(-n3c(=O)c4ccccc4n(CC(=O)NC4CCCC4)c3=O)cc2)c1 ZINC000045922026 554314523 /nfs/dbraw/zinc/31/45/23/554314523.db2.gz NSXDOPYIIZREBN-UHFFFAOYSA-N 0 0 510.594 3.701 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O)NC1CCCCC1 ZINC000045922105 554314489 /nfs/dbraw/zinc/31/44/89/554314489.db2.gz RQKAZNXNUFELCW-UHFFFAOYSA-N 0 0 516.642 3.958 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O)NC1CCCC1 ZINC000045922110 554314498 /nfs/dbraw/zinc/31/44/98/554314498.db2.gz BJMMVBDFXUFYIG-UHFFFAOYSA-N 0 0 502.615 3.567 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O)NC1CCCCC1 ZINC000045922137 554314517 /nfs/dbraw/zinc/31/45/17/554314517.db2.gz KFNYSNJSICRWPR-UHFFFAOYSA-N 0 0 512.557 3.699 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCCC3)c2=O)c(Cl)c1 ZINC000045922187 554314824 /nfs/dbraw/zinc/31/48/24/554314824.db2.gz PBOIABTXLXWBBW-UHFFFAOYSA-N 0 0 511.022 3.993 50 0 KHAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2cccs2)c1=O ZINC000045922204 554314731 /nfs/dbraw/zinc/31/47/31/554314731.db2.gz JQFVEGPRPGTAOZ-UHFFFAOYSA-N 0 0 518.639 3.967 50 0 KHAARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3cccs3)c2=O)c1 ZINC000045922209 554314788 /nfs/dbraw/zinc/31/47/88/554314788.db2.gz QBQNLOAFIONDBD-UHFFFAOYSA-N 0 0 518.639 3.967 50 0 KHAARN Nc1nc(SCC(=O)Nc2ccc(Br)cc2F)ncc1S(=O)(=O)c1cccs1 ZINC000045924963 554316044 /nfs/dbraw/zinc/31/60/44/554316044.db2.gz IQAOKZLYPBMAMC-UHFFFAOYSA-N 0 0 503.400 3.586 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 ZINC000045925044 554316065 /nfs/dbraw/zinc/31/60/65/554316065.db2.gz JVMMTFRVHRSTLC-UHFFFAOYSA-N 0 0 513.022 3.514 50 0 KHAARN COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)cc1Cl ZINC000045925058 554316027 /nfs/dbraw/zinc/31/60/27/554316027.db2.gz XZQQXRWUXFAZNV-UHFFFAOYSA-N 0 0 505.430 3.999 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1 ZINC000045925062 554316033 /nfs/dbraw/zinc/31/60/33/554316033.db2.gz FLBXJLWUIVXTAO-UHFFFAOYSA-N 0 0 505.430 3.999 50 0 KHAARN Nc1nc(SCC(=O)Nc2ccccc2F)ncc1S(=O)(=O)c1ccc(Br)s1 ZINC000045925164 554316050 /nfs/dbraw/zinc/31/60/50/554316050.db2.gz XHDHONLDCRBYDT-UHFFFAOYSA-N 0 0 503.400 3.586 50 0 KHAARN Nc1nc(SCC(=O)Nc2cccc(F)c2)ncc1S(=O)(=O)c1ccc(Br)s1 ZINC000045925167 554316057 /nfs/dbraw/zinc/31/60/57/554316057.db2.gz GCHJSGWTKPPAHQ-UHFFFAOYSA-N 0 0 503.400 3.586 50 0 KHAARN Nc1nc(SCC(=O)Nc2ccc(F)cc2)ncc1S(=O)(=O)c1ccc(Br)s1 ZINC000045925170 554316106 /nfs/dbraw/zinc/31/61/06/554316106.db2.gz DOMPJQSESRYBIM-UHFFFAOYSA-N 0 0 503.400 3.586 50 0 KHAARN CCOc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)Nc4ccccc4Br)n3n2)cc1 ZINC000045925810 554316406 /nfs/dbraw/zinc/31/64/06/554316406.db2.gz PBXAEPULKYNIAB-UHFFFAOYSA-N 0 0 500.378 3.977 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(OC)cc5)nn4ccn23)cc1 ZINC000045971823 554317078 /nfs/dbraw/zinc/31/70/78/554317078.db2.gz FSYPAYHQWHQBMJ-UHFFFAOYSA-N 0 0 502.556 3.960 50 0 KHAARN CSc1nn(CC(=O)Nc2ccc(Br)cc2F)c(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000045986798 554317027 /nfs/dbraw/zinc/31/70/27/554317027.db2.gz XOBZVUQXALSXHJ-UHFFFAOYSA-N 0 0 513.414 3.869 50 0 KHAARN COc1ccc(NC(=O)Cn2nc(SC)c(S(=O)(=O)c3ccc(Cl)cc3)c2N)cc1Cl ZINC000045986921 554317085 /nfs/dbraw/zinc/31/70/85/554317085.db2.gz TWIPXKHGYUMALN-UHFFFAOYSA-N 0 0 501.417 3.974 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(SC)c(S(=O)(=O)c2ccc(Cl)cc2)c1N ZINC000045986975 554317075 /nfs/dbraw/zinc/31/70/75/554317075.db2.gz VPHIQOQHYHXAKB-UHFFFAOYSA-N 0 0 501.417 3.974 50 0 KHAARN CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3nc(C)ccc3c2=O)cc1 ZINC000045994965 554318043 /nfs/dbraw/zinc/31/80/43/554318043.db2.gz IYPWOZDRFLQQMI-UHFFFAOYSA-N 0 0 519.579 3.510 50 0 KHAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1OC ZINC000045994973 554318003 /nfs/dbraw/zinc/31/80/03/554318003.db2.gz LNZWTNNBYJBFCT-UHFFFAOYSA-N 0 0 521.595 3.810 50 0 KHAARN COc1cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc(OC)c1 ZINC000045994975 554318027 /nfs/dbraw/zinc/31/80/27/554318027.db2.gz UGXDQLZEHLIOPJ-UHFFFAOYSA-N 0 0 521.595 3.810 50 0 KHAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCCO4)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045994985 554318018 /nfs/dbraw/zinc/31/80/18/554318018.db2.gz FZPBCPXPBVYHQI-UHFFFAOYSA-N 0 0 519.579 3.564 50 0 KHAARN Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3nc(C)ccc3c2=O)c(C)c1 ZINC000045994987 554318016 /nfs/dbraw/zinc/31/80/16/554318016.db2.gz PTAVBXGMTPHAMZ-UHFFFAOYSA-N 0 0 505.552 3.522 50 0 KHAARN CC(=O)c1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)c1 ZINC000045994991 554318040 /nfs/dbraw/zinc/31/80/40/554318040.db2.gz UCOCOSRUFOVKHC-UHFFFAOYSA-N 0 0 503.580 3.996 50 0 KHAARN CC(=O)c1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1 ZINC000045994993 554318020 /nfs/dbraw/zinc/31/80/20/554318020.db2.gz UGUVBNYEMIALFL-UHFFFAOYSA-N 0 0 503.580 3.996 50 0 KHAARN COc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)cc1OC ZINC000045995032 554318042 /nfs/dbraw/zinc/31/80/42/554318042.db2.gz LGVPGDDHSMJHQM-UHFFFAOYSA-N 0 0 521.595 3.810 50 0 KHAARN COc1cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)cc(OC)c1 ZINC000045995034 554318034 /nfs/dbraw/zinc/31/80/34/554318034.db2.gz YMGCRPJMGKTCOY-UHFFFAOYSA-N 0 0 521.595 3.810 50 0 KHAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc4c(c3)OCCO4)c2n1 ZINC000045995042 554318156 /nfs/dbraw/zinc/31/81/56/554318156.db2.gz DSQXCAWEAKHTPM-UHFFFAOYSA-N 0 0 519.579 3.564 50 0 KHAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccc(C)c(C)c3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2n1 ZINC000045995044 554318227 /nfs/dbraw/zinc/31/82/27/554318227.db2.gz LLARMOFTACKIQJ-UHFFFAOYSA-N 0 0 505.552 3.522 50 0 KHAARN CC(=O)c1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)cc1 ZINC000045995046 554318263 /nfs/dbraw/zinc/31/82/63/554318263.db2.gz TTZHSWRXIWKYCO-UHFFFAOYSA-N 0 0 503.580 3.996 50 0 KHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000046031662 554319077 /nfs/dbraw/zinc/31/90/77/554319077.db2.gz JMRANVXLOFZRIB-UHFFFAOYSA-N 0 0 510.417 3.539 50 0 KHAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2=O)s1 ZINC000046031670 554319113 /nfs/dbraw/zinc/31/91/13/554319113.db2.gz XPQIAMHJLIAYSU-UHFFFAOYSA-N 0 0 503.672 3.987 50 0 KHAARN Cc1cccc(-c2nn3c(nc(CN4CCN(C(=O)C56CC7CC(CC(C7)C5)C6)CC4)cc3=O)s2)c1 ZINC000046031694 554319053 /nfs/dbraw/zinc/31/90/53/554319053.db2.gz QTLQAOXTQLKDBI-UHFFFAOYSA-N 0 0 503.672 3.987 50 0 KHAARN CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1 ZINC000046031763 554319107 /nfs/dbraw/zinc/31/91/07/554319107.db2.gz WBKHIWSUTRKXBH-UHFFFAOYSA-N 0 0 510.019 3.828 50 0 KHAARN O=C(N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000046031797 554319135 /nfs/dbraw/zinc/31/91/35/554319135.db2.gz WMPFVRBLFDOTNB-UHFFFAOYSA-N 0 0 507.635 3.818 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)cc2=O)s1 ZINC000046031864 554319353 /nfs/dbraw/zinc/31/93/53/554319353.db2.gz BHZORULMQINBLI-UHFFFAOYSA-N 0 0 519.671 3.687 50 0 KHAARN O=C(c1cccc(Br)c1)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000046031880 554319446 /nfs/dbraw/zinc/31/94/46/554319446.db2.gz SDZBSNFMMZMMCB-UHFFFAOYSA-N 0 0 516.446 3.600 50 0 KHAARN O=C(c1ccccc1Br)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000046031882 554319314 /nfs/dbraw/zinc/31/93/14/554319314.db2.gz IFNULJWUEZNMRQ-UHFFFAOYSA-N 0 0 516.446 3.600 50 0 KHAARN O=C(CSc1ccc(Cl)cc1)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000046031886 554319451 /nfs/dbraw/zinc/31/94/51/554319451.db2.gz SWYSGEXGCFWYJR-UHFFFAOYSA-N 0 0 518.089 3.969 50 0 KHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(=O)n3nc(-c4cccs4)sc3n2)CC1 ZINC000046031888 554319317 /nfs/dbraw/zinc/31/93/17/554319317.db2.gz CQUQFGPEHXIEFR-UHFFFAOYSA-N 0 0 516.446 3.600 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)C56CC7CC(CC(C7)C5)C6)CC4)cc3=O)s2)c1 ZINC000046031896 554319418 /nfs/dbraw/zinc/31/94/18/554319418.db2.gz QQQNPHBMGFHEDV-UHFFFAOYSA-N 0 0 519.671 3.687 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)c5ccc(C(C)C)cc5)CC4)cc3=O)s2)c1 ZINC000046031906 554319386 /nfs/dbraw/zinc/31/93/86/554319386.db2.gz DCMMADMEQNFLNH-UHFFFAOYSA-N 0 0 503.628 3.908 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)C56CC7CC(CC(C7)C5)C6)CC4)cc3=O)s2)cc1 ZINC000046031926 554319340 /nfs/dbraw/zinc/31/93/40/554319340.db2.gz YGOCRCPBYMGLHG-UHFFFAOYSA-N 0 0 519.671 3.687 50 0 KHAARN COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1 ZINC000046031996 554319427 /nfs/dbraw/zinc/31/94/27/554319427.db2.gz IPCQLQACCSLIDK-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1cccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)c1 ZINC000046032006 554319334 /nfs/dbraw/zinc/31/93/34/554319334.db2.gz MNGQRYHFSASXOI-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(Cl)c5)sc4n3)CC2)cc1 ZINC000046032008 554319571 /nfs/dbraw/zinc/31/95/71/554319571.db2.gz MTFDYUBIUZYGLC-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 ZINC000046032024 554319639 /nfs/dbraw/zinc/31/96/39/554319639.db2.gz NEECPZFRELSQNS-UHFFFAOYSA-N 0 0 508.579 3.706 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)cc2=O)s1 ZINC000046032069 554319665 /nfs/dbraw/zinc/31/96/65/554319665.db2.gz JNDMQDOGBSUEET-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc2=O)s1 ZINC000046032071 554319656 /nfs/dbraw/zinc/31/96/56/554319656.db2.gz BORVLJLCNOVFJU-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)cc2=O)s1 ZINC000046032073 554319603 /nfs/dbraw/zinc/31/96/03/554319603.db2.gz IAYVKWGVMOLEPI-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)cc2=O)s1 ZINC000046032079 554319659 /nfs/dbraw/zinc/31/96/59/554319659.db2.gz CGNLFBNOJSIYGM-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4cccc(SC)c4)CC3)cc2=O)s1 ZINC000046032085 554319592 /nfs/dbraw/zinc/31/95/92/554319592.db2.gz PQZQRBPGSKHBPL-UHFFFAOYSA-N 0 0 522.656 3.898 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc(C)c(C)c5)CC4)cc3=O)s2)c1 ZINC000046032125 554319635 /nfs/dbraw/zinc/31/96/35/554319635.db2.gz SFOBPLCTUNNRCD-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccccc5Cl)CC4)cc3=O)s2)c1 ZINC000046032129 554319588 /nfs/dbraw/zinc/31/95/88/554319588.db2.gz WTNSWLDNIRDBSG-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN CCc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1 ZINC000046032131 554319608 /nfs/dbraw/zinc/31/96/08/554319608.db2.gz IEAHKKVTVNIUMK-UHFFFAOYSA-N 0 0 504.616 3.739 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(C)c5C)CC4)cc3=O)s2)c1 ZINC000046032133 554319840 /nfs/dbraw/zinc/31/98/40/554319840.db2.gz FBSVZAAKAPQDQJ-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)ccc5C)CC4)cc3=O)s2)c1 ZINC000046032137 554319842 /nfs/dbraw/zinc/31/98/42/554319842.db2.gz DBQHBMIFSIJFSC-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(Cl)c5)CC4)cc3=O)s2)cc1 ZINC000046032146 554319831 /nfs/dbraw/zinc/31/98/31/554319831.db2.gz UZONYFYHYYZLHU-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3=O)s2)cc1 ZINC000046032148 554319884 /nfs/dbraw/zinc/31/98/84/554319884.db2.gz KTWNJEPPCIBEID-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc(C)c(C)c5)CC4)cc3=O)s2)cc1 ZINC000046032150 554319822 /nfs/dbraw/zinc/31/98/22/554319822.db2.gz AREYTTDRRILJES-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccccc5Cl)CC4)cc3=O)s2)cc1 ZINC000046032153 554319908 /nfs/dbraw/zinc/31/99/08/554319908.db2.gz ZKAKTIBGCBYETK-UHFFFAOYSA-N 0 0 511.007 3.830 50 0 KHAARN CCc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(OC)cc5)sc4n3)CC2)cc1 ZINC000046032155 554319877 /nfs/dbraw/zinc/31/98/77/554319877.db2.gz CALAAJXPNYTBHK-UHFFFAOYSA-N 0 0 504.616 3.739 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cc(C)cc(C)c5)CC4)cc3=O)s2)cc1 ZINC000046032157 554319853 /nfs/dbraw/zinc/31/98/53/554319853.db2.gz PVJNZRYQXLDAQX-UHFFFAOYSA-N 0 0 504.616 3.793 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5cccc(SC)c5)CC4)cc3=O)s2)cc1 ZINC000046032165 554319837 /nfs/dbraw/zinc/31/98/37/554319837.db2.gz WGQFYLCCEPEHJG-UHFFFAOYSA-N 0 0 522.656 3.898 50 0 KHAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)NCCC(=O)Nc3ccc(C)cc3C)n2)cc1 ZINC000046086229 554320045 /nfs/dbraw/zinc/32/00/45/554320045.db2.gz WNXVHTAVRFPPOH-UHFFFAOYSA-N 0 0 501.008 3.788 50 0 KHAARN O=C(CCNC(=O)c1nc(S(=O)(=O)Cc2ccccc2Cl)ncc1Cl)Nc1ccc(F)cc1 ZINC000046086231 554320148 /nfs/dbraw/zinc/32/01/48/554320148.db2.gz TWNHEEYONRTVCC-UHFFFAOYSA-N 0 0 511.362 3.655 50 0 KHAARN Cc1ccccc1NC(=O)CCNC(=O)c1nc(S(=O)(=O)Cc2ccccc2Cl)ncc1Cl ZINC000046086235 554320070 /nfs/dbraw/zinc/32/00/70/554320070.db2.gz YCZINTRVNAYSEC-UHFFFAOYSA-N 0 0 507.399 3.824 50 0 KHAARN COCCCNC(=O)CCCNC(=O)c1nc(SCc2ccccc2Cl)ncc1Br ZINC000046086253 554320039 /nfs/dbraw/zinc/32/00/39/554320039.db2.gz SFZBRRBPLYRXMK-UHFFFAOYSA-N 0 0 515.861 3.848 50 0 KHAARN Cc1ccc(NC(=O)CCNC(=O)c2nc(S(=O)(=O)Cc3ccccc3Cl)ncc2Cl)cc1 ZINC000046086272 554320075 /nfs/dbraw/zinc/32/00/75/554320075.db2.gz KKXRPCOZWLOKJZ-UHFFFAOYSA-N 0 0 507.399 3.824 50 0 KHAARN Cc1ccc(CNC(=O)CCNC(=O)c2nc(S(=O)(=O)Cc3ccccc3Cl)ncc2Cl)cc1 ZINC000046086305 554320130 /nfs/dbraw/zinc/32/01/30/554320130.db2.gz LKLQNNQWWLXNRO-UHFFFAOYSA-N 0 0 521.426 3.502 50 0 KHAARN CCOc1ccc(NC(=O)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000046086537 554320413 /nfs/dbraw/zinc/32/04/13/554320413.db2.gz SBZHJYWFKDMGGQ-AREMUKBSSA-N 0 0 503.599 3.970 50 0 KHAARN CCOc1ccc(NC(=O)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000046086539 554320391 /nfs/dbraw/zinc/32/03/91/554320391.db2.gz SBZHJYWFKDMGGQ-SANMLTNESA-N 0 0 503.599 3.970 50 0 KHAARN CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000046086743 554320367 /nfs/dbraw/zinc/32/03/67/554320367.db2.gz YCXANMMLPDWEMR-AREMUKBSSA-N 0 0 503.599 3.970 50 0 KHAARN CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000046086745 554320334 /nfs/dbraw/zinc/32/03/34/554320334.db2.gz YCXANMMLPDWEMR-SANMLTNESA-N 0 0 503.599 3.970 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 ZINC000046124907 554320538 /nfs/dbraw/zinc/32/05/38/554320538.db2.gz LXIQVEOKZXBHQX-ZDUSSCGKSA-N 0 0 506.993 3.741 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 ZINC000046124910 554320545 /nfs/dbraw/zinc/32/05/45/554320545.db2.gz LXIQVEOKZXBHQX-CYBMUJFWSA-N 0 0 506.993 3.741 50 0 KHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000046124931 554320589 /nfs/dbraw/zinc/32/05/89/554320589.db2.gz RODCXLZLZYYZCM-INIZCTEOSA-N 0 0 500.602 3.704 50 0 KHAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c1 ZINC000046124934 554320556 /nfs/dbraw/zinc/32/05/56/554320556.db2.gz RODCXLZLZYYZCM-MRXNPFEDSA-N 0 0 500.602 3.704 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)s1 ZINC000046124943 554320642 /nfs/dbraw/zinc/32/06/42/554320642.db2.gz OSUPCFHQVZYUTO-LLVKDONJSA-N 0 0 513.022 3.802 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)s1 ZINC000046124948 554320593 /nfs/dbraw/zinc/32/05/93/554320593.db2.gz OSUPCFHQVZYUTO-NSHDSACASA-N 0 0 513.022 3.802 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c(C)c1 ZINC000046124951 554320606 /nfs/dbraw/zinc/32/06/06/554320606.db2.gz FSYUUSFOTKFPIB-INIZCTEOSA-N 0 0 500.602 3.704 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)c(C)c1 ZINC000046124954 554320604 /nfs/dbraw/zinc/32/06/04/554320604.db2.gz FSYUUSFOTKFPIB-MRXNPFEDSA-N 0 0 500.602 3.704 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1 ZINC000046124964 554320635 /nfs/dbraw/zinc/32/06/35/554320635.db2.gz KSMYNTTUJURUJM-INIZCTEOSA-N 0 0 500.602 3.650 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)cc1 ZINC000046124967 554320639 /nfs/dbraw/zinc/32/06/39/554320639.db2.gz KSMYNTTUJURUJM-MRXNPFEDSA-N 0 0 500.602 3.650 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)s1 ZINC000046124977 554320566 /nfs/dbraw/zinc/32/05/66/554320566.db2.gz MFACFBGNUDLQKJ-ZDUSSCGKSA-N 0 0 506.993 3.741 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)s1 ZINC000046124980 554320596 /nfs/dbraw/zinc/32/05/96/554320596.db2.gz MFACFBGNUDLQKJ-CYBMUJFWSA-N 0 0 506.993 3.741 50 0 KHAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000046124995 554320892 /nfs/dbraw/zinc/32/08/92/554320892.db2.gz WMXLIISMXSIERP-AWEZNQCLSA-N 0 0 504.565 3.535 50 0 KHAARN Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)C1 ZINC000046124998 554320840 /nfs/dbraw/zinc/32/08/40/554320840.db2.gz WMXLIISMXSIERP-CQSZACIVSA-N 0 0 504.565 3.535 50 0 KHAARN CCn1c2cc(NC(=O)c3cccc(OC)c3)c(S(=O)(=O)c3ccc(OC)cc3)cc2n(CC)c1=O ZINC000046141095 554320901 /nfs/dbraw/zinc/32/09/01/554320901.db2.gz OPNDQPBFEZARHJ-UHFFFAOYSA-N 0 0 509.584 3.945 50 0 KHAARN Cn1c2cc(NC(=O)c3ccccc3Br)c(S(=O)(=O)c3ccccc3)cc2n(C)c1=O ZINC000046145645 554320885 /nfs/dbraw/zinc/32/08/85/554320885.db2.gz RFPNEKZMSUHKGJ-UHFFFAOYSA-N 0 0 500.374 3.725 50 0 KHAARN Cn1c2cc(NC(=O)c3ccc(Br)cc3)c(S(=O)(=O)c3ccccc3)cc2n(C)c1=O ZINC000046145685 554320920 /nfs/dbraw/zinc/32/09/20/554320920.db2.gz JBDJABMAOMYGOS-UHFFFAOYSA-N 0 0 500.374 3.725 50 0 KHAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(F)cc4F)nc3SC)n2)cc1OC ZINC000046914809 554321079 /nfs/dbraw/zinc/32/10/79/554321079.db2.gz ZOKTZOATGZOREH-UHFFFAOYSA-N 0 0 502.503 3.838 50 0 KHAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4cc(F)ccc4F)nc3SC)n2)cc1OC ZINC000046914817 554321093 /nfs/dbraw/zinc/32/10/93/554321093.db2.gz GGDGJWHUBGNDEK-UHFFFAOYSA-N 0 0 502.503 3.838 50 0 KHAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)Nc4ccc(F)c(F)c4)nc3SC)n2)cc1OC ZINC000046914823 554321151 /nfs/dbraw/zinc/32/11/51/554321151.db2.gz SSLLNDDLLQTJQA-UHFFFAOYSA-N 0 0 502.503 3.838 50 0 KHAARN COc1ccc(-c2noc(-c3c(N)n(CC(=O)NCc4ccc(Cl)cc4)nc3SC)n2)cc1OC ZINC000046914848 554321484 /nfs/dbraw/zinc/32/14/84/554321484.db2.gz IPELAUJPUYIENJ-UHFFFAOYSA-N 0 0 514.995 3.891 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2nc(SCC)sc2c(=O)n(-c2ccccc2)c1=O ZINC000049004094 554322895 /nfs/dbraw/zinc/32/28/95/554322895.db2.gz VCFRHVKPGZWNTK-UHFFFAOYSA-N 0 0 510.597 3.536 50 0 KHAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1cc(OC)ccc1OC ZINC000049004101 554322863 /nfs/dbraw/zinc/32/28/63/554322863.db2.gz JXXFXIYHQHBZBS-UHFFFAOYSA-N 0 0 512.613 3.685 50 0 KHAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000049004115 554322948 /nfs/dbraw/zinc/32/29/48/554322948.db2.gz LZYOHYMMCXNELO-UHFFFAOYSA-N 0 0 512.613 3.685 50 0 KHAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)N1CCOc2ccc(C)cc21 ZINC000049004117 554322820 /nfs/dbraw/zinc/32/28/20/554322820.db2.gz GXNOSIDXRRNNSO-UHFFFAOYSA-N 0 0 508.625 3.763 50 0 KHAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000049004123 554322804 /nfs/dbraw/zinc/32/28/04/554322804.db2.gz HHKDECWUXBCAJV-UHFFFAOYSA-N 0 0 509.613 3.626 50 0 KHAARN CCSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)NCc1cc(F)cc(F)c1 ZINC000049004129 554322887 /nfs/dbraw/zinc/32/28/87/554322887.db2.gz WPCCGAHKTVIFSY-UHFFFAOYSA-N 0 0 502.568 3.624 50 0 KHAARN COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)cc3Cl)c2=O)cc1OC ZINC000049421568 554323139 /nfs/dbraw/zinc/32/31/39/554323139.db2.gz CEKKXLDXNXTJRZ-UHFFFAOYSA-N 0 0 508.955 3.746 50 0 KHAARN CC(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)c1 ZINC000049421571 554323094 /nfs/dbraw/zinc/32/30/94/554323094.db2.gz ZSAHBDLZIOKZQR-UHFFFAOYSA-N 0 0 517.401 3.902 50 0 KHAARN CC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000049421572 554323113 /nfs/dbraw/zinc/32/31/13/554323113.db2.gz DUNUGINVYKDTCE-UHFFFAOYSA-N 0 0 517.401 3.902 50 0 KHAARN Cc1ccc(CNC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Br)cc3)c2=O)cc1 ZINC000049421573 554323172 /nfs/dbraw/zinc/32/31/72/554323172.db2.gz RSOVICMYCVZJSG-UHFFFAOYSA-N 0 0 503.418 3.685 50 0 KHAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N[C@@H](C)CCc3ccccc3)co1)CC2 ZINC000049543664 554323559 /nfs/dbraw/zinc/32/35/59/554323559.db2.gz YAQZJVRQQZNEIO-FQEVSTJZSA-N 0 0 506.599 3.732 50 0 biogenic KHAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N[C@H](C)CCc3ccccc3)co1)CC2 ZINC000049543667 554323711 /nfs/dbraw/zinc/32/37/11/554323711.db2.gz YAQZJVRQQZNEIO-HXUWFJFHSA-N 0 0 506.599 3.732 50 0 biogenic KHAARN Cc1nc(NC(=O)CN2CCN(c3cc(-c4ccccc4)nc(C)n3)CC2)sc1C(=O)OCC(C)C ZINC000049597426 554323670 /nfs/dbraw/zinc/32/36/70/554323670.db2.gz VVZKWQBRUGVBMK-UHFFFAOYSA-N 0 0 508.648 3.790 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000049605020 554323988 /nfs/dbraw/zinc/32/39/88/554323988.db2.gz DFNKWBQQERRSPM-UHFFFAOYSA-N 0 0 611.775 3.868 50 0 KHAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000049626548 554324183 /nfs/dbraw/zinc/32/41/83/554324183.db2.gz WIBDBSPUEFGQNS-QHCPKHFHSA-N 0 0 561.664 3.931 50 0 KHAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC[C@H]4CCCO4)c3)c3ccccc32)cc1 ZINC000049626550 554324130 /nfs/dbraw/zinc/32/41/30/554324130.db2.gz WIBDBSPUEFGQNS-HSZRJFAPSA-N 0 0 561.664 3.931 50 0 KHAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc5c(C)cc(=O)oc5c4)cc3C2=O)CC1 ZINC000049660761 554324424 /nfs/dbraw/zinc/32/44/24/554324424.db2.gz TWPJVINKPTVTDA-UHFFFAOYSA-N 0 0 503.511 3.571 50 0 KHAARN COc1ccc(CN2CCN(C(=O)c3sc4ncn(Cc5ccccc5F)c(=O)c4c3C)CC2)c(OC)c1OC ZINC000049722875 554324712 /nfs/dbraw/zinc/32/47/12/554324712.db2.gz FFGWAACFRGSMDS-UHFFFAOYSA-N 0 0 566.655 3.938 50 0 KHAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2C)c(C(=O)OCC)c1C ZINC000049723345 554324669 /nfs/dbraw/zinc/32/46/69/554324669.db2.gz WLJMNHRVWKISQG-UHFFFAOYSA-N 0 0 610.114 3.618 50 0 KHAARN O=C(NCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000049807698 554326232 /nfs/dbraw/zinc/32/62/32/554326232.db2.gz DVZBGODQVXXXFP-NOZRDPDXSA-N 0 0 612.708 3.974 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2OC)cc1 ZINC000049918025 554327126 /nfs/dbraw/zinc/32/71/26/554327126.db2.gz BVOFTXLMMQRLLK-UHFFFAOYSA-N 0 0 634.784 3.918 50 0 KHAARN Cc1ccc(/C=C\C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c(Br)c1 ZINC000050647918 1066194100 /nfs/dbraw/zinc/19/41/00/1066194100.db2.gz WZCMFDFUMGCCEG-PLNGDYQASA-N 0 0 509.154 3.885 50 0 KHAARN Cc1cc(-n2c(C)cc(/C=C\C(=O)OCC(=O)Nc3cc4[nH]c(=O)[nH]c4cc3Br)c2C)no1 ZINC000050647936 1066194366 /nfs/dbraw/zinc/19/43/66/1066194366.db2.gz YYVJLRHZBBNRNS-PLNGDYQASA-N 0 0 514.336 3.518 50 0 KHAARN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000050861469 554328139 /nfs/dbraw/zinc/32/81/39/554328139.db2.gz SLMHUDSXLADXNC-UHFFFAOYSA-N 0 0 541.559 4.411 50 0 KHAARN O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 ZINC000051012109 554328603 /nfs/dbraw/zinc/32/86/03/554328603.db2.gz LERUCXZJJQBRNT-BOPFTXTBSA-N 0 0 523.343 3.777 50 0 KHAARN O=C(CN1c2ccccc2/C(=c2/sc3nc4ccccc4n3c2=O)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000051075649 554328817 /nfs/dbraw/zinc/32/88/17/554328817.db2.gz RLHWIZSKTAZBBY-DQRAZIAOSA-N 0 0 520.492 3.831 50 0 KHAARN O=C(CN1c2ccccc2/C(=c2/sc3nc4ccccc4n3c2=O)C1=O)Nc1cccc(Br)c1 ZINC000051075650 554328774 /nfs/dbraw/zinc/32/87/74/554328774.db2.gz NTKPYALRPNUPRU-DQRAZIAOSA-N 0 0 531.391 3.575 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000053287803 554330984 /nfs/dbraw/zinc/33/09/84/554330984.db2.gz FEZHRCBDQYGUFD-LCPUNJGISA-N 0 0 554.422 3.541 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000053287807 554330894 /nfs/dbraw/zinc/33/08/94/554330894.db2.gz FEZHRCBDQYGUFD-GOBJLOIFSA-N 0 0 554.422 3.541 50 0 KHAARN COC(=O)CN(CC(=O)Nc1ccc(C)cc1Br)CC(=O)Nc1ccc(C)cc1Br ZINC000053387485 554348463 /nfs/dbraw/zinc/34/84/63/554348463.db2.gz ZETWALWYYRHHJV-UHFFFAOYSA-N 0 0 541.240 3.881 50 0 KHAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc2cc(C(F)(F)F)ccc12 ZINC000053392361 554348731 /nfs/dbraw/zinc/34/87/31/554348731.db2.gz VTZOVPDHEKADBU-UHFFFAOYSA-N 0 0 521.348 3.755 50 0 KHAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CN1Cc1ccc(OC)cc1OC ZINC000055154609 554350205 /nfs/dbraw/zinc/35/02/05/554350205.db2.gz KUNGUKGQOSTSED-KXBFYZLASA-N 0 0 500.901 3.922 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(C/C(Cl)=C/c3ccccc3)C2)cc1 ZINC000055226693 554350569 /nfs/dbraw/zinc/35/05/69/554350569.db2.gz LBFZVGBJYVMTIY-JPMHHYSOSA-N 0 0 521.104 3.813 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(C/C(Cl)=C/c3ccccc3)C2)cc1 ZINC000055226697 554350575 /nfs/dbraw/zinc/35/05/75/554350575.db2.gz LBFZVGBJYVMTIY-KDJVKKMCSA-N 0 0 521.104 3.813 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3c(F)cccc3Cl)C2)cc1 ZINC000055357692 554350616 /nfs/dbraw/zinc/35/06/16/554350616.db2.gz PJWUTIRFKPBYJA-LDJQZATESA-N 0 0 513.056 3.526 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3c(F)cccc3Cl)C2)cc1 ZINC000055357694 554350603 /nfs/dbraw/zinc/35/06/03/554350603.db2.gz PJWUTIRFKPBYJA-REDKUUPNSA-N 0 0 513.056 3.526 50 0 KHAARN CCOc1cc(CN2C[C@H](NC(=O)c3ccc(Cn4nc(C)cc4C)cc3)C[C@H]2C(=O)OC)ccc1OC ZINC000055575935 1066858836 /nfs/dbraw/zinc/85/88/36/1066858836.db2.gz LKCXJMMVIAIIDM-RPBOFIJWSA-N 0 0 520.630 3.501 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000056895981 554351057 /nfs/dbraw/zinc/35/10/57/554351057.db2.gz MNWQJAWQGLJCOU-UHFFFAOYSA-N 0 0 529.044 3.909 50 0 KHAARN Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)n(CC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000057010920 554351702 /nfs/dbraw/zinc/35/17/02/554351702.db2.gz WLLOYLCQGOXFAA-UHFFFAOYSA-N 0 0 507.594 3.519 50 0 KHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000057058799 554352193 /nfs/dbraw/zinc/35/21/93/554352193.db2.gz LDWKJNLIMNYECA-HNNXBMFYSA-N 0 0 515.408 3.875 50 0 KHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000057058802 554352199 /nfs/dbraw/zinc/35/21/99/554352199.db2.gz LDWKJNLIMNYECA-OAHLLOKOSA-N 0 0 515.408 3.875 50 0 KHAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058839 554352405 /nfs/dbraw/zinc/35/24/05/554352405.db2.gz CWTAYZSOXFWYET-UHFFFAOYSA-N 0 0 520.508 3.751 50 0 KHAARN CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)OCO3 ZINC000057063768 554352245 /nfs/dbraw/zinc/35/22/45/554352245.db2.gz QQPHASRQHWWPLQ-UHFFFAOYSA-N 0 0 518.492 3.853 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000058987054 554371626 /nfs/dbraw/zinc/37/16/26/554371626.db2.gz NLDCBXFOTOHRGE-ZGOFBEGVSA-N 0 0 541.629 3.987 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000058987295 554371591 /nfs/dbraw/zinc/37/15/91/554371591.db2.gz NLDCBXFOTOHRGE-BIWBSIMWSA-N 0 0 541.629 3.987 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NNC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)nc1 ZINC000058987340 1066496767 /nfs/dbraw/zinc/49/67/67/1066496767.db2.gz POCJQCRUQCWMPX-QJOMJCCJSA-N 0 0 505.600 3.565 50 0 KHAARN CC(=O)O[C@@H]1O[C@H](CC(=O)Oc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000059041467 554371714 /nfs/dbraw/zinc/37/17/14/554371714.db2.gz IKXXMPRNIHZCTF-ZYWWQZICSA-N 0 0 504.491 3.721 50 0 KHAARN Cc1cc(Cc2ccc(NC(=O)CSc3nncn3C)c(C)c2)ccc1NC(=O)CSc1nncn1C ZINC000059089666 554372137 /nfs/dbraw/zinc/37/21/37/554372137.db2.gz UEFUFGGLUHYIRF-UHFFFAOYSA-N 0 0 536.687 3.613 50 0 KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101376 554377665 /nfs/dbraw/zinc/37/76/65/554377665.db2.gz QPIFIEZYAYYEKU-AREMUKBSSA-N 0 0 588.068 3.593 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101379 554377790 /nfs/dbraw/zinc/37/77/90/554377790.db2.gz QPIFIEZYAYYEKU-SANMLTNESA-N 0 0 588.068 3.593 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000059101620 554377755 /nfs/dbraw/zinc/37/77/55/554377755.db2.gz RGIIVRQJPZIKDD-DEOSSOPVSA-N 0 0 528.569 3.546 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000059101624 554377809 /nfs/dbraw/zinc/37/78/09/554377809.db2.gz RGIIVRQJPZIKDD-XMMPIXPASA-N 0 0 528.569 3.546 50 0 biogenic KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)N(C)CC3)OCO2 ZINC000059101857 554377960 /nfs/dbraw/zinc/37/79/60/554377960.db2.gz DIIKTZBMELNFSC-AREMUKBSSA-N 0 0 588.068 3.593 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)c1)N(C)CC3)OCO2 ZINC000059101859 554377989 /nfs/dbraw/zinc/37/79/89/554377989.db2.gz DIIKTZBMELNFSC-SANMLTNESA-N 0 0 588.068 3.593 50 0 biogenic KHAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)N(C)CC3)OCO2 ZINC000059101862 554378041 /nfs/dbraw/zinc/37/80/41/554378041.db2.gz NGVRHYNIOCKZEI-NDEPHWFRSA-N 0 0 581.677 3.556 50 0 biogenic KHAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)c1)N(C)CC3)OCO2 ZINC000059101864 554378006 /nfs/dbraw/zinc/37/80/06/554378006.db2.gz NGVRHYNIOCKZEI-MUUNZHRXSA-N 0 0 581.677 3.556 50 0 biogenic KHAARN CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1 ZINC000059101925 554378170 /nfs/dbraw/zinc/37/81/70/554378170.db2.gz WESMEHXDQXJHEJ-DEOSSOPVSA-N 0 0 528.569 3.628 50 0 biogenic KHAARN CCOc1ccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1 ZINC000059101926 554377945 /nfs/dbraw/zinc/37/79/45/554377945.db2.gz WESMEHXDQXJHEJ-XMMPIXPASA-N 0 0 528.569 3.628 50 0 biogenic KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc[nH]c4=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000059103420 554379040 /nfs/dbraw/zinc/37/90/40/554379040.db2.gz IYNGMVFRUKBGNM-OYUWMTPXSA-N 0 0 554.603 3.794 50 0 KHAARN O=C(N[C@H]1CC[C@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000059201371 554384963 /nfs/dbraw/zinc/38/49/63/554384963.db2.gz CGDZXLJGHVKVIE-KXBFYZLASA-N 0 0 566.531 3.686 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(Cl)c(Br)c3)n2C)cc1 ZINC000059211790 554385292 /nfs/dbraw/zinc/38/52/92/554385292.db2.gz UHXFIJOSCMSRLA-UHFFFAOYSA-N 0 0 538.855 3.943 50 0 KHAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000059211886 554385348 /nfs/dbraw/zinc/38/53/48/554385348.db2.gz QGNNWUJIRDWMKH-UHFFFAOYSA-N 0 0 533.533 3.888 50 0 KHAARN COc1cc(Br)cc2cc(C(=O)N3CCN(CCN4C(=O)c5cccc6cccc(c65)C4=O)CC3)c(=O)oc21 ZINC000059222260 554385843 /nfs/dbraw/zinc/38/58/43/554385843.db2.gz YSQPNOUIZZEFAH-UHFFFAOYSA-N 0 0 590.430 3.771 50 0 KHAARN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000059503698 554399600 /nfs/dbraw/zinc/39/96/00/554399600.db2.gz QNZDWDYZBHUZOU-UHFFFAOYSA-N 0 0 564.085 3.579 50 0 KHAARN CCCCNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(Cl)ccc3OC)N2C1=O ZINC000059503721 554399585 /nfs/dbraw/zinc/39/95/85/554399585.db2.gz BIORHZREEIYZHY-LJQANCHMSA-N 0 0 528.034 3.985 50 0 KHAARN CCCCNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(Cl)ccc3OC)N2C1=O ZINC000059503722 554399631 /nfs/dbraw/zinc/39/96/31/554399631.db2.gz BIORHZREEIYZHY-IBGZPJMESA-N 0 0 528.034 3.985 50 0 KHAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 ZINC000059503755 554399822 /nfs/dbraw/zinc/39/98/22/554399822.db2.gz UFSUYQWIZGAFFU-NRFANRHFSA-N 0 0 548.528 3.745 50 0 KHAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1)N1CCN(Cc2ccccc2)CC1 ZINC000059503756 554399829 /nfs/dbraw/zinc/39/98/29/554399829.db2.gz UFSUYQWIZGAFFU-OAQYLSRUSA-N 0 0 548.528 3.745 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059503826 554400331 /nfs/dbraw/zinc/40/03/31/554400331.db2.gz GZQVLGLLROPWPQ-VSGBNLITSA-N 0 0 543.620 3.898 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059503827 554400367 /nfs/dbraw/zinc/40/03/67/554400367.db2.gz GZQVLGLLROPWPQ-IZLXSDGUSA-N 0 0 543.620 3.898 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059503828 554400319 /nfs/dbraw/zinc/40/03/19/554400319.db2.gz GZQVLGLLROPWPQ-WUFINQPMSA-N 0 0 543.620 3.898 50 0 KHAARN CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000059503829 554400274 /nfs/dbraw/zinc/40/02/74/554400274.db2.gz GZQVLGLLROPWPQ-NSOVKSMOSA-N 0 0 543.620 3.898 50 0 KHAARN COc1cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc(OC)c1OC ZINC000059513592 554400685 /nfs/dbraw/zinc/40/06/85/554400685.db2.gz PVVXYLPHUONOGB-UHFFFAOYSA-N 0 0 529.471 3.836 50 0 KHAARN Cc1sc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000059513626 554401052 /nfs/dbraw/zinc/40/10/52/554401052.db2.gz BCUJHXKTLNAFQR-BGYRXZFFSA-N 0 0 556.754 3.914 50 0 KHAARN Cc1sc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000059513627 554401037 /nfs/dbraw/zinc/40/10/37/554401037.db2.gz BCUJHXKTLNAFQR-PMACEKPBSA-N 0 0 556.754 3.914 50 0 KHAARN Cc1sc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000059513628 554401061 /nfs/dbraw/zinc/40/10/61/554401061.db2.gz BCUJHXKTLNAFQR-WOJBJXKFSA-N 0 0 556.754 3.914 50 0 KHAARN COc1cccc(-n2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 ZINC000059514335 554401266 /nfs/dbraw/zinc/40/12/66/554401266.db2.gz RDOWHJDIJOIJRJ-UHFFFAOYSA-N 0 0 540.370 3.579 50 0 KHAARN CCOc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 ZINC000059514526 554401538 /nfs/dbraw/zinc/40/15/38/554401538.db2.gz MPTASMHVZBLQNP-UHFFFAOYSA-N 0 0 532.622 3.646 50 0 KHAARN COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)c4c3=O)sc2c1 ZINC000059514726 554401573 /nfs/dbraw/zinc/40/15/73/554401573.db2.gz NRAKBEMUEXSMNO-OKILXGFUSA-N 0 0 561.711 3.690 50 0 KHAARN COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5C[C@@H](C)C[C@H](C)C5)c4c3=O)sc2c1 ZINC000059514729 554401570 /nfs/dbraw/zinc/40/15/70/554401570.db2.gz NRAKBEMUEXSMNO-KBPBESRZSA-N 0 0 561.711 3.690 50 0 KHAARN COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5C[C@H](C)C[C@@H](C)C5)c4c3=O)sc2c1 ZINC000059514733 554401681 /nfs/dbraw/zinc/40/16/81/554401681.db2.gz NRAKBEMUEXSMNO-ZIAGYGMSSA-N 0 0 561.711 3.690 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000059515086 554402288 /nfs/dbraw/zinc/40/22/88/554402288.db2.gz RQNOPXMHKUPGHV-OKILXGFUSA-N 0 0 531.685 3.681 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000059515087 554402212 /nfs/dbraw/zinc/40/22/12/554402212.db2.gz RQNOPXMHKUPGHV-KBPBESRZSA-N 0 0 531.685 3.681 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3nc4ccccc4s3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000059515088 554402282 /nfs/dbraw/zinc/40/22/82/554402282.db2.gz RQNOPXMHKUPGHV-ZIAGYGMSSA-N 0 0 531.685 3.681 50 0 KHAARN COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000059515137 554402530 /nfs/dbraw/zinc/40/25/30/554402530.db2.gz IYXIJMHMJSAPCW-UHFFFAOYSA-N 0 0 533.528 3.609 50 0 KHAARN CCOc1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc(OCC)c1OCC ZINC000059522596 554403675 /nfs/dbraw/zinc/40/36/75/554403675.db2.gz OGEDEMNRPLBSHS-UHFFFAOYSA-N 0 0 535.580 3.508 50 0 KHAARN CC(=O)c1ccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(C)cc5)nnn4c4ccccc43)CC2)cc1 ZINC000059522911 554403907 /nfs/dbraw/zinc/40/39/07/554403907.db2.gz SFOJQADABOBRFM-UHFFFAOYSA-N 0 0 526.622 3.948 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O ZINC000059523655 554405204 /nfs/dbraw/zinc/40/52/04/554405204.db2.gz PIGABKQIJIRDEX-OKILXGFUSA-N 0 0 539.079 3.734 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2c1=O ZINC000059523660 554405236 /nfs/dbraw/zinc/40/52/36/554405236.db2.gz PIGABKQIJIRDEX-KBPBESRZSA-N 0 0 539.079 3.734 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O ZINC000059523666 554405194 /nfs/dbraw/zinc/40/51/94/554405194.db2.gz PIGABKQIJIRDEX-ZIAGYGMSSA-N 0 0 539.079 3.734 50 0 KHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059523835 554405160 /nfs/dbraw/zinc/40/51/60/554405160.db2.gz RZXZNFKKYNBWHJ-INIZCTEOSA-N 0 0 523.430 3.810 50 0 KHAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000059523839 554405342 /nfs/dbraw/zinc/40/53/42/554405342.db2.gz RZXZNFKKYNBWHJ-MRXNPFEDSA-N 0 0 523.430 3.810 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(N(C)C3=NS(=O)(=O)c4ccccc43)cc2)cc1 ZINC000059524472 554405729 /nfs/dbraw/zinc/40/57/29/554405729.db2.gz MFWPZBGKZCCVHH-UHFFFAOYSA-N 0 0 527.624 3.522 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059524576 554405733 /nfs/dbraw/zinc/40/57/33/554405733.db2.gz JMCFYUZYQROJEZ-FQLXRVMXSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059524577 554405624 /nfs/dbraw/zinc/40/56/24/554405624.db2.gz JMCFYUZYQROJEZ-WDYNHAJCSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059524579 554405699 /nfs/dbraw/zinc/40/56/99/554405699.db2.gz JMCFYUZYQROJEZ-URLMMPGGSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000059524582 554405715 /nfs/dbraw/zinc/40/57/15/554405715.db2.gz JMCFYUZYQROJEZ-VMPREFPWSA-N 0 0 545.636 3.980 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cn3C)CC1 ZINC000059525098 554406260 /nfs/dbraw/zinc/40/62/60/554406260.db2.gz DCJBUWBBICOKSC-GOTSBHOMSA-N 0 0 541.714 3.937 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CC=CCC2)cn3C)CC1 ZINC000059525104 554406119 /nfs/dbraw/zinc/40/61/19/554406119.db2.gz DCJBUWBBICOKSC-PKTZIBPZSA-N 0 0 541.714 3.937 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N(C[C@H]2CCCO2)C[C@H]2CC=CCC2)cn3C)CC1 ZINC000059525106 554406167 /nfs/dbraw/zinc/40/61/67/554406167.db2.gz DCJBUWBBICOKSC-XZOQPEGZSA-N 0 0 541.714 3.937 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N(C[C@H]2CCCO2)C[C@@H]2CC=CCC2)cn3C)CC1 ZINC000059525113 554406255 /nfs/dbraw/zinc/40/62/55/554406255.db2.gz DCJBUWBBICOKSC-DHIUTWEWSA-N 0 0 541.714 3.937 50 0 KHAARN CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5Cl)sc4n3)CC2)cc1 ZINC000059560491 554407063 /nfs/dbraw/zinc/40/70/63/554407063.db2.gz UHDUJXYNHZMHDQ-UHFFFAOYSA-N 0 0 510.019 3.828 50 0 KHAARN COc1ccc([C@H]2C(C(=O)Nc3ccc(I)cc3)=C(C)Nc3nc(CCCO)nn32)cc1OC ZINC000059586840 554407399 /nfs/dbraw/zinc/40/73/99/554407399.db2.gz QSHKVRNFZUAXGP-QFIPXVFZSA-N 0 0 575.407 3.752 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(I)cc3)=C(C)Nc3nc(CCCO)nn32)cc1OC ZINC000059586844 554407419 /nfs/dbraw/zinc/40/74/19/554407419.db2.gz QSHKVRNFZUAXGP-JOCHJYFZSA-N 0 0 575.407 3.752 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000059586942 554407726 /nfs/dbraw/zinc/40/77/26/554407726.db2.gz WNUIYXXJBVBRNI-UHFFFAOYSA-N 0 0 530.046 3.901 50 0 KHAARN CCOC(=O)c1cc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)ccc1Cl ZINC000059587376 554407714 /nfs/dbraw/zinc/40/77/14/554407714.db2.gz RFKHDPXAIWTUQW-UHFFFAOYSA-N 0 0 522.414 3.959 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(F)cc2)cc1OC ZINC000059595764 554408234 /nfs/dbraw/zinc/40/82/34/554408234.db2.gz UOKJDYZAOAGXEO-UHFFFAOYSA-N 0 0 591.683 3.852 50 0 KHAARN COC(=O)C1=CN(Cc2ccc3c(c2)OCO3)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2 ZINC000059596004 554408614 /nfs/dbraw/zinc/40/86/14/554408614.db2.gz KTRHRMTVFMAAJE-UHFFFAOYSA-N 0 0 530.327 3.620 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CN3CCOCC3)n1-c1ccccc1)CCCC2 ZINC000059596354 554408818 /nfs/dbraw/zinc/40/88/18/554408818.db2.gz WCRFVXIQBPGADG-UHFFFAOYSA-N 0 0 541.699 3.947 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)Cc2cccs2)cc1 ZINC000059596546 554408790 /nfs/dbraw/zinc/40/87/90/554408790.db2.gz NYBSFZGFUNBZNW-OAQYLSRUSA-N 0 0 536.635 3.530 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)Cc2cccs2)cc1 ZINC000059596549 554408829 /nfs/dbraw/zinc/40/88/29/554408829.db2.gz NYBSFZGFUNBZNW-NRFANRHFSA-N 0 0 536.635 3.530 50 0 KHAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000059602965 554409375 /nfs/dbraw/zinc/40/93/75/554409375.db2.gz QANWBSLNRZAKBA-UHFFFAOYSA-N 0 0 546.045 3.867 50 0 KHAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000059603045 554409434 /nfs/dbraw/zinc/40/94/34/554409434.db2.gz UQKIYBUVWGNAOZ-UHFFFAOYSA-N 0 0 535.544 3.916 50 0 KHAARN CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc(N3CCOCC3)c3nonc32)c(C(=O)OC)c1C ZINC000059603091 554409334 /nfs/dbraw/zinc/40/93/34/554409334.db2.gz RPIMEEFGNZHWPR-UHFFFAOYSA-N 0 0 532.648 3.507 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059603104 554409429 /nfs/dbraw/zinc/40/94/29/554409429.db2.gz NJVFWWLFMYHDRP-UHFFFAOYSA-N 0 0 586.619 3.510 50 0 KHAARN COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccccc2OC)c1 ZINC000059603140 554409343 /nfs/dbraw/zinc/40/93/43/554409343.db2.gz ISLILPIVKKECGM-UHFFFAOYSA-N 0 0 579.704 3.794 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2)cc1 ZINC000059603152 554409759 /nfs/dbraw/zinc/40/97/59/554409759.db2.gz UWJSQVPILBZZHT-UHFFFAOYSA-N 0 0 543.667 3.704 50 0 KHAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059603157 554409749 /nfs/dbraw/zinc/40/97/49/554409749.db2.gz AZACRMJEINKUFU-UHFFFAOYSA-N 0 0 592.070 3.576 50 0 KHAARN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000059603162 554409715 /nfs/dbraw/zinc/40/97/15/554409715.db2.gz TVJYLCNCDYITHE-UHFFFAOYSA-N 0 0 558.454 3.756 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1 ZINC000059603169 554409685 /nfs/dbraw/zinc/40/96/85/554409685.db2.gz LGLPDPAAQIIUAW-UHFFFAOYSA-N 0 0 561.682 3.568 50 0 KHAARN CCN(CC)C(=O)c1sc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(=O)OC)c1C ZINC000059603177 554409724 /nfs/dbraw/zinc/40/97/24/554409724.db2.gz DRUBZZNSRIXZTK-UHFFFAOYSA-N 0 0 532.688 3.568 50 0 KHAARN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059603280 554409752 /nfs/dbraw/zinc/40/97/52/554409752.db2.gz PZTVREKDMMVVQZ-UHFFFAOYSA-N 0 0 543.667 3.622 50 0 KHAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000059603369 554409649 /nfs/dbraw/zinc/40/96/49/554409649.db2.gz UFJFYNMJADOUHK-UHFFFAOYSA-N 0 0 532.018 3.559 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059603384 554409717 /nfs/dbraw/zinc/40/97/17/554409717.db2.gz DYRRVGXIRGEGIN-UHFFFAOYSA-N 0 0 575.709 3.877 50 0 KHAARN COC(=O)c1cc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl ZINC000059603405 554409885 /nfs/dbraw/zinc/40/98/85/554409885.db2.gz UFPBBTIYFAPPMG-UHFFFAOYSA-N 0 0 579.027 3.995 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C)cc2)cc1OC ZINC000059603470 554409859 /nfs/dbraw/zinc/40/98/59/554409859.db2.gz LVGCNIIRWGKJPS-UHFFFAOYSA-N 0 0 573.693 3.631 50 0 KHAARN CCOc1ccc(N(CC(=O)Nc2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059603490 554409883 /nfs/dbraw/zinc/40/98/83/554409883.db2.gz TZVCCDXPKSMLCH-UHFFFAOYSA-N 0 0 528.583 3.723 50 0 KHAARN CCn1c(CNC(=O)c2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000059603597 554410210 /nfs/dbraw/zinc/41/02/10/554410210.db2.gz RZZORHVASCSGPF-UHFFFAOYSA-N 0 0 539.374 3.703 50 0 KHAARN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 ZINC000059608038 554410458 /nfs/dbraw/zinc/41/04/58/554410458.db2.gz 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/nfs/dbraw/zinc/41/07/57/554410757.db2.gz DCQXFZAURBOJFY-FPTDNZKUSA-N 0 0 590.427 3.841 50 0 KHAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059608156 554410791 /nfs/dbraw/zinc/41/07/91/554410791.db2.gz YHRMSCDQOMUQOP-UHFFFAOYSA-N 0 0 584.503 3.848 50 0 KHAARN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OCC(=O)Nc2ccccc2OC)cc1Br ZINC000059608164 554410809 /nfs/dbraw/zinc/41/08/09/554410809.db2.gz BSTKIBYFLMXEOW-JOCHJYFZSA-N 0 0 564.458 3.840 50 0 KHAARN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(OCC(=O)Nc2ccccc2OC)cc1Br ZINC000059608167 554410764 /nfs/dbraw/zinc/41/07/64/554410764.db2.gz BSTKIBYFLMXEOW-QFIPXVFZSA-N 0 0 564.458 3.840 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c([C@H]3NC(=S)NC(C)=C3C(=O)OC)cc2OC)cc1 ZINC000059608418 554411364 /nfs/dbraw/zinc/41/13/64/554411364.db2.gz YBOPOCDDMGQIAO-JOCHJYFZSA-N 0 0 592.468 3.618 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c([C@@H]3NC(=S)NC(C)=C3C(=O)OC)cc2OC)cc1 ZINC000059608421 554411295 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CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1cccc(C(F)(F)F)c1 ZINC000059620766 1066496530 /nfs/dbraw/zinc/49/65/30/1066496530.db2.gz GTKITVIWJKYYAQ-UHFFFAOYSA-N 0 0 528.487 3.622 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000059620810 554414292 /nfs/dbraw/zinc/41/42/92/554414292.db2.gz APQVBXYXRQHBHU-UHFFFAOYSA-N 0 0 529.640 3.557 50 0 KHAARN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059620863 554414573 /nfs/dbraw/zinc/41/45/73/554414573.db2.gz HWHUGBYOBQKIIE-UHFFFAOYSA-N 0 0 564.085 3.503 50 0 KHAARN Cn1c(CCNC(=O)c2ccc(Br)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000059620868 554414577 /nfs/dbraw/zinc/41/45/77/554414577.db2.gz GLQDNHXJQXTKOH-UHFFFAOYSA-N 0 0 531.461 3.891 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(Br)cc2)n1C ZINC000059620879 554414486 /nfs/dbraw/zinc/41/44/86/554414486.db2.gz NOMRDMVUCIYRDQ-UHFFFAOYSA-N 0 0 538.855 3.943 50 0 KHAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000059620890 554414581 /nfs/dbraw/zinc/41/45/81/554414581.db2.gz ORYVWFNWHSDKLU-UHFFFAOYSA-N 0 0 524.418 3.874 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059620926 554414519 /nfs/dbraw/zinc/41/45/19/554414519.db2.gz BJYQXBSBJARXOS-UHFFFAOYSA-N 0 0 543.667 3.947 50 0 KHAARN CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(Br)cc3)n2C)c1 ZINC000059620928 554414575 /nfs/dbraw/zinc/41/45/75/554414575.db2.gz ACGLWIBHGGEXLT-UHFFFAOYSA-N 0 0 560.474 3.846 50 0 KHAARN Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059620952 554414492 /nfs/dbraw/zinc/41/44/92/554414492.db2.gz WLOPDCYPYVFVLK-UHFFFAOYSA-N 0 0 528.030 3.955 50 0 KHAARN Cn1c(CCNC(=O)c2ccc(F)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000059626457 554414770 /nfs/dbraw/zinc/41/47/70/554414770.db2.gz PKVFGMGETASSMU-UHFFFAOYSA-N 0 0 528.354 3.698 50 0 KHAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000059626540 554414811 /nfs/dbraw/zinc/41/48/11/554414811.db2.gz JJMFZHIVCJTNTF-UHFFFAOYSA-N 0 0 588.752 3.639 50 0 KHAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000059626552 554414827 /nfs/dbraw/zinc/41/48/27/554414827.db2.gz NBCKWEUIJXFQJN-UHFFFAOYSA-N 0 0 562.618 3.686 50 0 KHAARN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059626597 554414890 /nfs/dbraw/zinc/41/48/90/554414890.db2.gz VLVYSSJIUWJJQR-UHFFFAOYSA-N 0 0 528.030 3.955 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1OC ZINC000059626647 554414907 /nfs/dbraw/zinc/41/49/07/554414907.db2.gz HZMITRRUPLAXTP-UHFFFAOYSA-N 0 0 559.666 3.566 50 0 KHAARN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 ZINC000059626691 554415224 /nfs/dbraw/zinc/41/52/24/554415224.db2.gz QFXNBFUPMOVHGE-OAQYLSRUSA-N 0 0 532.391 3.975 50 0 KHAARN 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COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059651213 554418298 /nfs/dbraw/zinc/41/82/98/554418298.db2.gz DQAHSRIMYQPKCY-UHFFFAOYSA-N 0 0 549.045 3.929 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)cc2)cc1 ZINC000059651218 554418252 /nfs/dbraw/zinc/41/82/52/554418252.db2.gz IYXBOLVJSQECLI-UHFFFAOYSA-N 0 0 531.656 3.624 50 0 KHAARN COc1ccc(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000059651251 554418265 /nfs/dbraw/zinc/41/82/65/554418265.db2.gz QLZDTGLBWUANSG-UHFFFAOYSA-N 0 0 546.598 3.572 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059651257 554418314 /nfs/dbraw/zinc/41/83/14/554418314.db2.gz HPTNBPFMUFHRCP-UHFFFAOYSA-N 0 0 558.609 3.732 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)cc2)cc1 ZINC000059651361 554418338 /nfs/dbraw/zinc/41/83/38/554418338.db2.gz DBRYDPCXCSRSEE-UHFFFAOYSA-N 0 0 558.056 3.617 50 0 KHAARN COc1ccc(OC)c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059651467 554418577 /nfs/dbraw/zinc/41/85/77/554418577.db2.gz GNJWCAMQKOTCOB-UHFFFAOYSA-N 0 0 546.598 3.572 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059651471 554418625 /nfs/dbraw/zinc/41/86/25/554418625.db2.gz LWSBNFCEHRZCJQ-UHFFFAOYSA-N 0 0 546.598 3.572 50 0 KHAARN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059651535 554418533 /nfs/dbraw/zinc/41/85/33/554418533.db2.gz HZIUQLJVRXPADE-UHFFFAOYSA-N 0 0 528.030 3.608 50 0 KHAARN CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059651744 554418780 /nfs/dbraw/zinc/41/87/80/554418780.db2.gz IPPHOVCJDDCNKB-UHFFFAOYSA-N 0 0 569.680 3.655 50 0 KHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059651806 554419019 /nfs/dbraw/zinc/41/90/19/554419019.db2.gz WKGKAJKLCIZYJR-UHFFFAOYSA-N 0 0 528.030 3.608 50 0 KHAARN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1 ZINC000059652022 554419339 /nfs/dbraw/zinc/41/93/39/554419339.db2.gz KKPHFQKZVCCUMV-UHFFFAOYSA-N 0 0 558.454 3.756 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2cc(C)cc(C)c2)cc1OC ZINC000059652069 554419315 /nfs/dbraw/zinc/41/93/15/554419315.db2.gz AGHYMPKTBQTBMX-UHFFFAOYSA-N 0 0 537.682 3.860 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(C)cc2)cc1 ZINC000059652093 554419298 /nfs/dbraw/zinc/41/92/98/554419298.db2.gz FLWVXBFODCKXFM-UHFFFAOYSA-N 0 0 537.638 3.700 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059652119 554419289 /nfs/dbraw/zinc/41/92/89/554419289.db2.gz FAOICNLLBPKVLW-UHFFFAOYSA-N 0 0 544.029 3.655 50 0 KHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000059652371 554419849 /nfs/dbraw/zinc/41/98/49/554419849.db2.gz SHPQULPKYBQCHD-UHFFFAOYSA-N 0 0 540.406 3.577 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000059652526 554419794 /nfs/dbraw/zinc/41/97/94/554419794.db2.gz OKTHAQQVADXFOB-UHFFFAOYSA-N 0 0 544.029 3.655 50 0 KHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000059652659 554420059 /nfs/dbraw/zinc/42/00/59/554420059.db2.gz VHNCAWHLJXVHMY-UHFFFAOYSA-N 0 0 540.406 3.577 50 0 KHAARN COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000059654467 554420456 /nfs/dbraw/zinc/42/04/56/554420456.db2.gz JGFQMGXWWILZAU-QFIPXVFZSA-N 0 0 536.610 3.719 50 0 KHAARN COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC ZINC000059654472 554420468 /nfs/dbraw/zinc/42/04/68/554420468.db2.gz JGFQMGXWWILZAU-JOCHJYFZSA-N 0 0 536.610 3.719 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000059690970 554425185 /nfs/dbraw/zinc/42/51/85/554425185.db2.gz GZQQGQIVXHZJHH-UHFFFAOYSA-N 0 0 557.675 3.673 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(C(=O)c4ccco4)CC3)s2)cc1 ZINC000059690975 554425118 /nfs/dbraw/zinc/42/51/18/554425118.db2.gz DJKAFWIWFKCKDS-UHFFFAOYSA-N 0 0 571.702 3.981 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCCN3CCOCC3)s2)cc1 ZINC000059690980 554425131 /nfs/dbraw/zinc/42/51/31/554425131.db2.gz MSXBGPBHJHVORZ-UHFFFAOYSA-N 0 0 556.131 3.905 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(-n3cnnn3)cc2)cc1 ZINC000059691033 554425158 /nfs/dbraw/zinc/42/51/58/554425158.db2.gz UEDYSEQGIWCDLP-UHFFFAOYSA-N 0 0 526.509 3.855 50 0 KHAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2OC)CC1 ZINC000059722852 554426581 /nfs/dbraw/zinc/42/65/81/554426581.db2.gz MACNUTFYCJRHSI-UHFFFAOYSA-N 0 0 607.365 3.602 50 0 KHAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCNC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000059729549 1066503415 /nfs/dbraw/zinc/50/34/15/1066503415.db2.gz DKNBVPDRQKHXOZ-UHFFFAOYSA-N 0 0 592.699 3.603 50 0 KHAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1OC ZINC000059732050 554427060 /nfs/dbraw/zinc/42/70/60/554427060.db2.gz XUOQXQCRWLCFHH-UHFFFAOYSA-N 0 0 586.670 3.602 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2OC)cc1 ZINC000059738484 554427584 /nfs/dbraw/zinc/42/75/84/554427584.db2.gz NHXQKWQWONVAML-UHFFFAOYSA-N 0 0 530.046 3.901 50 0 KHAARN COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059738513 554427628 /nfs/dbraw/zinc/42/76/28/554427628.db2.gz WDFLLGFBXQPSPC-UHFFFAOYSA-N 0 0 530.046 3.901 50 0 KHAARN Cn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br ZINC000059749745 554427874 /nfs/dbraw/zinc/42/78/74/554427874.db2.gz MWWLDVNLAIAOIO-UHFFFAOYSA-N 0 0 516.393 3.621 50 0 KHAARN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2I)CC1 ZINC000059749748 554428016 /nfs/dbraw/zinc/42/80/16/554428016.db2.gz ORZIMNVWKOJAMG-UHFFFAOYSA-N 0 0 536.439 3.723 50 0 KHAARN CCN(CC)C(=O)c1sc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C(=O)OC)c1C ZINC000059758369 554428160 /nfs/dbraw/zinc/42/81/60/554428160.db2.gz KNZLENGGMZNSGK-UHFFFAOYSA-N 0 0 573.162 3.682 50 0 KHAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)N1CCCC1 ZINC000059758373 554428163 /nfs/dbraw/zinc/42/81/63/554428163.db2.gz XEFPTWNKPLSXFC-UHFFFAOYSA-N 0 0 539.585 3.667 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059758381 554428226 /nfs/dbraw/zinc/42/82/26/554428226.db2.gz RDEYELSQNYNHFG-UHFFFAOYSA-N 0 0 573.693 3.712 50 0 KHAARN CCOC(=O)COc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(=O)OC ZINC000059758387 554428479 /nfs/dbraw/zinc/42/84/79/554428479.db2.gz XGPSOPMRCDOVRE-OAQYLSRUSA-N 0 0 562.442 3.609 50 0 KHAARN CCOC(=O)COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(=O)OC ZINC000059758388 554428552 /nfs/dbraw/zinc/42/85/52/554428552.db2.gz XGPSOPMRCDOVRE-NRFANRHFSA-N 0 0 562.442 3.609 50 0 KHAARN O=C(NCCN1CCOCC1)c1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000059766030 554428507 /nfs/dbraw/zinc/42/85/07/554428507.db2.gz RQYUHTLEEFNPDJ-UHFFFAOYSA-N 0 0 548.208 3.912 50 0 KHAARN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 ZINC000059768573 554428570 /nfs/dbraw/zinc/42/85/70/554428570.db2.gz SIKKJHHCAACWON-UHFFFAOYSA-N 0 0 575.734 3.572 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059768615 554428484 /nfs/dbraw/zinc/42/84/84/554428484.db2.gz YFLUKFBKVLAHSE-UHFFFAOYSA-N 0 0 573.693 3.631 50 0 KHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](C)NC(=O)c1ccccc1Br ZINC000059768738 554428537 /nfs/dbraw/zinc/42/85/37/554428537.db2.gz QFXKBFMQIMNPQP-GOSISDBHSA-N 0 0 557.518 3.992 50 0 KHAARN CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](C)NC(=O)c1ccccc1Br ZINC000059768747 554428664 /nfs/dbraw/zinc/42/86/64/554428664.db2.gz QFXKBFMQIMNPQP-SFHVURJKSA-N 0 0 557.518 3.992 50 0 KHAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000059771244 554428644 /nfs/dbraw/zinc/42/86/44/554428644.db2.gz ZNFKYIVDSWPZMP-UHFFFAOYSA-N 0 0 554.012 3.938 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000059771318 554428719 /nfs/dbraw/zinc/42/87/19/554428719.db2.gz VIRIQCGTUXMMEW-UHFFFAOYSA-N 0 0 530.629 3.777 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1OC ZINC000059771543 554428683 /nfs/dbraw/zinc/42/86/83/554428683.db2.gz HZCQGMNAQANVRF-UHFFFAOYSA-N 0 0 530.046 3.901 50 0 KHAARN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059771577 554428669 /nfs/dbraw/zinc/42/86/69/554428669.db2.gz DRFCUFHXBMGSQG-UHFFFAOYSA-N 0 0 529.590 3.817 50 0 KHAARN COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059771732 554428693 /nfs/dbraw/zinc/42/86/93/554428693.db2.gz RVCYJUWTMQGTFJ-UHFFFAOYSA-N 0 0 571.652 3.693 50 0 KHAARN 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CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000059775815 554429122 /nfs/dbraw/zinc/42/91/22/554429122.db2.gz SFZDUPMYOORQNN-UHFFFAOYSA-N 0 0 529.640 3.668 50 0 KHAARN COc1ccc(NC(=O)CSc2nc(SCC(=O)Nc3ccc(OC)cc3)nc(N3CCCC3)n2)cc1 ZINC000059775840 554429132 /nfs/dbraw/zinc/42/91/32/554429132.db2.gz YKAXRWWMVCLPAZ-UHFFFAOYSA-N 0 0 540.671 3.951 50 0 KHAARN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)CC1 ZINC000059775892 554429101 /nfs/dbraw/zinc/42/91/01/554429101.db2.gz YUYRDJUVUOKWKL-UHFFFAOYSA-N 0 0 536.439 3.723 50 0 KHAARN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2)CC1 ZINC000059778002 554429317 /nfs/dbraw/zinc/42/93/17/554429317.db2.gz YZFVACMGZLPFSJ-UHFFFAOYSA-N 0 0 542.830 3.740 50 0 KHAARN CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000059778541 554429339 /nfs/dbraw/zinc/42/93/39/554429339.db2.gz RHURNZXCIKKGCQ-UHFFFAOYSA-N 0 0 541.630 3.541 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2NC1(C)C ZINC000059824359 554431789 /nfs/dbraw/zinc/43/17/89/554431789.db2.gz WESGZSGVSDERCN-UHFFFAOYSA-N 0 0 579.674 3.691 50 0 KHAARN CC[C@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000059826750 1066504469 /nfs/dbraw/zinc/50/44/69/1066504469.db2.gz PNVMBQFUZBIYFM-LJAQVGFWSA-N 0 0 530.533 3.832 50 0 KHAARN CC[C@@]1(c2ccccc2)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000059826753 1066504321 /nfs/dbraw/zinc/50/43/21/1066504321.db2.gz PNVMBQFUZBIYFM-GDLZYMKVSA-N 0 0 530.533 3.832 50 0 KHAARN COc1ccc(CCNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000059829325 554432375 /nfs/dbraw/zinc/43/23/75/554432375.db2.gz HHFXZVIAMYAEEO-UHFFFAOYSA-N 0 0 542.654 3.892 50 0 KHAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059844837 554448319 /nfs/dbraw/zinc/44/83/19/554448319.db2.gz MWFKMERIEAAHSJ-UHFFFAOYSA-N 0 0 573.693 3.712 50 0 KHAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059844851 554448318 /nfs/dbraw/zinc/44/83/18/554448318.db2.gz IXZBPMMPVHRYFS-UHFFFAOYSA-N 0 0 531.631 3.834 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1 ZINC000059844997 554448535 /nfs/dbraw/zinc/44/85/35/554448535.db2.gz ZJZWVGOWJGUXOR-UHFFFAOYSA-N 0 0 541.029 3.980 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000059845024 554448563 /nfs/dbraw/zinc/44/85/63/554448563.db2.gz WHHBYNFEBLPXLC-UHFFFAOYSA-N 0 0 533.956 3.855 50 0 KHAARN O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000059873959 554456621 /nfs/dbraw/zinc/45/66/21/554456621.db2.gz ISEQUZDLJCSFHL-UHFFFAOYSA-N 0 0 560.404 3.763 50 0 KHAARN Cc1cc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)nn1CC(=O)N1CCOCC1 ZINC000059873965 554456607 /nfs/dbraw/zinc/45/66/07/554456607.db2.gz BBNJIGLCUHFHKM-UHFFFAOYSA-N 0 0 547.925 3.685 50 0 KHAARN CCN1CCN(C(=S)c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)CC1 ZINC000059895792 554472374 /nfs/dbraw/zinc/47/23/74/554472374.db2.gz CXCJIXXITVFURC-UHFFFAOYSA-N 0 0 553.466 3.939 50 0 KHAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000059895827 554472367 /nfs/dbraw/zinc/47/23/67/554472367.db2.gz RRXZVGQUXUQKFP-QFIPXVFZSA-N 0 0 554.477 3.696 50 0 KHAARN COc1ccc(NC(=O)c2ccncc2C(=O)N[C@H](C(=O)Nc2ccc(OC)cc2OC)C(C)C)c(OC)c1 ZINC000060045048 554497844 /nfs/dbraw/zinc/49/78/44/554497844.db2.gz AJLQCERKHLBMGN-VWLOTQADSA-N 0 0 536.585 3.761 50 0 KHAARN O=S(=O)(NCCOc1ccccc1)c1cccc2c1cccc2S(=O)(=O)NCCOc1ccccc1 ZINC000060059876 554497754 /nfs/dbraw/zinc/49/77/54/554497754.db2.gz WVWAQKMRFFJBFD-UHFFFAOYSA-N 0 0 526.636 3.554 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180094 554502403 /nfs/dbraw/zinc/50/24/03/554502403.db2.gz HGMLGDJPOQOHFT-KMRXNPHXSA-N 0 0 566.724 3.501 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180095 554502477 /nfs/dbraw/zinc/50/24/77/554502477.db2.gz HGMLGDJPOQOHFT-PIKZIKFNSA-N 0 0 566.724 3.501 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180096 554502410 /nfs/dbraw/zinc/50/24/10/554502410.db2.gz HGMLGDJPOQOHFT-RBTNQOKQSA-N 0 0 566.724 3.501 50 0 KHAARN COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3OC)CC2)cc1OC ZINC000060180097 554502439 /nfs/dbraw/zinc/50/24/39/554502439.db2.gz HGMLGDJPOQOHFT-LYZGTLIUSA-N 0 0 566.724 3.501 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nn32)cc1 ZINC000060209110 554502841 /nfs/dbraw/zinc/50/28/41/554502841.db2.gz NKHHAKZNUFNZDB-UHFFFAOYSA-N 0 0 550.588 3.703 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000060209111 554502750 /nfs/dbraw/zinc/50/27/50/554502750.db2.gz VKPFOOQBTBNLAO-UHFFFAOYSA-N 0 0 550.588 3.703 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nn32)cc1 ZINC000060209112 554502766 /nfs/dbraw/zinc/50/27/66/554502766.db2.gz LJRWEKKOTZDAOV-UHFFFAOYSA-N 0 0 550.588 3.703 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000060209121 554502731 /nfs/dbraw/zinc/50/27/31/554502731.db2.gz HTNNROAIEFXVSN-UHFFFAOYSA-N 0 0 567.480 3.692 50 0 KHAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)c1 ZINC000060263569 554504491 /nfs/dbraw/zinc/50/44/91/554504491.db2.gz CMVDTOKMZSRGEM-UHFFFAOYSA-N 0 0 538.607 3.534 50 0 KHAARN CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)o2)c1 ZINC000060263615 554504432 /nfs/dbraw/zinc/50/44/32/554504432.db2.gz UUCFAFIWTTWBAW-UHFFFAOYSA-N 0 0 532.987 3.847 50 0 KHAARN CCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000060264374 554504472 /nfs/dbraw/zinc/50/44/72/554504472.db2.gz IAHORIFYCFEAIL-PZLTZHMVSA-N 0 0 533.672 3.669 50 0 KHAARN CCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000060264379 554504419 /nfs/dbraw/zinc/50/44/19/554504419.db2.gz IAHORIFYCFEAIL-AUDDJOTCSA-N 0 0 533.672 3.669 50 0 KHAARN CCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000060264383 554504462 /nfs/dbraw/zinc/50/44/62/554504462.db2.gz IAHORIFYCFEAIL-KZIUFBKBSA-N 0 0 533.672 3.669 50 0 KHAARN N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000060298153 1066497431 /nfs/dbraw/zinc/49/74/31/1066497431.db2.gz TZXLYZMGDJIJGP-IJNIDAPUSA-N 0 0 502.490 3.618 50 0 KHAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2cccc(OC)c2)[C@@H](C)C1 ZINC000061925465 554505847 /nfs/dbraw/zinc/50/58/47/554505847.db2.gz YCAOJENIDDZZCH-HNNXBMFYSA-N 0 0 515.408 3.875 50 0 KHAARN COc1ccc(C(=O)NCCC(=O)N[C@@H](CCSC)c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000061997073 554506109 /nfs/dbraw/zinc/50/61/09/554506109.db2.gz MZOQCRPZVPWMGT-SFHVURJKSA-N 0 0 502.568 3.623 50 0 KHAARN COc1ccc(C(=O)NCCC(=O)N[C@H](CCSC)c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000061997074 554506126 /nfs/dbraw/zinc/50/61/26/554506126.db2.gz MZOQCRPZVPWMGT-GOSISDBHSA-N 0 0 502.568 3.623 50 0 KHAARN O=C(c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000062006700 554506383 /nfs/dbraw/zinc/50/63/83/554506383.db2.gz JJCQLJQZHFILOY-UHFFFAOYSA-N 0 0 500.418 3.635 50 0 KHAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000062299538 554506593 /nfs/dbraw/zinc/50/65/93/554506593.db2.gz UHXZHDDBWPEXQU-UHFFFAOYSA-N 0 0 529.044 3.611 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(CSc1nc3ccccc3c(=O)n1-c1ccccc1OC)[nH]c2=O ZINC000062563969 554506884 /nfs/dbraw/zinc/50/68/84/554506884.db2.gz VHZNWJVIAHJMGP-UHFFFAOYSA-N 0 0 500.536 3.710 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(CSc1nnc(CN3CCCCC3)n1-c1ccc(F)cc1)[nH]c2=O ZINC000062563981 554506857 /nfs/dbraw/zinc/50/68/57/554506857.db2.gz YMAZVKMZVFKKLU-UHFFFAOYSA-N 0 0 508.579 3.708 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](c1ccccc1)C(C)C)n(C[C@@H]1CCCO1)c2=O ZINC000062564009 554506872 /nfs/dbraw/zinc/50/68/72/554506872.db2.gz IWCDRNIUEAMHTK-RDPSFJRHSA-N 0 0 509.628 3.968 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](c1ccccc1)C(C)C)n(C[C@@H]1CCCO1)c2=O ZINC000062564013 554506850 /nfs/dbraw/zinc/50/68/50/554506850.db2.gz IWCDRNIUEAMHTK-GBXCKJPGSA-N 0 0 509.628 3.968 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@H](c1ccccc1)C(C)C)n(C[C@H]1CCCO1)c2=O ZINC000062564018 554506866 /nfs/dbraw/zinc/50/68/66/554506866.db2.gz IWCDRNIUEAMHTK-YKSBVNFPSA-N 0 0 509.628 3.968 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@H](c1ccccc1)C(C)C)n(C[C@H]1CCCO1)c2=O ZINC000062564022 554506893 /nfs/dbraw/zinc/50/68/93/554506893.db2.gz IWCDRNIUEAMHTK-HYBUGGRVSA-N 0 0 509.628 3.968 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1ccc3c(c1)CCC3)n(C[C@@H]1CCCO1)c2=O ZINC000062564098 554506845 /nfs/dbraw/zinc/50/68/45/554506845.db2.gz DFZXPZJMBXXOMW-KKSFZXQISA-N 0 0 507.612 3.970 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1ccc3c(c1)CCC3)n(C[C@@H]1CCCO1)c2=O ZINC000062564102 554506896 /nfs/dbraw/zinc/50/68/96/554506896.db2.gz DFZXPZJMBXXOMW-IERDGZPVSA-N 0 0 507.612 3.970 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(S[C@@H](C)C(=O)Nc1ccc3c(c1)CCC3)n(C[C@H]1CCCO1)c2=O ZINC000062564105 554506901 /nfs/dbraw/zinc/50/69/01/554506901.db2.gz DFZXPZJMBXXOMW-HRAATJIYSA-N 0 0 507.612 3.970 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(S[C@H](C)C(=O)Nc1ccc3c(c1)CCC3)n(C[C@H]1CCCO1)c2=O ZINC000062564110 554506831 /nfs/dbraw/zinc/50/68/31/554506831.db2.gz DFZXPZJMBXXOMW-IIBYNOLFSA-N 0 0 507.612 3.970 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccccc3)no2)c1=O ZINC000062728306 554508576 /nfs/dbraw/zinc/50/85/76/554508576.db2.gz ZUGFNLURXUNTTE-UHFFFAOYSA-N 0 0 501.930 3.862 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(Cc2nc(-c3ccccc3)no2)c1=O ZINC000062728309 554508685 /nfs/dbraw/zinc/50/86/85/554508685.db2.gz KIJYVFICWCGYMO-UHFFFAOYSA-N 0 0 501.930 3.862 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3nc(-c4ccccc4)no3)c2=O)c(Cl)c1 ZINC000062728314 554508606 /nfs/dbraw/zinc/50/86/06/554508606.db2.gz VOVHQWWCHFIDAZ-UHFFFAOYSA-N 0 0 501.930 3.862 50 0 KHAARN COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4cccc(C)c4C)c3=O)n2)cc1 ZINC000062728318 554508642 /nfs/dbraw/zinc/50/86/42/554508642.db2.gz UIRWCVLSORXSAE-UHFFFAOYSA-N 0 0 511.538 3.526 50 0 KHAARN COc1ccc(-c2noc(Cn3c(=O)c4ccccc4n(CC(=O)c4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000062728320 554508613 /nfs/dbraw/zinc/50/86/13/554508613.db2.gz CZFAQUIZJIGWRS-UHFFFAOYSA-N 0 0 502.914 3.806 50 0 KHAARN CC(C)Cn1cc(C(=O)NCCN2CCN(c3ccccc3F)CC2)c2c3ccccc3n(C)c2c1=O ZINC000063448247 554508940 /nfs/dbraw/zinc/50/89/40/554508940.db2.gz WMILKIGEMIGHDL-UHFFFAOYSA-N 0 0 503.622 3.840 50 0 KHAARN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000063481267 554509239 /nfs/dbraw/zinc/50/92/39/554509239.db2.gz YXGDFXBUCGNCAG-UHFFFAOYSA-N 0 0 502.036 3.767 50 0 KHAARN Cc1oc(-c2cccc(C)c2)nc1C[S@@](=O)CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063481311 554509351 /nfs/dbraw/zinc/50/93/51/554509351.db2.gz UHLJEZDNRUXJHD-DHUJRADRSA-N 0 0 515.079 3.799 50 0 KHAARN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063481312 554509307 /nfs/dbraw/zinc/50/93/07/554509307.db2.gz UHLJEZDNRUXJHD-PGUFJCEWSA-N 0 0 515.079 3.799 50 0 KHAARN Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063481315 554509328 /nfs/dbraw/zinc/50/93/28/554509328.db2.gz UJSZADWEMCWETG-DHUJRADRSA-N 0 0 515.079 3.799 50 0 KHAARN Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063481317 554509321 /nfs/dbraw/zinc/50/93/21/554509321.db2.gz UJSZADWEMCWETG-PGUFJCEWSA-N 0 0 515.079 3.799 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1 ZINC000063513572 554509649 /nfs/dbraw/zinc/50/96/49/554509649.db2.gz ZTVMXPPOEHYFEP-UHFFFAOYSA-N 0 0 500.068 3.647 50 0 KHAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000063529037 554509643 /nfs/dbraw/zinc/50/96/43/554509643.db2.gz HXWYHUOQHGZAFZ-UHFFFAOYSA-N 0 0 514.099 3.915 50 0 KHAARN COc1ccc(-n2cc(C(=O)NCCN3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)cc1 ZINC000063547513 554509692 /nfs/dbraw/zinc/50/96/92/554509692.db2.gz JIAPHDUINTZKEM-UHFFFAOYSA-N 0 0 500.574 3.690 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H](C)N2CCN(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000063598642 554509932 /nfs/dbraw/zinc/50/99/32/554509932.db2.gz CTBNCYSQMNBVJZ-SFHVURJKSA-N 0 0 500.068 3.818 50 0 KHAARN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5cccc(OC)c5OC)CC4)c3C2=O)cc1 ZINC000064053484 554510479 /nfs/dbraw/zinc/51/04/79/554510479.db2.gz AFJVARUWIJYGLV-UHFFFAOYSA-N 0 0 501.583 3.831 50 0 KHAARN CCOc1cc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC ZINC000064158093 554510802 /nfs/dbraw/zinc/51/08/02/554510802.db2.gz KMBOZISKQBCPEE-RPBOFIJWSA-N 0 0 512.614 3.802 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O)Nc1ccccc1 ZINC000064438501 554510866 /nfs/dbraw/zinc/51/08/66/554510866.db2.gz TYOWHPBQLZJBPB-UHFFFAOYSA-N 0 0 519.001 3.942 50 0 KHAARN Cc1ccc(-c2nc3sc(N(C)CC(=O)N4CCN(c5ncccn5)CC4)nn3c2NC(C)(C)C)cc1 ZINC000064438859 554510872 /nfs/dbraw/zinc/51/08/72/554510872.db2.gz WZFBMHNXQCJEDV-UHFFFAOYSA-N 0 0 519.679 3.552 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1C)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449303 554511075 /nfs/dbraw/zinc/51/10/75/554511075.db2.gz IRYDADDOQHUBQN-UHFFFAOYSA-N 0 0 513.594 3.821 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccccc1F)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449305 554511016 /nfs/dbraw/zinc/51/10/16/554511016.db2.gz PBNKHOCRQRYYBA-UHFFFAOYSA-N 0 0 517.557 3.652 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cccc(F)c1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449308 554511066 /nfs/dbraw/zinc/51/10/66/554511066.db2.gz YJUIGGXVAJOZHW-UHFFFAOYSA-N 0 0 517.557 3.652 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449309 554511100 /nfs/dbraw/zinc/51/11/00/554511100.db2.gz RXPTYQQFUYENHE-UHFFFAOYSA-N 0 0 513.594 3.821 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449312 554510965 /nfs/dbraw/zinc/51/09/65/554510965.db2.gz DDODDFJRLMBAEA-UHFFFAOYSA-N 0 0 517.557 3.652 50 0 KHAARN COc1cc2c(cc1OC)n(Cc1cccc(C)c1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000064449316 554511092 /nfs/dbraw/zinc/51/10/92/554511092.db2.gz CDJOWWRGPBHMAE-UHFFFAOYSA-N 0 0 513.594 3.821 50 0 KHAARN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000064558123 554511773 /nfs/dbraw/zinc/51/17/73/554511773.db2.gz YUGQKJFRVGUWEH-JOCHJYFZSA-N 0 0 507.520 3.529 50 0 KHAARN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000064558125 554511778 /nfs/dbraw/zinc/51/17/78/554511778.db2.gz YUGQKJFRVGUWEH-QFIPXVFZSA-N 0 0 507.520 3.529 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1 ZINC000064566796 554512388 /nfs/dbraw/zinc/51/23/88/554512388.db2.gz MPAGAMVNPHEHQF-UHFFFAOYSA-N 0 0 523.590 3.758 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccc(C)cc3)c3ccccc3)nn2C)C1 ZINC000064566812 554512340 /nfs/dbraw/zinc/51/23/40/554512340.db2.gz HHVDJUMEIBULMU-UHFFFAOYSA-N 0 0 519.627 3.927 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3F)c3ccccc3)nn2C)C1 ZINC000064566831 554512609 /nfs/dbraw/zinc/51/26/09/554512609.db2.gz AIRNKOQDZBMRCA-UHFFFAOYSA-N 0 0 523.590 3.758 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCc2c(c(CN(C(=O)c3ccccc3)c3ccccc3)nn2C)C1 ZINC000064566861 554512696 /nfs/dbraw/zinc/51/26/96/554512696.db2.gz RSSMBWHXYDEGDK-UHFFFAOYSA-N 0 0 505.600 3.619 50 0 KHAARN CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000064622517 554513394 /nfs/dbraw/zinc/51/33/94/554513394.db2.gz PQVIRRHLMOHXRS-UHFFFAOYSA-N 0 0 526.539 3.735 50 0 KHAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCCN4CCOCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703749 554514109 /nfs/dbraw/zinc/51/41/09/554514109.db2.gz MKHMKRYTHBULBT-UHFFFAOYSA-N 0 0 513.712 3.505 50 0 KHAARN CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCCN4CCCC4=O)nn3c2NC(C)(C)C)cc1 ZINC000064703765 554514046 /nfs/dbraw/zinc/51/40/46/554514046.db2.gz RBLKHGQQPZXHSR-UHFFFAOYSA-N 0 0 511.696 3.796 50 0 KHAARN CN(CC(=O)N1CCC2(CC1)OCCO2)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703901 554514353 /nfs/dbraw/zinc/51/43/53/554514353.db2.gz OELCIOKEIZBNIG-UHFFFAOYSA-N 0 0 502.616 3.609 50 0 KHAARN CN(CC(=O)N1CCC2(CC1)OCCO2)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704247 554514590 /nfs/dbraw/zinc/51/45/90/554514590.db2.gz VMPXUBRBRAGFNG-UHFFFAOYSA-N 0 0 502.616 3.609 50 0 KHAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)Nc1ccc(Br)c(C)c1 ZINC000064775063 554515433 /nfs/dbraw/zinc/51/54/33/554515433.db2.gz NGLSEICBRVMSRP-UHFFFAOYSA-N 0 0 524.419 3.640 50 0 KHAARN COc1ccc(CCn2c3nn(Cc4c(F)cccc4Cl)c(=O)n3c3ccsc3c2=O)cc1OC ZINC000064775133 554515425 /nfs/dbraw/zinc/51/54/25/554515425.db2.gz YOHOQXZCCNILSQ-UHFFFAOYSA-N 0 0 514.966 3.973 50 0 KHAARN CCN(CC)c1ccc(NC(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3cccs3)c2=O)c(C)c1 ZINC000064775244 554515820 /nfs/dbraw/zinc/51/58/20/554515820.db2.gz SOTJJIBCXBXETF-UHFFFAOYSA-N 0 0 522.656 3.776 50 0 KHAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)Nc1ccccc1C(F)(F)F ZINC000064775284 554515704 /nfs/dbraw/zinc/51/57/04/554515704.db2.gz CYSOZKNAYNZLGS-UHFFFAOYSA-N 0 0 505.503 3.640 50 0 KHAARN Cc1ccc(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)nn2)cc1 ZINC000064775333 554515718 /nfs/dbraw/zinc/51/57/18/554515718.db2.gz MHHXOSSGQAJXPC-UHFFFAOYSA-N 0 0 533.698 3.800 50 0 KHAARN Cc1ccc(OCC(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000064789743 554515990 /nfs/dbraw/zinc/51/59/90/554515990.db2.gz JYRDVFCQMOAGMB-UHFFFAOYSA-N 0 0 507.568 3.803 50 0 KHAARN Cc1cccc(OCC(=O)N2CCN(c3oc(-c4ccco4)nc3S(=O)(=O)c3ccccc3)CC2)c1 ZINC000064789744 554516011 /nfs/dbraw/zinc/51/60/11/554516011.db2.gz YNCNCLAKNWAUJR-UHFFFAOYSA-N 0 0 507.568 3.803 50 0 KHAARN Cc1ccccc1OCC(=O)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789746 554516041 /nfs/dbraw/zinc/51/60/41/554516041.db2.gz UCYHFDHEVUCLAK-UHFFFAOYSA-N 0 0 507.568 3.803 50 0 KHAARN O=C(COc1ccccc1F)N1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789753 554516003 /nfs/dbraw/zinc/51/60/03/554516003.db2.gz FECOCYRRBSJNTJ-UHFFFAOYSA-N 0 0 511.531 3.634 50 0 KHAARN O=C(COc1ccccc1)N1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000064789771 554515976 /nfs/dbraw/zinc/51/59/76/554515976.db2.gz OXDIJAGPDUAVOP-UHFFFAOYSA-N 0 0 509.609 3.964 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000064789798 554515984 /nfs/dbraw/zinc/51/59/84/554515984.db2.gz APNCSPQPJGHQLO-UHFFFAOYSA-N 0 0 507.568 3.803 50 0 KHAARN Cc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000064792802 554516313 /nfs/dbraw/zinc/51/63/13/554516313.db2.gz AUZSRDYNHFYPRE-HHHXNRCGSA-N 0 0 509.589 3.920 50 0 KHAARN Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000064792804 554516216 /nfs/dbraw/zinc/51/62/16/554516216.db2.gz AUZSRDYNHFYPRE-MHZLTWQESA-N 0 0 509.589 3.920 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CN2c3nnnn3[C@@H](c3ccccc3)C=C2c2ccc(C)cc2)CC1 ZINC000064792806 554516243 /nfs/dbraw/zinc/51/62/43/554516243.db2.gz IIBHYODWCMOCGY-HHHXNRCGSA-N 0 0 521.625 3.789 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CN2c3nnnn3[C@H](c3ccccc3)C=C2c2ccc(C)cc2)CC1 ZINC000064792810 554516249 /nfs/dbraw/zinc/51/62/49/554516249.db2.gz IIBHYODWCMOCGY-MHZLTWQESA-N 0 0 521.625 3.789 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000064815998 554517479 /nfs/dbraw/zinc/51/74/79/554517479.db2.gz CVLCSGLJFZJUCZ-MUUNZHRXSA-N 0 0 500.555 3.891 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000064816000 554517461 /nfs/dbraw/zinc/51/74/61/554517461.db2.gz CVLCSGLJFZJUCZ-NDEPHWFRSA-N 0 0 500.555 3.891 50 0 KHAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064816142 554517482 /nfs/dbraw/zinc/51/74/82/554517482.db2.gz CXMLNRXRGWABHW-MHZLTWQESA-N 0 0 501.518 3.976 50 0 KHAARN CC(=O)Nc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@]2(C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000064816143 554517420 /nfs/dbraw/zinc/51/74/20/554517420.db2.gz CXMLNRXRGWABHW-HHHXNRCGSA-N 0 0 501.518 3.976 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816739 554517459 /nfs/dbraw/zinc/51/74/59/554517459.db2.gz URQXJRVFGMBBRO-UHFFFAOYSA-N 0 0 506.006 3.883 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)cc3)c2=O)c1 ZINC000064838619 554517997 /nfs/dbraw/zinc/51/79/97/554517997.db2.gz DCUUDKLPWRORCK-UHFFFAOYSA-N 0 0 502.976 3.767 50 0 KHAARN COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1OC ZINC000064838734 554517915 /nfs/dbraw/zinc/51/79/15/554517915.db2.gz OBPQGONLXANPRW-UHFFFAOYSA-N 0 0 508.955 3.746 50 0 KHAARN Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 ZINC000064838740 554517904 /nfs/dbraw/zinc/51/79/04/554517904.db2.gz DONVCICBGRIUKY-UHFFFAOYSA-N 0 0 511.344 3.977 50 0 KHAARN Cc1cc(C)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1S(=O)(=O)c1ccc(Br)cc1 ZINC000064838746 554517977 /nfs/dbraw/zinc/51/79/77/554517977.db2.gz JXVIZLCGLKKMPA-UHFFFAOYSA-N 0 0 511.344 3.977 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)cc1 ZINC000064838768 554517929 /nfs/dbraw/zinc/51/79/29/554517929.db2.gz XUHKNUULXFXMCY-UHFFFAOYSA-N 0 0 509.005 3.828 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(Cl)s3)c2=O)c1 ZINC000064838775 554517939 /nfs/dbraw/zinc/51/79/39/554517939.db2.gz UROODOHZAMEGHV-UHFFFAOYSA-N 0 0 509.005 3.828 50 0 KHAARN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000064838815 554517972 /nfs/dbraw/zinc/51/79/72/554517972.db2.gz QXROXFPIQKOWNH-UHFFFAOYSA-N 0 0 510.612 3.906 50 0 KHAARN CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc(-c4onc(C)c4C)ccc3C)CC2)cc1 ZINC000064867212 554519525 /nfs/dbraw/zinc/51/95/25/554519525.db2.gz WSCMKENMNZOVIP-UHFFFAOYSA-N 0 0 509.628 3.982 50 0 KHAARN CCn1c(=O)c(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888412 554519495 /nfs/dbraw/zinc/51/94/95/554519495.db2.gz GEPWIGUGXLZRRJ-UHFFFAOYSA-N 0 0 508.966 3.812 50 0 KHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064941088 554520318 /nfs/dbraw/zinc/52/03/18/554520318.db2.gz KOFDWOHELCXJDM-GOSISDBHSA-N 0 0 500.602 3.997 50 0 KHAARN CCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064941091 554520432 /nfs/dbraw/zinc/52/04/32/554520432.db2.gz KOFDWOHELCXJDM-SFHVURJKSA-N 0 0 500.602 3.997 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000064941142 554520398 /nfs/dbraw/zinc/52/03/98/554520398.db2.gz INMLAJRYRLQQTC-HNNXBMFYSA-N 0 0 510.956 3.837 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000064941147 554520446 /nfs/dbraw/zinc/52/04/46/554520446.db2.gz INMLAJRYRLQQTC-OAHLLOKOSA-N 0 0 510.956 3.837 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000064941162 554520427 /nfs/dbraw/zinc/52/04/27/554520427.db2.gz RBUDLWFKKPIAAE-IBGZPJMESA-N 0 0 512.613 3.924 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)c1nnc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000064941165 554520435 /nfs/dbraw/zinc/52/04/35/554520435.db2.gz RBUDLWFKKPIAAE-LJQANCHMSA-N 0 0 512.613 3.924 50 0 KHAARN O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)N1CCN(Cc2ccccc2)CC1 ZINC000064947365 554520331 /nfs/dbraw/zinc/52/03/31/554520331.db2.gz PZWURDMIOJAXKM-UHFFFAOYSA-N 0 0 500.006 3.974 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000064952993 554520718 /nfs/dbraw/zinc/52/07/18/554520718.db2.gz RRWYQMFGCAWACC-LJAQVGFWSA-N 0 0 517.630 3.541 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000064952995 554520673 /nfs/dbraw/zinc/52/06/73/554520673.db2.gz RRWYQMFGCAWACC-GDLZYMKVSA-N 0 0 517.630 3.541 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953040 554520626 /nfs/dbraw/zinc/52/06/26/554520626.db2.gz QXHAXLKTZBHNGX-MHZLTWQESA-N 0 0 508.022 3.716 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953042 554520610 /nfs/dbraw/zinc/52/06/10/554520610.db2.gz QXHAXLKTZBHNGX-HHHXNRCGSA-N 0 0 508.022 3.716 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953044 554520636 /nfs/dbraw/zinc/52/06/36/554520636.db2.gz KODBVDOVSVQVOP-NDEPHWFRSA-N 0 0 522.049 3.758 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953045 554520711 /nfs/dbraw/zinc/52/07/11/554520711.db2.gz KODBVDOVSVQVOP-MUUNZHRXSA-N 0 0 522.049 3.758 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccc(OCC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953076 554520646 /nfs/dbraw/zinc/52/06/46/554520646.db2.gz YJAFLMMGSDYFHL-NDEPHWFRSA-N 0 0 503.603 3.783 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccc(OCC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953078 554520731 /nfs/dbraw/zinc/52/07/31/554520731.db2.gz YJAFLMMGSDYFHL-MUUNZHRXSA-N 0 0 503.603 3.783 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953167 554520615 /nfs/dbraw/zinc/52/06/15/554520615.db2.gz VHOTWCNPVATUHI-PMERELPUSA-N 0 0 531.657 3.850 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953168 554520651 /nfs/dbraw/zinc/52/06/51/554520651.db2.gz VHOTWCNPVATUHI-SSEXGKCCSA-N 0 0 531.657 3.850 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953175 554520934 /nfs/dbraw/zinc/52/09/34/554520934.db2.gz OGVOEXCINYNLGM-LJAQVGFWSA-N 0 0 501.631 3.625 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953178 554520942 /nfs/dbraw/zinc/52/09/42/554520942.db2.gz OGVOEXCINYNLGM-GDLZYMKVSA-N 0 0 501.631 3.625 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953274 554520897 /nfs/dbraw/zinc/52/08/97/554520897.db2.gz KUAHPMBXDAIWFH-MHZLTWQESA-N 0 0 526.012 3.589 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(Cl)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953277 554520970 /nfs/dbraw/zinc/52/09/70/554520970.db2.gz KUAHPMBXDAIWFH-HHHXNRCGSA-N 0 0 526.012 3.589 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccccc3Cl)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953417 554521173 /nfs/dbraw/zinc/52/11/73/554521173.db2.gz FQGMFOVIQZUEOQ-SANMLTNESA-N 0 0 509.994 3.738 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3ccccc3Cl)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953419 554521149 /nfs/dbraw/zinc/52/11/49/554521149.db2.gz FQGMFOVIQZUEOQ-AREMUKBSSA-N 0 0 509.994 3.738 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953422 554521184 /nfs/dbraw/zinc/52/11/84/554521184.db2.gz QMIGCIWHBYGSMJ-SANMLTNESA-N 0 0 509.994 3.738 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953425 554521206 /nfs/dbraw/zinc/52/12/06/554521206.db2.gz QMIGCIWHBYGSMJ-AREMUKBSSA-N 0 0 509.994 3.738 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3c(C)cccc3C)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953439 554521212 /nfs/dbraw/zinc/52/12/12/554521212.db2.gz UDMGAHMKQNPRGV-NDEPHWFRSA-N 0 0 503.603 3.702 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3c(C)cccc3C)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953441 554521222 /nfs/dbraw/zinc/52/12/22/554521222.db2.gz UDMGAHMKQNPRGV-MUUNZHRXSA-N 0 0 503.603 3.702 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3cc(C)ccc3C)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953453 554521228 /nfs/dbraw/zinc/52/12/28/554521228.db2.gz PXDWANPABKSDEO-NDEPHWFRSA-N 0 0 503.603 3.702 50 0 KHAARN CCCN1C(=O)c2c(C(=O)Nc3cc(C)ccc3C)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953457 554521167 /nfs/dbraw/zinc/52/11/67/554521167.db2.gz PXDWANPABKSDEO-MUUNZHRXSA-N 0 0 503.603 3.702 50 0 KHAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCCc4ccc(Cl)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064953883 554521409 /nfs/dbraw/zinc/52/14/09/554521409.db2.gz SUEKGTHTZHGEQG-NDEPHWFRSA-N 0 0 520.033 3.511 50 0 KHAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCCc4ccc(Cl)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064953885 554521461 /nfs/dbraw/zinc/52/14/61/554521461.db2.gz SUEKGTHTZHGEQG-MUUNZHRXSA-N 0 0 520.033 3.511 50 0 KHAARN Cc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cc4F)c3C(=O)N2C2CC2)cc1 ZINC000064953957 554521561 /nfs/dbraw/zinc/52/15/61/554521561.db2.gz NLXYWVLLQDAUHW-SANMLTNESA-N 0 0 509.969 3.930 50 0 KHAARN Cc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cc4F)c3C(=O)N2C2CC2)cc1 ZINC000064953958 554521572 /nfs/dbraw/zinc/52/15/72/554521572.db2.gz NLXYWVLLQDAUHW-AREMUKBSSA-N 0 0 509.969 3.930 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954076 554521790 /nfs/dbraw/zinc/52/17/90/554521790.db2.gz ZRDJFIUAZFWHIB-SANMLTNESA-N 0 0 509.969 3.930 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954078 554521781 /nfs/dbraw/zinc/52/17/81/554521781.db2.gz ZRDJFIUAZFWHIB-AREMUKBSSA-N 0 0 509.969 3.930 50 0 KHAARN Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c(Cl)c1 ZINC000064954098 554521767 /nfs/dbraw/zinc/52/17/67/554521767.db2.gz YROCNBXNXVSFLS-SANMLTNESA-N 0 0 509.969 3.930 50 0 KHAARN Cc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c(Cl)c1 ZINC000064954101 554521744 /nfs/dbraw/zinc/52/17/44/554521744.db2.gz YROCNBXNXVSFLS-AREMUKBSSA-N 0 0 509.969 3.930 50 0 KHAARN Cc1cc(C)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c(C)c1 ZINC000064954122 554521787 /nfs/dbraw/zinc/52/17/87/554521787.db2.gz UGURDTHTVNTNAC-NDEPHWFRSA-N 0 0 503.578 3.893 50 0 KHAARN Cc1cc(C)c(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c(C)c1 ZINC000064954124 554521796 /nfs/dbraw/zinc/52/17/96/554521796.db2.gz UGURDTHTVNTNAC-MUUNZHRXSA-N 0 0 503.578 3.893 50 0 KHAARN CSc1cccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)c1 ZINC000064954132 554521753 /nfs/dbraw/zinc/52/17/53/554521753.db2.gz GPXQFZLLKHRENN-AREMUKBSSA-N 0 0 507.591 3.690 50 0 KHAARN CSc1cccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)c1 ZINC000064954133 554521805 /nfs/dbraw/zinc/52/18/05/554521805.db2.gz GPXQFZLLKHRENN-SANMLTNESA-N 0 0 507.591 3.690 50 0 KHAARN CCc1cccc(C)c1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954134 554521762 /nfs/dbraw/zinc/52/17/62/554521762.db2.gz SOSVGKVPSHWINJ-NDEPHWFRSA-N 0 0 503.578 3.839 50 0 KHAARN CCc1cccc(C)c1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000064954136 554521809 /nfs/dbraw/zinc/52/18/09/554521809.db2.gz SOSVGKVPSHWINJ-MUUNZHRXSA-N 0 0 503.578 3.839 50 0 KHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccc(F)cc3Cl)c2C(=O)N1C1CC1 ZINC000064954162 554521823 /nfs/dbraw/zinc/52/18/23/554521823.db2.gz DJTQXYBDZUSLHV-RUZDIDTESA-N 0 0 513.932 3.760 50 0 KHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccc(F)cc3Cl)c2C(=O)N1C1CC1 ZINC000064954163 554521815 /nfs/dbraw/zinc/52/18/15/554521815.db2.gz DJTQXYBDZUSLHV-VWLOTQADSA-N 0 0 513.932 3.760 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4ccc(C(C)C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954348 554521950 /nfs/dbraw/zinc/52/19/50/554521950.db2.gz SVLDETMFQZKJMD-LJAQVGFWSA-N 0 0 515.614 3.961 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4ccc(C(C)C)cc4)c3C(=O)N2C2CC2)cc1 ZINC000064954349 554521992 /nfs/dbraw/zinc/52/19/92/554521992.db2.gz SVLDETMFQZKJMD-GDLZYMKVSA-N 0 0 515.614 3.961 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4cccc5c4CCCC5)c3C(=O)N2C2CC2)cc1 ZINC000064954379 554522244 /nfs/dbraw/zinc/52/22/44/554522244.db2.gz GPIARUHCFKLDPN-SSEXGKCCSA-N 0 0 527.625 3.716 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4cccc5c4CCCC5)c3C(=O)N2C2CC2)cc1 ZINC000064954380 554522255 /nfs/dbraw/zinc/52/22/55/554522255.db2.gz GPIARUHCFKLDPN-PMERELPUSA-N 0 0 527.625 3.716 50 0 KHAARN COc1ccccc1CNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3cccc(Cl)c3C)c2C(=O)N1C1CC1 ZINC000064954790 554522421 /nfs/dbraw/zinc/52/24/21/554522421.db2.gz JNJQEZYAAKTCHW-MHZLTWQESA-N 0 0 522.005 3.799 50 0 KHAARN COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3cccc(Cl)c3C)c2C(=O)N1C1CC1 ZINC000064954792 554522436 /nfs/dbraw/zinc/52/24/36/554522436.db2.gz JNJQEZYAAKTCHW-HHHXNRCGSA-N 0 0 522.005 3.799 50 0 KHAARN Cc1cccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3C(=O)N2C2CC2)c1 ZINC000064954999 554522392 /nfs/dbraw/zinc/52/23/92/554522392.db2.gz DSCJUGBUCPHWIE-PMERELPUSA-N 0 0 529.641 3.602 50 0 KHAARN Cc1cccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3C(=O)N2C2CC2)c1 ZINC000064955000 554522403 /nfs/dbraw/zinc/52/24/03/554522403.db2.gz DSCJUGBUCPHWIE-SSEXGKCCSA-N 0 0 529.641 3.602 50 0 KHAARN CN(Cc1ccccc1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1Cl)C2 ZINC000064955016 554522366 /nfs/dbraw/zinc/52/23/66/554522366.db2.gz GKLQPMCUAZOTDS-HHHXNRCGSA-N 0 0 506.006 3.502 50 0 KHAARN CN(Cc1ccccc1)C(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1Cl)C2 ZINC000064955019 554522369 /nfs/dbraw/zinc/52/23/69/554522369.db2.gz GKLQPMCUAZOTDS-MHZLTWQESA-N 0 0 506.006 3.502 50 0 KHAARN C[C@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1 ZINC000064955050 554522668 /nfs/dbraw/zinc/52/26/68/554522668.db2.gz HWODBMMBFZCPCZ-MUUNZHRXSA-N 0 0 520.033 3.592 50 0 KHAARN C[C@@]1(C(=O)NCc2ccccc2Cl)Cn2cnc(C(=O)NCCCc3ccccc3)c2C(=O)N1C1CC1 ZINC000064955052 554522672 /nfs/dbraw/zinc/52/26/72/554522672.db2.gz HWODBMMBFZCPCZ-NDEPHWFRSA-N 0 0 520.033 3.592 50 0 KHAARN CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000064955140 554522636 /nfs/dbraw/zinc/52/26/36/554522636.db2.gz GDLMKPVNVGITCG-NDEPHWFRSA-N 0 0 520.033 3.722 50 0 KHAARN CCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000064955142 554522662 /nfs/dbraw/zinc/52/26/62/554522662.db2.gz GDLMKPVNVGITCG-MUUNZHRXSA-N 0 0 520.033 3.722 50 0 KHAARN CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)c(C)o2)cc1 ZINC000064956263 554522665 /nfs/dbraw/zinc/52/26/65/554522665.db2.gz FRVJRVGKDYNDNK-UHFFFAOYSA-N 0 0 501.605 3.572 50 0 KHAARN CCOc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(OC)ccc4OC)CC3)c(C)o2)cc1 ZINC000064956267 554522639 /nfs/dbraw/zinc/52/26/39/554522639.db2.gz ZXAUJMMVHYUKGA-UHFFFAOYSA-N 0 0 501.605 3.572 50 0 KHAARN COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(C)o1 ZINC000064956310 554522666 /nfs/dbraw/zinc/52/26/66/554522666.db2.gz KTHMATBXGUUBBH-UHFFFAOYSA-N 0 0 506.422 3.928 50 0 KHAARN COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)o1 ZINC000064956311 554522657 /nfs/dbraw/zinc/52/26/57/554522657.db2.gz VOIWJWRVHNLJED-UHFFFAOYSA-N 0 0 512.451 3.989 50 0 KHAARN COc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c(C)o2)cc1 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/nfs/dbraw/zinc/52/68/84/554526884.db2.gz GYBRRIGYTXAMHQ-UHFFFAOYSA-N 0 0 523.680 3.977 50 0 KHAARN CCOC(=O)C1=C(CNc2ccc(I)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000066089585 554527986 /nfs/dbraw/zinc/52/79/86/554527986.db2.gz VCPKSVNIHCMZJG-LJQANCHMSA-N 0 0 507.328 3.583 50 0 KHAARN CCOC(=O)C1=C(CNc2ccc(I)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000066089587 554527965 /nfs/dbraw/zinc/52/79/65/554527965.db2.gz VCPKSVNIHCMZJG-IBGZPJMESA-N 0 0 507.328 3.583 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000066089756 554527907 /nfs/dbraw/zinc/52/79/07/554527907.db2.gz IYKBGEWKXQDVPL-INIZCTEOSA-N 0 0 518.975 3.962 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000066089758 554527893 /nfs/dbraw/zinc/52/78/93/554527893.db2.gz IYKBGEWKXQDVPL-MRXNPFEDSA-N 0 0 518.975 3.962 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@H]2c1cc2c(c(OC)c1)OCO2 ZINC000066089760 554527842 /nfs/dbraw/zinc/52/78/42/554527842.db2.gz 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ZINC000067337013 554530740 /nfs/dbraw/zinc/53/07/40/554530740.db2.gz IYHCKJGXBMRPKY-UHFFFAOYSA-N 0 0 517.696 3.607 50 0 KHAARN CC(C)N(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000067337117 554530769 /nfs/dbraw/zinc/53/07/69/554530769.db2.gz FYXRUSBOYYLZAW-UHFFFAOYSA-N 0 0 516.067 3.635 50 0 KHAARN Cn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337164 554531075 /nfs/dbraw/zinc/53/10/75/554531075.db2.gz NUBBIRNANZUEIB-UHFFFAOYSA-N 0 0 526.062 3.514 50 0 KHAARN CCn1cc(C(=O)N(CC(C)C)CC(C)C)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337250 554531065 /nfs/dbraw/zinc/53/10/65/554531065.db2.gz LRUUDPLKXQOROV-UHFFFAOYSA-N 0 0 510.104 3.822 50 0 KHAARN CCN(Cc1ccccc1)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000067337259 554531024 /nfs/dbraw/zinc/53/10/24/554531024.db2.gz ADPXLEVEFVXAFS-UHFFFAOYSA-N 0 0 516.067 3.730 50 0 KHAARN CCCn1cc(C(=O)N(C)C2CCCCC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337343 554531080 /nfs/dbraw/zinc/53/10/80/554531080.db2.gz RYTJWXHZVGGVJN-UHFFFAOYSA-N 0 0 508.088 3.862 50 0 KHAARN CCCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337367 554531091 /nfs/dbraw/zinc/53/10/91/554531091.db2.gz LDWRHPKOZNMNHX-UHFFFAOYSA-N 0 0 528.078 3.656 50 0 KHAARN CCN(Cc1ccccc1)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000067337459 554531323 /nfs/dbraw/zinc/53/13/23/554531323.db2.gz AXBKZJZRBKTYHY-UHFFFAOYSA-N 0 0 509.676 3.693 50 0 KHAARN CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000067337478 554531284 /nfs/dbraw/zinc/53/12/84/554531284.db2.gz GCOGRSCDGXNJIY-UHFFFAOYSA-N 0 0 533.698 3.960 50 0 KHAARN Cn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337518 554531278 /nfs/dbraw/zinc/53/12/78/554531278.db2.gz NGPLUTIQXFOQOL-UHFFFAOYSA-N 0 0 526.062 3.514 50 0 KHAARN CCN(Cc1ccccc1)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000067337526 554531315 /nfs/dbraw/zinc/53/13/15/554531315.db2.gz NPCWGZYPXWVASU-UHFFFAOYSA-N 0 0 516.067 3.730 50 0 KHAARN CCCn1cc(C(=O)N(C)Cc2ccccc2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337591 554531531 /nfs/dbraw/zinc/53/15/31/554531531.db2.gz OOOJLJWCJJGMHX-UHFFFAOYSA-N 0 0 516.067 3.730 50 0 KHAARN CC(C)N(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000067337695 554531539 /nfs/dbraw/zinc/53/15/39/554531539.db2.gz RSJHLDOXHWJSKE-UHFFFAOYSA-N 0 0 516.067 3.635 50 0 KHAARN Cn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337726 554531601 /nfs/dbraw/zinc/53/16/01/554531601.db2.gz MOPYIRWBJSSSCV-UHFFFAOYSA-N 0 0 526.062 3.514 50 0 KHAARN CCCn1cc(C(=O)N(C)C2CCCCC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337789 554531563 /nfs/dbraw/zinc/53/15/63/554531563.db2.gz DMFBHLLDBHFABH-UHFFFAOYSA-N 0 0 508.088 3.862 50 0 KHAARN CCCn1cc(C(=O)N(C)Cc2ccccc2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337793 554531527 /nfs/dbraw/zinc/53/15/27/554531527.db2.gz ZQUWHYJZYGFOKK-UHFFFAOYSA-N 0 0 516.067 3.730 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(CC(C)C)CC(C)C)CC1 ZINC000067337891 554532017 /nfs/dbraw/zinc/53/20/17/554532017.db2.gz SNBKXQXUFQUXCQ-UHFFFAOYSA-N 0 0 510.104 3.647 50 0 KHAARN CCN(Cc1ccccc1)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000067337900 554531967 /nfs/dbraw/zinc/53/19/67/554531967.db2.gz OWZLYTNPSFXZKH-UHFFFAOYSA-N 0 0 516.067 3.555 50 0 KHAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000067337904 554531859 /nfs/dbraw/zinc/53/18/59/554531859.db2.gz SUYODCNWVCRDHK-UHFFFAOYSA-N 0 0 530.094 3.944 50 0 KHAARN CCCCN(CCCC)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000067337971 554531919 /nfs/dbraw/zinc/53/19/19/554531919.db2.gz WQOOQUYSTOEPJO-UHFFFAOYSA-N 0 0 510.104 3.935 50 0 KHAARN CCn1cc(C(=O)N(C)C2CCCCC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067337992 554531953 /nfs/dbraw/zinc/53/19/53/554531953.db2.gz RLMSNFXFDCUDQJ-UHFFFAOYSA-N 0 0 508.088 3.780 50 0 KHAARN CCn1cc(C(=O)N(C)Cc2ccccc2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067337997 554531855 /nfs/dbraw/zinc/53/18/55/554531855.db2.gz UQXIYSWORXRQAZ-UHFFFAOYSA-N 0 0 516.067 3.648 50 0 KHAARN CCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067338014 554531892 /nfs/dbraw/zinc/53/18/92/554531892.db2.gz YXAMKGZFPCOFHR-UHFFFAOYSA-N 0 0 528.078 3.574 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1C ZINC000067338179 554532251 /nfs/dbraw/zinc/53/22/51/554532251.db2.gz VSYQZFXREAXKOO-UHFFFAOYSA-N 0 0 506.003 3.593 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1C ZINC000067338181 554532198 /nfs/dbraw/zinc/53/21/98/554532198.db2.gz MWMVJVGJXOHQGY-UHFFFAOYSA-N 0 0 521.565 3.819 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000067338185 554532154 /nfs/dbraw/zinc/53/21/54/554532154.db2.gz REENQKOXEMBFOC-UHFFFAOYSA-N 0 0 521.565 3.819 50 0 KHAARN Cc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000067338189 554532145 /nfs/dbraw/zinc/53/21/45/554532145.db2.gz KJROOXQLGSMZTA-UHFFFAOYSA-N 0 0 502.040 3.762 50 0 KHAARN CCn1cc(C(=O)N(CC(C)C)CC(C)C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338210 554532151 /nfs/dbraw/zinc/53/21/51/554532151.db2.gz OZKQEOMLNUZDGW-UHFFFAOYSA-N 0 0 503.713 3.785 50 0 KHAARN CCOc1ccc(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067338253 554532134 /nfs/dbraw/zinc/53/21/34/554532134.db2.gz RXESZPHKBJMFTM-UHFFFAOYSA-N 0 0 511.648 3.682 50 0 KHAARN CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338291 554532445 /nfs/dbraw/zinc/53/24/45/554532445.db2.gz YMDPLESZIARIOF-UHFFFAOYSA-N 0 0 503.575 3.561 50 0 KHAARN CCn1cc(C(=O)Nc2cc(F)cc(F)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338294 554532555 /nfs/dbraw/zinc/53/25/55/554532555.db2.gz SPDMZVMLCZIYJB-UHFFFAOYSA-N 0 0 503.575 3.561 50 0 KHAARN CCn1cc(C(=O)Nc2cccc(Cl)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338299 554532510 /nfs/dbraw/zinc/53/25/10/554532510.db2.gz QSRFQTLVGBNKRB-UHFFFAOYSA-N 0 0 502.040 3.936 50 0 KHAARN CCn1cc(C(=O)Nc2ccc(Cl)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338305 554532474 /nfs/dbraw/zinc/53/24/74/554532474.db2.gz QCARKUQBXYBJMM-UHFFFAOYSA-N 0 0 502.040 3.936 50 0 KHAARN CCN(Cc1ccccc1)C(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338317 554532479 /nfs/dbraw/zinc/53/24/79/554532479.db2.gz BWAYFEBBAPDWHV-UHFFFAOYSA-N 0 0 509.676 3.693 50 0 KHAARN CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338371 554532534 /nfs/dbraw/zinc/53/25/34/554532534.db2.gz NLSMALVSKGBBMV-UHFFFAOYSA-N 0 0 533.698 3.960 50 0 KHAARN CCn1cc(C(=O)NC2CCCCCCC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338485 554532439 /nfs/dbraw/zinc/53/24/39/554532439.db2.gz GFUNMDFQUUHHHC-UHFFFAOYSA-N 0 0 501.697 3.873 50 0 KHAARN CCc1ccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067338504 554532427 /nfs/dbraw/zinc/53/24/27/554532427.db2.gz ZDCYVJAZXFWABZ-UHFFFAOYSA-N 0 0 509.676 3.523 50 0 KHAARN CCn1cc(C(=O)NCc2ccc(SC)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338530 554532703 /nfs/dbraw/zinc/53/27/03/554532703.db2.gz LFDKYIHZVKXFKH-UHFFFAOYSA-N 0 0 527.716 3.683 50 0 KHAARN CCn1cc(C(=O)NCc2ccccc2Cl)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338546 554532825 /nfs/dbraw/zinc/53/28/25/554532825.db2.gz SACMJLNRBPEMGF-UHFFFAOYSA-N 0 0 516.067 3.614 50 0 KHAARN CCn1cc(C(=O)NCc2cccc(Cl)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338548 554532729 /nfs/dbraw/zinc/53/27/29/554532729.db2.gz DNNNHNQEAPWTJE-UHFFFAOYSA-N 0 0 516.067 3.614 50 0 KHAARN CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338550 554532690 /nfs/dbraw/zinc/53/26/90/554532690.db2.gz VQOJGIHTZBDBGC-UHFFFAOYSA-N 0 0 516.067 3.614 50 0 KHAARN CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338563 554532822 /nfs/dbraw/zinc/53/28/22/554532822.db2.gz VROOBJOJHSEEDX-FQEVSTJZSA-N 0 0 513.639 3.661 50 0 KHAARN CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338565 554532756 /nfs/dbraw/zinc/53/27/56/554532756.db2.gz VROOBJOJHSEEDX-HXUWFJFHSA-N 0 0 513.639 3.661 50 0 KHAARN O=C1c2cccc(N3CCN(Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000067447190 554532765 /nfs/dbraw/zinc/53/27/65/554532765.db2.gz CGTBZMQLPFVBMX-NRFANRHFSA-N 0 0 506.006 3.827 50 0 KHAARN O=C1c2cccc(N3CCN(Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000067447191 554532696 /nfs/dbraw/zinc/53/26/96/554532696.db2.gz CGTBZMQLPFVBMX-OAQYLSRUSA-N 0 0 506.006 3.827 50 0 KHAARN CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C ZINC000067665366 554533567 /nfs/dbraw/zinc/53/35/67/554533567.db2.gz IJHZGLLGELSZAF-OKLSWEBGSA-N 0 0 537.654 3.659 50 0 in-vitro KHAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1cc2c(cc1Cl)OCO2 ZINC000067787866 1066859058 /nfs/dbraw/zinc/85/90/58/1066859058.db2.gz UGKWEIYCSRXIGR-GGAORHGYSA-N 0 0 516.989 3.777 50 0 KHAARN CC(C)OC(=O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1 ZINC000068204862 562715981 /nfs/dbraw/zinc/71/59/81/562715981.db2.gz NVPXUFQLKWKBHK-UHFFFAOYSA-N 0 0 520.611 3.989 50 0 in-man KHAARN COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000068249103 554538693 /nfs/dbraw/zinc/53/86/93/554538693.db2.gz CMJCXYNUCSMDBY-ZDUSSCGKSA-N 0 0 540.021 3.908 50 0 world KHAARN Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2 ZINC000068250876 554538768 /nfs/dbraw/zinc/53/87/68/554538768.db2.gz IRGGXYIIIARJBD-UHFFFAOYSA-N 0 0 509.920 3.783 50 0 in-vivo KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000068704934 553593159 /nfs/dbraw/zinc/59/31/59/553593159.db2.gz RLDUYGSOCGOJTP-ZONZVBGPSA-N 0 0 656.473 3.816 50 0 KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000068704935 553593222 /nfs/dbraw/zinc/59/32/22/553593222.db2.gz RLDUYGSOCGOJTP-OYUWMTPXSA-N 0 0 656.473 3.816 50 0 KHAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665985 553597521 /nfs/dbraw/zinc/59/75/21/553597521.db2.gz HLBDEIQKPVIENA-KRZJEZTLSA-N 0 0 602.976 3.575 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000070669796 553598830 /nfs/dbraw/zinc/59/88/30/553598830.db2.gz LQJFJWAUQYLCIP-SYHBSSCQSA-N 0 0 503.551 3.773 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000070669797 553598807 /nfs/dbraw/zinc/59/88/07/553598807.db2.gz LQJFJWAUQYLCIP-YEPDLNCFSA-N 0 0 503.551 3.773 50 0 biogenic KHAARN CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000070669822 553598929 /nfs/dbraw/zinc/59/89/29/553598929.db2.gz FFXRJMBKRMFLEQ-SQJKUQPUSA-N 0 0 568.674 3.741 50 0 biogenic KHAARN O=C(N[C@@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1)OCC(Cl)(Cl)Cl ZINC000070670015 553599717 /nfs/dbraw/zinc/59/97/17/553599717.db2.gz XMEBXXLUCWHXEB-SOXBMFEASA-N 0 0 532.804 3.868 50 0 biogenic KHAARN O=C(N[C@@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1)OCC(Cl)(Cl)Cl ZINC000070670016 553599778 /nfs/dbraw/zinc/59/97/78/553599778.db2.gz XMEBXXLUCWHXEB-UFOPBENGSA-N 0 0 532.804 3.868 50 0 biogenic KHAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@@H](C(=O)Oc4ccc(C(C)=O)cc4)[C@H]3C2=O)cc1 ZINC000070672481 553602372 /nfs/dbraw/zinc/60/23/72/553602372.db2.gz QGBULTMKWYSGPO-LAJGZZDBSA-N 0 0 536.540 3.810 50 0 biogenic KHAARN COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)N2CC(=O)N3[C@@H](Cc4c5ccccc5[nH]c4C3(C)C)C2=O)cc1 ZINC000070672496 553602434 /nfs/dbraw/zinc/60/24/34/553602434.db2.gz VFAMXXXCIPXUHZ-SANMLTNESA-N 0 0 566.614 3.914 50 0 biogenic KHAARN CC(=O)c1ccc(OC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000070672700 553602732 /nfs/dbraw/zinc/60/27/32/553602732.db2.gz NBDQXFCQFCHTCC-QWMXJGQVSA-N 0 0 536.540 3.656 50 0 biogenic KHAARN CC(=O)c1ccc(OC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000070672777 553602767 /nfs/dbraw/zinc/60/27/67/553602767.db2.gz UZSYSIGWKIAMGI-DQTXXJETSA-N 0 0 522.513 3.613 50 0 biogenic KHAARN COc1ccc2c(c1)[C@@H]1CN(C(=O)CN3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000070672904 553603033 /nfs/dbraw/zinc/60/30/33/553603033.db2.gz RQHUJPUEXQLHJP-ZXRKZBAXSA-N 0 0 536.632 3.701 50 0 biogenic KHAARN COc1ccc2c(c1)[C@@H]1CN(C(=O)CN3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@H]1N2 ZINC000070672911 553603071 /nfs/dbraw/zinc/60/30/71/553603071.db2.gz RQHUJPUEXQLHJP-MKYKQAKUSA-N 0 0 536.632 3.701 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]23)C1O ZINC000070673784 553604123 /nfs/dbraw/zinc/60/41/23/553604123.db2.gz PUXCXRWWPBMBRJ-YIPNQBBMSA-N 0 0 536.540 3.671 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCc3cnc(C)c(N)c3OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070673872 553604047 /nfs/dbraw/zinc/60/40/47/553604047.db2.gz DSTNQGFRWGLCRL-NRFANRHFSA-N 0 0 534.613 3.769 50 0 biogenic KHAARN COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070680578 553604380 /nfs/dbraw/zinc/60/43/80/553604380.db2.gz XDQUSFYHTMYCCS-KZZMTEEBSA-N 0 0 553.571 3.658 50 0 biogenic KHAARN COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070680948 553604915 /nfs/dbraw/zinc/60/49/15/553604915.db2.gz MFFWVKSFQVTJRR-DQEYMECFSA-N 0 0 560.736 3.630 50 0 biogenic KHAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 ZINC000070681028 553604904 /nfs/dbraw/zinc/60/49/04/553604904.db2.gz NSWSGNITGCFGPU-ZEQRLZLVSA-N 0 0 548.700 3.761 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(C)cc2)C(C)C)CC1 ZINC000070686447 553605319 /nfs/dbraw/zinc/60/53/19/553605319.db2.gz ZMTBRYUVCMFZBK-ZEQRLZLVSA-N 0 0 562.777 3.637 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)CC1 ZINC000070686468 553605352 /nfs/dbraw/zinc/60/53/52/553605352.db2.gz LMLPKTWLPPEEML-VXKWHMMOSA-N 0 0 552.713 3.790 50 0 biogenic KHAARN C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)Nc1ccc(F)cc1 ZINC000070686519 553605328 /nfs/dbraw/zinc/60/53/28/553605328.db2.gz VYGFDHBCFPESKQ-CYFREDJKSA-N 0 0 540.636 3.644 50 0 biogenic KHAARN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000070686720 553605666 /nfs/dbraw/zinc/60/56/66/553605666.db2.gz BHJYICFZGHLIDA-NSOVKSMOSA-N 0 0 576.738 3.977 50 0 biogenic KHAARN COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000070686786 553605533 /nfs/dbraw/zinc/60/55/33/553605533.db2.gz UMCLUZSHVHVGKF-NSOVKSMOSA-N 0 0 592.737 3.677 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000070686890 553605899 /nfs/dbraw/zinc/60/58/99/553605899.db2.gz SMQBGCVLPNFXKE-QYOOZWMWSA-N 0 0 522.513 3.600 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]23)C1O ZINC000070686892 553605884 /nfs/dbraw/zinc/60/58/84/553605884.db2.gz SMQBGCVLPNFXKE-QUMGSSFMSA-N 0 0 522.513 3.600 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(C)cc2)C(C)C)CC1 ZINC000070686895 553605874 /nfs/dbraw/zinc/60/58/74/553605874.db2.gz TVYZPYLQDLTYIJ-GOTSBHOMSA-N 0 0 548.750 3.959 50 0 biogenic KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000070686901 553605825 /nfs/dbraw/zinc/60/58/25/553605825.db2.gz KLMGHKMBQIGELN-XUJYPJAKSA-N 0 0 522.513 3.585 50 0 biogenic KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000070686906 553605848 /nfs/dbraw/zinc/60/58/48/553605848.db2.gz KLMGHKMBQIGELN-YAOOYPAMSA-N 0 0 522.513 3.585 50 0 biogenic KHAARN COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000070686925 553605925 /nfs/dbraw/zinc/60/59/25/553605925.db2.gz LWOPYPAHDRKFGE-ZCYQVOJMSA-N 0 0 560.736 3.630 50 0 biogenic KHAARN O=C(C1=C2C(O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12)c1ccc2c(c1)OCO2 ZINC000070686988 553605903 /nfs/dbraw/zinc/60/59/03/553605903.db2.gz OBRSQMGKGLVSLE-QYOOZWMWSA-N 0 0 508.486 3.542 50 0 biogenic KHAARN CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(F)cc2)CC1 ZINC000070687000 553605868 /nfs/dbraw/zinc/60/58/68/553605868.db2.gz FOLLZYYVVXVPAD-VWLOTQADSA-N 0 0 565.646 3.736 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2)CC1 ZINC000070687123 553606134 /nfs/dbraw/zinc/60/61/34/553606134.db2.gz BPHSEIZLGUTRAA-GOTSBHOMSA-N 0 0 546.734 3.810 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000070687169 553606146 /nfs/dbraw/zinc/60/61/46/553606146.db2.gz FPFNDEGKUBSFTE-URXFXBBRSA-N 0 0 578.776 3.968 50 0 biogenic KHAARN C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000070687199 553606389 /nfs/dbraw/zinc/60/63/89/553606389.db2.gz CTLFASWHBWETEJ-MCEYFSPLSA-N 0 0 550.700 3.743 50 0 biogenic KHAARN C[C@@H](NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000070687203 553606375 /nfs/dbraw/zinc/60/63/75/553606375.db2.gz CTLFASWHBWETEJ-UFPGJGBJSA-N 0 0 550.700 3.743 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000070687289 553606404 /nfs/dbraw/zinc/60/64/04/553606404.db2.gz WYIJNPKMUJEXLH-SANMLTNESA-N 0 0 591.709 3.914 50 0 biogenic KHAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000070687565 553607004 /nfs/dbraw/zinc/60/70/04/553607004.db2.gz AXGXCIZIBKOWSW-IDISGSTGSA-N 0 0 575.710 3.836 50 0 biogenic KHAARN C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000070687569 553606935 /nfs/dbraw/zinc/60/69/35/553606935.db2.gz AXGXCIZIBKOWSW-ZBLYBZFDSA-N 0 0 575.710 3.836 50 0 biogenic KHAARN COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070687592 553607018 /nfs/dbraw/zinc/60/70/18/553607018.db2.gz MIINJRYUXCCDDV-NSOVKSMOSA-N 0 0 594.753 3.827 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 ZINC000070687601 553606941 /nfs/dbraw/zinc/60/69/41/553606941.db2.gz XOMFYQPMWQQPMN-OYDLWJJNSA-N 0 0 562.777 3.890 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 ZINC000070687604 553606952 /nfs/dbraw/zinc/60/69/52/553606952.db2.gz XOMFYQPMWQQPMN-QDSKXPNFSA-N 0 0 562.777 3.890 50 0 biogenic KHAARN CCOc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000070687798 553607670 /nfs/dbraw/zinc/60/76/70/553607670.db2.gz CUYFUPHVKYQJQH-MHZLTWQESA-N 0 0 591.709 3.996 50 0 biogenic KHAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000070687802 553607499 /nfs/dbraw/zinc/60/74/99/553607499.db2.gz UMWMGHMFFNFXNI-SANMLTNESA-N 0 0 561.683 3.906 50 0 biogenic KHAARN Cc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000070687813 553607500 /nfs/dbraw/zinc/60/75/00/553607500.db2.gz ZNGWVDHOGXOCTA-MHZLTWQESA-N 0 0 575.710 3.583 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)NCc2ccc(C)cc2)C(C)C)CC1 ZINC000070688001 553607841 /nfs/dbraw/zinc/60/78/41/553607841.db2.gz ZMTBRYUVCMFZBK-BJKOFHAPSA-N 0 0 562.777 3.637 50 0 biogenic KHAARN COc1ccc(C)cc1NC(=O)[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000070691526 553608171 /nfs/dbraw/zinc/60/81/71/553608171.db2.gz FPFNDEGKUBSFTE-XUZZJYLKSA-N 0 0 578.776 3.968 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(C)cc2)C(C)C)CC1 ZINC000070691547 553608179 /nfs/dbraw/zinc/60/81/79/553608179.db2.gz TVYZPYLQDLTYIJ-XZOQPEGZSA-N 0 0 548.750 3.959 50 0 biogenic KHAARN C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)NC1CCCCC1 ZINC000070691550 553608161 /nfs/dbraw/zinc/60/81/61/553608161.db2.gz OAAAVHVBWAVKNH-FNZWTVRRSA-N 0 0 567.731 3.796 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 ZINC000070691860 553608622 /nfs/dbraw/zinc/60/86/22/553608622.db2.gz XOMFYQPMWQQPMN-NKKJXINNSA-N 0 0 562.777 3.890 50 0 biogenic KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 ZINC000070691862 553608633 /nfs/dbraw/zinc/60/86/33/553608633.db2.gz XOMFYQPMWQQPMN-FGCOXFRFSA-N 0 0 562.777 3.890 50 0 biogenic KHAARN CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070692116 553609614 /nfs/dbraw/zinc/60/96/14/553609614.db2.gz KHURXKJWRKALMG-ZEQRLZLVSA-N 0 0 544.693 3.803 50 0 biogenic KHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000070697136 553612244 /nfs/dbraw/zinc/61/22/44/553612244.db2.gz SMOQRYGCGRTZCB-FPOVZHCZSA-N 0 0 543.646 3.991 50 0 biogenic KHAARN COc1cc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)C(C)C)cc(OC)c1 ZINC000070699270 553615917 /nfs/dbraw/zinc/61/59/17/553615917.db2.gz HCNLOAADDNMZDB-ZEQRLZLVSA-N 0 0 594.775 3.668 50 0 biogenic KHAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)CC1 ZINC000070700152 553617983 /nfs/dbraw/zinc/61/79/83/553617983.db2.gz ZYJGREQLAAYALA-SVBPBHIXSA-N 0 0 580.701 3.808 50 0 biogenic KHAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070700279 553618265 /nfs/dbraw/zinc/61/82/65/553618265.db2.gz LTZJGDGWXZRFSA-BNHRFMORSA-N 0 0 560.695 3.719 50 0 biogenic KHAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070700282 553618246 /nfs/dbraw/zinc/61/82/46/553618246.db2.gz LTZJGDGWXZRFSA-QNLPTKCRSA-N 0 0 560.695 3.719 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070700944 553619964 /nfs/dbraw/zinc/61/99/64/553619964.db2.gz RXAQJUUQTSZYFU-VWLOTQADSA-N 0 0 587.673 3.914 50 0 biogenic KHAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC1 ZINC000070701344 553621450 /nfs/dbraw/zinc/62/14/50/553621450.db2.gz OHEBXOMCFACOKL-UIOOFZCWSA-N 0 0 554.732 3.801 50 0 biogenic KHAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070701441 553622088 /nfs/dbraw/zinc/62/20/88/553622088.db2.gz YEQFEQLPKSJZOR-BNHRFMORSA-N 0 0 560.695 3.719 50 0 biogenic KHAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070701443 553622124 /nfs/dbraw/zinc/62/21/24/553622124.db2.gz YEQFEQLPKSJZOR-QNLPTKCRSA-N 0 0 560.695 3.719 50 0 biogenic KHAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C(=O)OC)c(C)c2oc1=O ZINC000070701486 553622094 /nfs/dbraw/zinc/62/20/94/553622094.db2.gz PCSOPWRCCLWNKV-RUZDIDTESA-N 0 0 560.603 3.892 50 0 biogenic KHAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(C)c2oc1=O ZINC000070701489 553622104 /nfs/dbraw/zinc/62/21/04/553622104.db2.gz PCSOPWRCCLWNKV-VWLOTQADSA-N 0 0 560.603 3.892 50 0 biogenic KHAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C(=O)OC)cc2oc1=O ZINC000070701556 553622245 /nfs/dbraw/zinc/62/22/45/553622245.db2.gz OMXCSPXQMJAXPS-RUZDIDTESA-N 0 0 546.576 3.584 50 0 biogenic KHAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)cc2oc1=O ZINC000070701558 553622266 /nfs/dbraw/zinc/62/22/66/553622266.db2.gz OMXCSPXQMJAXPS-VWLOTQADSA-N 0 0 546.576 3.584 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000070701591 553622508 /nfs/dbraw/zinc/62/25/08/553622508.db2.gz IMDLEIHGAJGDEZ-YFCOXDMTSA-N 0 0 522.605 3.510 50 0 biogenic KHAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000070701618 553622577 /nfs/dbraw/zinc/62/25/77/553622577.db2.gz IXOQECKJVXPOTO-JPZGVGIDSA-N 0 0 550.615 3.824 50 0 biogenic KHAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000070701621 553622516 /nfs/dbraw/zinc/62/25/16/553622516.db2.gz IXOQECKJVXPOTO-KMDNEMHUSA-N 0 0 550.615 3.824 50 0 biogenic KHAARN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070704470 553623045 /nfs/dbraw/zinc/62/30/45/553623045.db2.gz VLZHGHUMPZNFMC-NYCCMCPUSA-N 0 0 548.643 3.661 50 0 biogenic KHAARN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070704476 553623040 /nfs/dbraw/zinc/62/30/40/553623040.db2.gz VLZHGHUMPZNFMC-JOPQPDRSSA-N 0 0 548.643 3.661 50 0 biogenic KHAARN O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070704482 553622988 /nfs/dbraw/zinc/62/29/88/553622988.db2.gz VLZHGHUMPZNFMC-BGCOULCTSA-N 0 0 548.643 3.661 50 0 biogenic KHAARN O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070704487 553623027 /nfs/dbraw/zinc/62/30/27/553623027.db2.gz VLZHGHUMPZNFMC-CLRLENGSSA-N 0 0 548.643 3.661 50 0 biogenic KHAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)CC1 ZINC000070704549 553623095 /nfs/dbraw/zinc/62/30/95/553623095.db2.gz JCRKJNNCAWIWHN-SXOMAYOGSA-N 0 0 582.717 3.957 50 0 biogenic KHAARN C[C@H](C[NH3+])CC[C@@]1(c2c([O-])n(C)c(=O)n(C)c2=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C ZINC000070704605 553623242 /nfs/dbraw/zinc/62/32/42/553623242.db2.gz AETOFVLWNRPAPR-QWOJSCRWSA-N 0 0 569.787 3.945 50 0 biogenic KHAARN C[C@H](C[NH3+])CC[C@]1(c2c([O-])n(C)c(=O)n(C)c2=O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C ZINC000070704609 553623194 /nfs/dbraw/zinc/62/31/94/553623194.db2.gz AETOFVLWNRPAPR-YKVKDPKBSA-N 0 0 569.787 3.945 50 0 biogenic KHAARN COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000070705171 553624795 /nfs/dbraw/zinc/62/47/95/553624795.db2.gz MTUGQORYAVRRCM-HPUNYJORSA-N 0 0 536.632 3.518 50 0 biogenic KHAARN COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070705174 553624885 /nfs/dbraw/zinc/62/48/85/553624885.db2.gz MTUGQORYAVRRCM-YCVJPRETSA-N 0 0 536.632 3.518 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1OC ZINC000070706793 553628811 /nfs/dbraw/zinc/62/88/11/553628811.db2.gz PPHGBHQHCPBKFR-YBZFOXLFSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN COc1ccc(CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1OC ZINC000070706795 553628805 /nfs/dbraw/zinc/62/88/05/553628805.db2.gz PPHGBHQHCPBKFR-FFCVWOAGSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000070706930 553629370 /nfs/dbraw/zinc/62/93/70/553629370.db2.gz AROXQSYUOSPXAV-YAWXVXOFSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000070706932 553629368 /nfs/dbraw/zinc/62/93/68/553629368.db2.gz AROXQSYUOSPXAV-IEYXVUCYSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000070706934 553629338 /nfs/dbraw/zinc/62/93/38/553629338.db2.gz AROXQSYUOSPXAV-MDGPIOEHSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000070706937 553629342 /nfs/dbraw/zinc/62/93/42/553629342.db2.gz AROXQSYUOSPXAV-NBCYCUORSA-N 0 0 539.698 3.942 50 0 biogenic KHAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCN5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707303 553630448 /nfs/dbraw/zinc/63/04/48/553630448.db2.gz OSUNTCZVGXXOHW-MFMCTBQISA-N 0 0 579.657 3.721 50 0 biogenic KHAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)NCCN5CCOCC5)cc4)C(=O)N32)c1 ZINC000070707309 553630424 /nfs/dbraw/zinc/63/04/24/553630424.db2.gz OSUNTCZVGXXOHW-JDXGNMNLSA-N 0 0 579.657 3.721 50 0 biogenic KHAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1 ZINC000070707524 553630917 /nfs/dbraw/zinc/63/09/17/553630917.db2.gz OWXVMMAXNQCBSH-KYPHJKQUSA-N 0 0 528.634 3.785 50 0 biogenic KHAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1 ZINC000070707528 553630931 /nfs/dbraw/zinc/63/09/31/553630931.db2.gz OWXVMMAXNQCBSH-GNKBHMEESA-N 0 0 528.634 3.785 50 0 biogenic KHAARN CC1(C)CCc2c(cc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000070708525 553633066 /nfs/dbraw/zinc/63/30/66/553633066.db2.gz FRDWEVWGKLQKJD-MOPGFXCFSA-N 0 0 530.621 3.962 50 0 biogenic KHAARN CCCCCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1Cl ZINC000070712151 553633107 /nfs/dbraw/zinc/63/31/07/553633107.db2.gz QNXVDKIVRKDZHD-YLLXKFEGSA-N 0 0 611.117 3.537 50 0 biogenic KHAARN COc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712176 553633518 /nfs/dbraw/zinc/63/35/18/553633518.db2.gz DAKWRZLARHZNSH-OZSMRWMWSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712177 553633478 /nfs/dbraw/zinc/63/34/78/553633478.db2.gz DAKWRZLARHZNSH-OREFXHGKSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712179 553633384 /nfs/dbraw/zinc/63/33/84/553633384.db2.gz DAKWRZLARHZNSH-VIKVLLDXSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712181 553633410 /nfs/dbraw/zinc/63/34/10/553633410.db2.gz DAKWRZLARHZNSH-NRIYUKMNSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712190 553633539 /nfs/dbraw/zinc/63/35/39/553633539.db2.gz HOQIEASJIWGZLJ-RXWXGCHASA-N 0 0 547.615 3.725 50 0 biogenic KHAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712191 553633364 /nfs/dbraw/zinc/63/33/64/553633364.db2.gz HOQIEASJIWGZLJ-HICLHYEGSA-N 0 0 547.615 3.725 50 0 biogenic KHAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712193 553633504 /nfs/dbraw/zinc/63/35/04/553633504.db2.gz HOQIEASJIWGZLJ-YZBPACDBSA-N 0 0 547.615 3.725 50 0 biogenic KHAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712195 553633511 /nfs/dbraw/zinc/63/35/11/553633511.db2.gz HOQIEASJIWGZLJ-DXHIYDNGSA-N 0 0 547.615 3.725 50 0 biogenic KHAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712197 553633486 /nfs/dbraw/zinc/63/34/86/553633486.db2.gz OZLXOQNGWOTNQH-RXWXGCHASA-N 0 0 548.599 3.692 50 0 biogenic KHAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712199 553633532 /nfs/dbraw/zinc/63/35/32/553633532.db2.gz OZLXOQNGWOTNQH-HICLHYEGSA-N 0 0 548.599 3.692 50 0 biogenic KHAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712200 553633422 /nfs/dbraw/zinc/63/34/22/553633422.db2.gz OZLXOQNGWOTNQH-YZBPACDBSA-N 0 0 548.599 3.692 50 0 biogenic KHAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712201 553633457 /nfs/dbraw/zinc/63/34/57/553633457.db2.gz OZLXOQNGWOTNQH-DXHIYDNGSA-N 0 0 548.599 3.692 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712229 553633637 /nfs/dbraw/zinc/63/36/37/553633637.db2.gz YTXRGEUFEWAHGI-VYCABWRCSA-N 0 0 562.626 3.943 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712230 553633758 /nfs/dbraw/zinc/63/37/58/553633758.db2.gz YTXRGEUFEWAHGI-POMQSVLWSA-N 0 0 562.626 3.943 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712234 553633741 /nfs/dbraw/zinc/63/37/41/553633741.db2.gz YTXRGEUFEWAHGI-UFAFVJBKSA-N 0 0 562.626 3.943 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712235 553633617 /nfs/dbraw/zinc/63/36/17/553633617.db2.gz YTXRGEUFEWAHGI-HRXINVHESA-N 0 0 562.626 3.943 50 0 biogenic KHAARN COc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712246 553633788 /nfs/dbraw/zinc/63/37/88/553633788.db2.gz GZPVYIQOYKXUSP-JPUNLMIZSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712247 553633731 /nfs/dbraw/zinc/63/37/31/553633731.db2.gz GZPVYIQOYKXUSP-SDKBUELTSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712248 553633670 /nfs/dbraw/zinc/63/36/70/553633670.db2.gz GZPVYIQOYKXUSP-NYMOBWSISA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712249 553633750 /nfs/dbraw/zinc/63/37/50/553633750.db2.gz GZPVYIQOYKXUSP-ICIKWEMMSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712270 553633677 /nfs/dbraw/zinc/63/36/77/553633677.db2.gz AVFBKEMEDHVKBB-JPUNLMIZSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712272 553633690 /nfs/dbraw/zinc/63/36/90/553633690.db2.gz AVFBKEMEDHVKBB-SDKBUELTSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712273 553633662 /nfs/dbraw/zinc/63/36/62/553633662.db2.gz AVFBKEMEDHVKBB-NYMOBWSISA-N 0 0 520.589 3.775 50 0 biogenic KHAARN COc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712275 553633598 /nfs/dbraw/zinc/63/35/98/553633598.db2.gz AVFBKEMEDHVKBB-ICIKWEMMSA-N 0 0 520.589 3.775 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCCOc1ccc(C)cc1 ZINC000070712277 553633700 /nfs/dbraw/zinc/63/37/00/553633700.db2.gz YTNHQTQZPXDSME-WYQCABFXSA-N 0 0 627.716 3.562 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712286 553633984 /nfs/dbraw/zinc/63/39/84/553633984.db2.gz JLNQDANHHJTZQX-GGYSATMWSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712287 553633948 /nfs/dbraw/zinc/63/39/48/553633948.db2.gz JLNQDANHHJTZQX-IACSHWSRSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712289 553634077 /nfs/dbraw/zinc/63/40/77/553634077.db2.gz JLNQDANHHJTZQX-OZTFVONUSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712291 553633932 /nfs/dbraw/zinc/63/39/32/553633932.db2.gz JLNQDANHHJTZQX-DXXKLULQSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712298 553633918 /nfs/dbraw/zinc/63/39/18/553633918.db2.gz WYTBNTYMOWVVMI-RXWXGCHASA-N 0 0 532.600 3.969 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712299 553634019 /nfs/dbraw/zinc/63/40/19/553634019.db2.gz WYTBNTYMOWVVMI-HICLHYEGSA-N 0 0 532.600 3.969 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712301 553634056 /nfs/dbraw/zinc/63/40/56/553634056.db2.gz WYTBNTYMOWVVMI-YZBPACDBSA-N 0 0 532.600 3.969 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712303 553634046 /nfs/dbraw/zinc/63/40/46/553634046.db2.gz WYTBNTYMOWVVMI-DXHIYDNGSA-N 0 0 532.600 3.969 50 0 biogenic KHAARN CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)C(=O)NCc1ccccn1 ZINC000070712352 553633961 /nfs/dbraw/zinc/63/39/61/553633961.db2.gz IWRXYTRFQLOPGG-WRGVRERRSA-N 0 0 570.646 3.506 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712365 553633976 /nfs/dbraw/zinc/63/39/76/553633976.db2.gz MKCCVWPOXJROOY-KUXNCQQFSA-N 0 0 518.573 3.579 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712366 553633998 /nfs/dbraw/zinc/63/39/98/553633998.db2.gz MKCCVWPOXJROOY-PCEYSVKOSA-N 0 0 518.573 3.579 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712368 553634330 /nfs/dbraw/zinc/63/43/30/553634330.db2.gz MKCCVWPOXJROOY-YSRRZRNESA-N 0 0 518.573 3.579 50 0 biogenic KHAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712370 553634269 /nfs/dbraw/zinc/63/42/69/553634269.db2.gz MKCCVWPOXJROOY-ZGQJUUMOSA-N 0 0 518.573 3.579 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712377 553634233 /nfs/dbraw/zinc/63/42/33/553634233.db2.gz JGESCIUGARWNKA-WRZBRUQPSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712379 553634349 /nfs/dbraw/zinc/63/43/49/553634349.db2.gz JGESCIUGARWNKA-ZYMMPZCLSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712380 553634254 /nfs/dbraw/zinc/63/42/54/553634254.db2.gz JGESCIUGARWNKA-UOJGMACNSA-N 0 0 548.599 3.553 50 0 biogenic KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712382 553634276 /nfs/dbraw/zinc/63/42/76/553634276.db2.gz JGESCIUGARWNKA-XPZOENDESA-N 0 0 548.599 3.553 50 0 biogenic KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(Br)c(C)c2)c1C ZINC000071327051 553634903 /nfs/dbraw/zinc/63/49/03/553634903.db2.gz XBAOPMPLLTYONF-UHFFFAOYSA-N 0 0 500.353 3.725 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Br)c2C)c1 ZINC000071327346 553635029 /nfs/dbraw/zinc/63/50/29/553635029.db2.gz OFJXDROPVTYUQZ-UHFFFAOYSA-N 0 0 500.353 3.725 50 0 KHAARN CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000071328014 553634998 /nfs/dbraw/zinc/63/49/98/553634998.db2.gz TZEMWBGKKOAAMN-UHFFFAOYSA-N 0 0 516.689 3.542 50 0 KHAARN CCN(CC)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c(C)c1 ZINC000071328403 553635005 /nfs/dbraw/zinc/63/50/05/553635005.db2.gz BFKUTUZKWUHJDN-UHFFFAOYSA-N 0 0 504.547 3.585 50 0 KHAARN Cc1cc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)ccc1Br ZINC000071328443 553635444 /nfs/dbraw/zinc/63/54/44/553635444.db2.gz NBKASCBKXZIQKN-UHFFFAOYSA-N 0 0 512.320 3.501 50 0 KHAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2cc1OC ZINC000071418213 553636072 /nfs/dbraw/zinc/63/60/72/553636072.db2.gz ZHRUQGSDRAEIQM-GOSISDBHSA-N 0 0 546.667 3.719 50 0 biogenic,in-vitro KHAARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2cc1OC ZINC000071418214 553636092 /nfs/dbraw/zinc/63/60/92/553636092.db2.gz ZHRUQGSDRAEIQM-SFHVURJKSA-N 0 0 546.667 3.719 50 0 biogenic,in-vitro KHAARN O=S(=O)(c1ccc(NCN2CCSC2=S)cc1)c1ccc(NCN2CCSC2=S)cc1 ZINC000071766939 553636483 /nfs/dbraw/zinc/63/64/83/553636483.db2.gz VDGJWZVMYQHCIJ-UHFFFAOYSA-N 0 0 510.757 3.926 50 0 KHAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2N)cc1 ZINC000071772053 553636742 /nfs/dbraw/zinc/63/67/42/553636742.db2.gz NMCGCIKGVZYOMO-UHFFFAOYSA-N 0 0 515.639 3.812 50 0 KHAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000071772550 553636785 /nfs/dbraw/zinc/63/67/85/553636785.db2.gz LJCYPMBLNKQNBR-OAHLLOKOSA-N 0 0 508.522 3.617 50 0 KHAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000071772555 553636897 /nfs/dbraw/zinc/63/68/97/553636897.db2.gz LJCYPMBLNKQNBR-HNNXBMFYSA-N 0 0 508.522 3.617 50 0 KHAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072104557 553640342 /nfs/dbraw/zinc/64/03/42/553640342.db2.gz HXXBBHLJCGHXGD-LJQANCHMSA-N 0 0 532.515 3.645 50 0 KHAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000072104558 553640406 /nfs/dbraw/zinc/64/04/06/553640406.db2.gz HXXBBHLJCGHXGD-IBGZPJMESA-N 0 0 532.515 3.645 50 0 KHAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000072135051 553644357 /nfs/dbraw/zinc/64/43/57/553644357.db2.gz LGCFZFNUXYIUMF-UHFFFAOYSA-N 0 0 541.674 3.581 50 0 KHAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c(=O)[nH]c1=O ZINC000072136034 553644350 /nfs/dbraw/zinc/64/43/50/553644350.db2.gz ADDOKATWEIDIGN-UHFFFAOYSA-N 0 0 538.696 3.816 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)c2)cc1 ZINC000072136660 553644324 /nfs/dbraw/zinc/64/43/24/553644324.db2.gz SXACLVHREFFFMG-UHFFFAOYSA-N 0 0 539.654 3.780 50 0 KHAARN Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000072136712 553644304 /nfs/dbraw/zinc/64/43/04/553644304.db2.gz YJLIPXYIUGVUMB-UHFFFAOYSA-N 0 0 534.432 3.780 50 0 KHAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000072139354 553644607 /nfs/dbraw/zinc/64/46/07/553644607.db2.gz YUGQHAGCAFJQRP-UHFFFAOYSA-N 0 0 530.444 3.947 50 0 KHAARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000072140959 553644980 /nfs/dbraw/zinc/64/49/80/553644980.db2.gz DZWWHNHDARWMDE-UHFFFAOYSA-N 0 0 558.484 3.649 50 0 KHAARN Cc1cc(Br)c(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(Br)c1 ZINC000072141339 553644912 /nfs/dbraw/zinc/64/49/12/553644912.db2.gz UYOCMMZTVNPIMP-FQEVSTJZSA-N 0 0 523.181 3.688 50 0 KHAARN Cc1cc(Br)c(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(Br)c1 ZINC000072141340 553644966 /nfs/dbraw/zinc/64/49/66/553644966.db2.gz UYOCMMZTVNPIMP-HXUWFJFHSA-N 0 0 523.181 3.688 50 0 KHAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072172318 553645203 /nfs/dbraw/zinc/64/52/03/553645203.db2.gz WWHXVIWERXOJII-UHFFFAOYSA-N 0 0 554.068 3.785 50 0 KHAARN COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000072186822 553645673 /nfs/dbraw/zinc/64/56/73/553645673.db2.gz KFDDPVMIQMFHBI-VLEVAUIJSA-N 0 0 578.662 3.919 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1 ZINC000072189940 553645941 /nfs/dbraw/zinc/64/59/41/553645941.db2.gz WVDBOWMWAJGJJI-ZMVORIFESA-N 0 0 583.714 3.617 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(I)cc1)C2=O ZINC000072194449 553645876 /nfs/dbraw/zinc/64/58/76/553645876.db2.gz DOONVRNBSUAOKN-UHFFFAOYSA-N 0 0 517.323 3.865 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)CC1 ZINC000072325315 553648304 /nfs/dbraw/zinc/64/83/04/553648304.db2.gz RXIADYFOLNILQW-HNHDQWNYSA-N 0 0 548.765 3.665 50 0 biogenic KHAARN C[C@H](CCC(=O)NCC1CCOCC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072326296 553648836 /nfs/dbraw/zinc/64/88/36/553648836.db2.gz RMIAUYFFBBXMKJ-XDZGTSNGSA-N 0 0 505.740 3.907 50 0 biogenic KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000072328186 553649019 /nfs/dbraw/zinc/64/90/19/553649019.db2.gz PGEPYTQGHDCUGF-KMBIYUNPSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000072328187 553649000 /nfs/dbraw/zinc/64/90/00/553649000.db2.gz PGEPYTQGHDCUGF-GVMLUORFSA-N 0 0 514.603 3.969 50 0 KHAARN Cc1cc(Br)ccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O ZINC000072329684 553648954 /nfs/dbraw/zinc/64/89/54/553648954.db2.gz YBPXKKCZDDAFCH-UHFFFAOYSA-N 0 0 512.320 3.501 50 0 KHAARN Cc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c(Br)c1 ZINC000072329686 553648977 /nfs/dbraw/zinc/64/89/77/553648977.db2.gz LHZQSMPLXYEFEL-UHFFFAOYSA-N 0 0 512.320 3.501 50 0 KHAARN O=C(COC(=O)COc1ccc(I)cc1)Nc1ccc(Br)cc1F ZINC000072330994 553649340 /nfs/dbraw/zinc/64/93/40/553649340.db2.gz WVCOBXOJXKVJIV-UHFFFAOYSA-N 0 0 508.081 3.754 50 0 KHAARN COc1cc(OC)c(NC(=O)COC(=O)COc2ccc(I)cc2)cc1Cl ZINC000072331006 553649419 /nfs/dbraw/zinc/64/94/19/553649419.db2.gz SPDBSQJWHQNLDH-UHFFFAOYSA-N 0 0 505.692 3.523 50 0 KHAARN Cc1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)c(Br)c1 ZINC000072331036 553649485 /nfs/dbraw/zinc/64/94/85/553649485.db2.gz DMSVOABYIQZONA-UHFFFAOYSA-N 0 0 504.118 3.923 50 0 KHAARN Cc1cc(NC(=O)COC(=O)COc2ccc(I)cc2)ccc1Br ZINC000072331039 553649456 /nfs/dbraw/zinc/64/94/56/553649456.db2.gz QDYVJZGXTQGNMX-UHFFFAOYSA-N 0 0 504.118 3.923 50 0 KHAARN CC(C)c1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332022 553649407 /nfs/dbraw/zinc/64/94/07/553649407.db2.gz NBFXZQQLHWNVQX-UHFFFAOYSA-N 0 0 502.571 3.730 50 0 KHAARN Cc1cc(C)c(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c(C)c1 ZINC000072332029 553649478 /nfs/dbraw/zinc/64/94/78/553649478.db2.gz HBSAREBXBOJJOO-UHFFFAOYSA-N 0 0 502.571 3.532 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332030 553649638 /nfs/dbraw/zinc/64/96/38/553649638.db2.gz COWRRGCXNSUEBR-UHFFFAOYSA-N 0 0 508.962 3.569 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c(Cl)c1 ZINC000072332032 553649647 /nfs/dbraw/zinc/64/96/47/553649647.db2.gz QYUFFLPVDIEKSE-UHFFFAOYSA-N 0 0 508.962 3.569 50 0 KHAARN Cc1c(Cl)cccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332048 553649625 /nfs/dbraw/zinc/64/96/25/553649625.db2.gz YENNBQQVPNYMIJ-UHFFFAOYSA-N 0 0 508.962 3.569 50 0 KHAARN CC(C)c1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000072332073 553649676 /nfs/dbraw/zinc/64/96/76/553649676.db2.gz RKOKKXYMJZABOF-UHFFFAOYSA-N 0 0 502.571 3.730 50 0 KHAARN Cc1cccc(Cl)c1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332075 553649690 /nfs/dbraw/zinc/64/96/90/553649690.db2.gz QNFMXNOPIJOIGU-UHFFFAOYSA-N 0 0 508.962 3.569 50 0 KHAARN CCCCc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332076 553649622 /nfs/dbraw/zinc/64/96/22/553649622.db2.gz VDXQBTQGTHIBHZ-UHFFFAOYSA-N 0 0 516.598 3.950 50 0 KHAARN CC(C)c1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332080 553649997 /nfs/dbraw/zinc/64/99/97/553649997.db2.gz LFOCFOXGCYQALY-UHFFFAOYSA-N 0 0 502.571 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000073308439 553652875 /nfs/dbraw/zinc/65/28/75/553652875.db2.gz OJXJFHGWKNZSAB-ZNUYJXQUSA-N 0 0 532.618 3.787 50 0 KHAARN CC(C)CN(C(=O)COC(=O)CCSc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000073330201 553653411 /nfs/dbraw/zinc/65/34/11/553653411.db2.gz LWMUFKCEEBUOHU-UHFFFAOYSA-N 0 0 545.061 3.535 50 0 KHAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(Br)c(Br)s2)c(=O)[nH]c1=O ZINC000073351349 553653372 /nfs/dbraw/zinc/65/33/72/553653372.db2.gz QTUNUOWFERWLKC-UHFFFAOYSA-N 0 0 522.263 3.808 50 0 KHAARN COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000079112150 553665775 /nfs/dbraw/zinc/66/57/75/553665775.db2.gz NMNPVFPWDJLCGS-QHCPKHFHSA-N 0 0 503.577 3.746 50 0 KHAARN COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000079112153 553665762 /nfs/dbraw/zinc/66/57/62/553665762.db2.gz NMNPVFPWDJLCGS-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN COc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000079112472 553666065 /nfs/dbraw/zinc/66/60/65/553666065.db2.gz ZZMKOVVQXBYWGT-QHCPKHFHSA-N 0 0 503.577 3.746 50 0 KHAARN COc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000079112473 553666122 /nfs/dbraw/zinc/66/61/22/553666122.db2.gz ZZMKOVVQXBYWGT-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)c1 ZINC000079189169 553667059 /nfs/dbraw/zinc/66/70/59/553667059.db2.gz KDFYCOYBROSTIM-OFNKIYASSA-N 0 0 504.447 3.692 50 0 biogenic KHAARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)c1 ZINC000079189170 553667014 /nfs/dbraw/zinc/66/70/14/553667014.db2.gz KDFYCOYBROSTIM-REWPJTCUSA-N 0 0 504.447 3.692 50 0 biogenic KHAARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)c1 ZINC000079189172 553666951 /nfs/dbraw/zinc/66/69/51/553666951.db2.gz KDFYCOYBROSTIM-NFBKMPQASA-N 0 0 504.447 3.692 50 0 biogenic KHAARN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)c1 ZINC000079189175 553666989 /nfs/dbraw/zinc/66/69/89/553666989.db2.gz KDFYCOYBROSTIM-NZQKXSOJSA-N 0 0 504.447 3.692 50 0 biogenic KHAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079209967 553670281 /nfs/dbraw/zinc/67/02/81/553670281.db2.gz LLIDXSLTGXJBBQ-KRZJEZTLSA-N 0 0 647.427 3.684 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000079231931 553672473 /nfs/dbraw/zinc/67/24/73/553672473.db2.gz WBAYQUFJSAUADP-JPHCZMGXSA-N 0 0 648.134 3.907 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000079231939 553672420 /nfs/dbraw/zinc/67/24/20/553672420.db2.gz NIFBSCADEREJRG-FXGKLIOSSA-N 0 0 634.107 3.517 50 0 biogenic KHAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000079232005 553672478 /nfs/dbraw/zinc/67/24/78/553672478.db2.gz BYJOESPFYGWQPX-RVBPLTOPSA-N 0 0 668.769 3.892 50 0 biogenic KHAARN COc1ccc(-c2cc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000080345567 553673164 /nfs/dbraw/zinc/67/31/64/553673164.db2.gz FXQVIJCFLPRYBJ-GOSISDBHSA-N 0 0 508.556 3.834 50 0 KHAARN COc1ccc(-c2cc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000080345575 553673206 /nfs/dbraw/zinc/67/32/06/553673206.db2.gz FXQVIJCFLPRYBJ-SFHVURJKSA-N 0 0 508.556 3.834 50 0 KHAARN COc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)on3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1OC ZINC000080345598 553673177 /nfs/dbraw/zinc/67/31/77/553673177.db2.gz AAPMFZIIWZRKDU-GOSISDBHSA-N 0 0 508.556 3.834 50 0 KHAARN COc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)on3)n([C@H]3CCS(=O)(=O)C3)n2)cc1OC ZINC000080345604 553673156 /nfs/dbraw/zinc/67/31/56/553673156.db2.gz AAPMFZIIWZRKDU-SFHVURJKSA-N 0 0 508.556 3.834 50 0 KHAARN Cc1cc(SCC(=O)Nc2ccc3c(c2)OCO3)nc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000082086883 553673830 /nfs/dbraw/zinc/67/38/30/553673830.db2.gz RAGKQBRFSKIABO-UHFFFAOYSA-N 0 0 512.569 3.704 50 0 KHAARN CC(C)c1ccccc1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000084466238 553677201 /nfs/dbraw/zinc/67/72/01/553677201.db2.gz ANJWGYQQGXYHGI-HSZRJFAPSA-N 0 0 501.627 3.617 50 0 KHAARN CC(C)c1ccccc1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000084466239 553677356 /nfs/dbraw/zinc/67/73/56/553677356.db2.gz ANJWGYQQGXYHGI-QHCPKHFHSA-N 0 0 501.627 3.617 50 0 KHAARN CCOC(=O)c1ccc2nc(C(=O)NCCS(C)(=O)=O)n(Cc3ccc(-c4ccccc4)cc3)c2c1 ZINC000084798623 553678246 /nfs/dbraw/zinc/67/82/46/553678246.db2.gz AROCFLLZIRIHSE-UHFFFAOYSA-N 0 0 505.596 3.703 50 0 KHAARN CCc1ccc(O[C@@H](C)C(=O)OC)c(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c1 ZINC000085389029 553678890 /nfs/dbraw/zinc/67/88/90/553678890.db2.gz LCWNEJINVNVCDM-HNNXBMFYSA-N 0 0 506.477 3.637 50 0 KHAARN CCc1ccc(O[C@H](C)C(=O)OC)c(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c1 ZINC000085389035 553678797 /nfs/dbraw/zinc/67/87/97/553678797.db2.gz LCWNEJINVNVCDM-OAHLLOKOSA-N 0 0 506.477 3.637 50 0 KHAARN CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(S(C)(=O)=O)cc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000085389519 553678854 /nfs/dbraw/zinc/67/88/54/553678854.db2.gz BFDPMDNXFDWJRX-QFIPXVFZSA-N 0 0 515.588 3.668 50 0 KHAARN CS(=O)(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(S(C)(=O)=O)cc3)C(c3ccc(F)cc3)=N2)cc1 ZINC000085389523 553678886 /nfs/dbraw/zinc/67/88/86/553678886.db2.gz BFDPMDNXFDWJRX-JOCHJYFZSA-N 0 0 515.588 3.668 50 0 KHAARN COC(=O)[C@H](C)Oc1cc(C)ccc1COc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(C)c1 ZINC000085389551 553678827 /nfs/dbraw/zinc/67/88/27/553678827.db2.gz XFLJZMPUYCAMEW-INIZCTEOSA-N 0 0 506.477 3.691 50 0 KHAARN COC(=O)[C@@H](C)Oc1cc(C)ccc1COc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(C)c1 ZINC000085389554 553678785 /nfs/dbraw/zinc/67/87/85/553678785.db2.gz XFLJZMPUYCAMEW-MRXNPFEDSA-N 0 0 506.477 3.691 50 0 KHAARN O=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2O)c(=S)[nH]1 ZINC000085408794 553680116 /nfs/dbraw/zinc/68/01/16/553680116.db2.gz DPTFURUZUAETMI-HMNRDNJPSA-N 0 0 502.592 3.534 50 0 KHAARN O=c1ccn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O)c(=S)[nH]1 ZINC000085408799 553680094 /nfs/dbraw/zinc/68/00/94/553680094.db2.gz DPTFURUZUAETMI-URBBEOKESA-N 0 0 502.592 3.534 50 0 KHAARN CN1C2=C(C(=O)N(C(C)(C)C(=O)NCCc3ccccn3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000085422222 553681442 /nfs/dbraw/zinc/68/14/42/553681442.db2.gz ZTPBGZCMFNCKNA-SANMLTNESA-N 0 0 525.609 3.804 50 0 KHAARN CN1C2=C(C(=O)N(C(C)(C)C(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000085422224 553681447 /nfs/dbraw/zinc/68/14/47/553681447.db2.gz ZTPBGZCMFNCKNA-AREMUKBSSA-N 0 0 525.609 3.804 50 0 KHAARN CCOC(=O)[C@@H]1[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000085427830 553681987 /nfs/dbraw/zinc/68/19/87/553681987.db2.gz IEKNZGYFYSDMLS-BBTUJRGHSA-N 0 0 502.873 3.712 50 0 KHAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=O)N[C@]1(O)C(F)(F)F ZINC000085427837 553681991 /nfs/dbraw/zinc/68/19/91/553681991.db2.gz IEKNZGYFYSDMLS-WAOWUJCRSA-N 0 0 502.873 3.712 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1C(=O)N1CCCC1 ZINC000085616689 553685405 /nfs/dbraw/zinc/68/54/05/553685405.db2.gz FKYOBRCAKQMGAL-UHFFFAOYSA-N 0 0 507.056 3.869 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3Cl)CC2)c1C(=O)N1CCCC1 ZINC000085616704 553685394 /nfs/dbraw/zinc/68/53/94/553685394.db2.gz IQMMVRIAFKKFMG-UHFFFAOYSA-N 0 0 507.056 3.869 50 0 KHAARN CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 ZINC000085616716 553685402 /nfs/dbraw/zinc/68/54/02/553685402.db2.gz YJNNOCRTKUISFY-UHFFFAOYSA-N 0 0 500.665 3.778 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1C(=O)N1CCCC1 ZINC000085616764 553685449 /nfs/dbraw/zinc/68/54/49/553685449.db2.gz AJFMHCPHEFPASZ-UHFFFAOYSA-N 0 0 526.581 3.926 50 0 KHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(C)c3C(=O)N3CCCC3)CC2)cc1Cl ZINC000085616778 553685413 /nfs/dbraw/zinc/68/54/13/553685413.db2.gz SWWOBEKKRJBPMO-UHFFFAOYSA-N 0 0 523.055 3.569 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)c1C(=O)N1CCCC1 ZINC000085616783 553685450 /nfs/dbraw/zinc/68/54/50/553685450.db2.gz ACLZNDSXCSIMCI-UHFFFAOYSA-N 0 0 529.688 3.825 50 0 KHAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4ccno4)c3)CC2)c1C(=O)N1CCCC1 ZINC000085616828 553685445 /nfs/dbraw/zinc/68/54/45/553685445.db2.gz ZMLOGNUFZPYEQI-UHFFFAOYSA-N 0 0 525.631 3.562 50 0 KHAARN O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641616 553685511 /nfs/dbraw/zinc/68/55/11/553685511.db2.gz LLLRGNQSDQTKQT-UHFFFAOYSA-N 0 0 511.069 3.852 50 0 KHAARN COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)c1 ZINC000085641640 553685602 /nfs/dbraw/zinc/68/56/02/553685602.db2.gz OOAHXRLLAVQDGF-UHFFFAOYSA-N 0 0 505.662 3.812 50 0 KHAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)cc1 ZINC000085641643 553685524 /nfs/dbraw/zinc/68/55/24/553685524.db2.gz JMZQYVBAUALILV-UHFFFAOYSA-N 0 0 505.662 3.812 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1)N1CCc2ccccc21 ZINC000085641705 553685614 /nfs/dbraw/zinc/68/56/14/553685614.db2.gz ZJLCNHPCEKMDML-UHFFFAOYSA-N 0 0 501.674 3.754 50 0 KHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)cc1 ZINC000085641710 553685544 /nfs/dbraw/zinc/68/55/44/553685544.db2.gz SVPUYCDBVMNXNH-UHFFFAOYSA-N 0 0 503.690 3.790 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641770 553685572 /nfs/dbraw/zinc/68/55/72/553685572.db2.gz AJZAKVFIMKUQAW-UHFFFAOYSA-N 0 0 519.645 3.532 50 0 KHAARN O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641775 553685634 /nfs/dbraw/zinc/68/56/34/553685634.db2.gz VQLXLNGKTJMCAP-UHFFFAOYSA-N 0 0 507.653 3.621 50 0 KHAARN COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641842 553685862 /nfs/dbraw/zinc/68/58/62/553685862.db2.gz QFMJQNYDTPYOKG-UHFFFAOYSA-N 0 0 505.662 3.812 50 0 KHAARN Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)CC1 ZINC000085641849 553685873 /nfs/dbraw/zinc/68/58/73/553685873.db2.gz GEWBGHOBWLBXDV-UHFFFAOYSA-N 0 0 503.690 3.790 50 0 KHAARN Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)c1 ZINC000085641856 553685896 /nfs/dbraw/zinc/68/58/96/553685896.db2.gz ZSDGRZCALIGGIG-UHFFFAOYSA-N 0 0 503.690 3.790 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)c(C)s2)no1 ZINC000085650139 553686026 /nfs/dbraw/zinc/68/60/26/553686026.db2.gz LKSVMJSRPYIMEE-UHFFFAOYSA-N 0 0 502.618 3.911 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C(C)=O)c4)CC3)c(C)s2)no1 ZINC000085650141 553686017 /nfs/dbraw/zinc/68/60/17/553686017.db2.gz SDEIIVLJFFDBLF-UHFFFAOYSA-N 0 0 502.618 3.911 50 0 KHAARN Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)CC2)o1 ZINC000085650153 553686002 /nfs/dbraw/zinc/68/60/02/553686002.db2.gz LHRAHRXCSNSKGM-UHFFFAOYSA-N 0 0 504.634 3.993 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4cccc(C(C)=O)c4)C3)c(C)s2)no1 ZINC000085650379 553686027 /nfs/dbraw/zinc/68/60/27/553686027.db2.gz OLBUOOXLUZWWMK-KRWDZBQOSA-N 0 0 502.618 3.911 50 0 KHAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc(C(C)=O)c4)C3)c(C)s2)no1 ZINC000085650381 553686053 /nfs/dbraw/zinc/68/60/53/553686053.db2.gz OLBUOOXLUZWWMK-QGZVFWFLSA-N 0 0 502.618 3.911 50 0 KHAARN Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)o1 ZINC000085650398 553686302 /nfs/dbraw/zinc/68/63/02/553686302.db2.gz GTCDCRKLSVWQMH-QGZVFWFLSA-N 0 0 504.634 3.993 50 0 KHAARN Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)o1 ZINC000085650400 553686342 /nfs/dbraw/zinc/68/63/42/553686342.db2.gz GTCDCRKLSVWQMH-KRWDZBQOSA-N 0 0 504.634 3.993 50 0 KHAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000085712845 553686328 /nfs/dbraw/zinc/68/63/28/553686328.db2.gz DXRCHQSRCCHBMG-UHFFFAOYSA-N 0 0 500.573 3.937 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000085720788 553686318 /nfs/dbraw/zinc/68/63/18/553686318.db2.gz RPQBZQVLRAGUIH-UHFFFAOYSA-N 0 0 501.527 3.866 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000085720790 553686581 /nfs/dbraw/zinc/68/65/81/553686581.db2.gz HEQPRORODSECRK-UHFFFAOYSA-N 0 0 526.453 3.919 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000085720791 553686583 /nfs/dbraw/zinc/68/65/83/553686583.db2.gz OUEYBZKMEVPMHB-UHFFFAOYSA-N 0 0 504.634 3.766 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000085720792 553686572 /nfs/dbraw/zinc/68/65/72/553686572.db2.gz IJAYFODOGKXHQS-UHFFFAOYSA-N 0 0 517.526 3.746 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3ccno3)cc2)CC1 ZINC000085720793 553686538 /nfs/dbraw/zinc/68/65/38/553686538.db2.gz OCNHSHRKOXLVRH-UHFFFAOYSA-N 0 0 500.577 3.503 50 0 KHAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000085867434 553687850 /nfs/dbraw/zinc/68/78/50/553687850.db2.gz KGEPVCXTBBKCDN-SLABDCHHSA-N 0 0 654.757 3.995 50 0 biogenic KHAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000085867444 553687911 /nfs/dbraw/zinc/68/79/11/553687911.db2.gz KGEPVCXTBBKCDN-OWMGIAHBSA-N 0 0 654.757 3.995 50 0 biogenic KHAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(Cc2ccccn2)CC1 ZINC000085875721 553688404 /nfs/dbraw/zinc/68/84/04/553688404.db2.gz JBJUTMJXFCPNJR-UHFFFAOYSA-N 0 0 518.621 3.704 50 0 biogenic KHAARN O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(Cc2cccnc2)CC1 ZINC000085876197 553688432 /nfs/dbraw/zinc/68/84/32/553688432.db2.gz QOEKAKSPTOJGPN-UHFFFAOYSA-N 0 0 518.621 3.704 50 0 biogenic KHAARN O=C(c1ccc2c(c1)OCCOCCOc1ccc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc1OCCOCCO2)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000085893430 553690319 /nfs/dbraw/zinc/69/03/19/553690319.db2.gz RUDHEKPVEXODBM-JDYLGNGMSA-N 0 0 792.886 3.791 50 0 KHAARN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000085896155 553690887 /nfs/dbraw/zinc/69/08/87/553690887.db2.gz CWWJSEGCCZBEOE-OAJNOXEISA-N 0 0 516.682 3.783 50 0 biogenic KHAARN CS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)ccc1Cl ZINC000089490019 553693728 /nfs/dbraw/zinc/69/37/28/553693728.db2.gz DAHGLHWRNITUAK-UHFFFAOYSA-N 0 0 525.092 3.938 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000089644457 553694175 /nfs/dbraw/zinc/69/41/75/553694175.db2.gz OIXWRCSKKHKNHR-UHFFFAOYSA-N 0 0 514.987 3.925 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000089969071 553694814 /nfs/dbraw/zinc/69/48/14/553694814.db2.gz KOVGEOJNUBCWOS-UHFFFAOYSA-N 0 0 529.615 3.625 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000089984803 553694754 /nfs/dbraw/zinc/69/47/54/553694754.db2.gz UJUIQYCHGMHOMO-UHFFFAOYSA-N 0 0 517.563 3.992 50 0 KHAARN CCOc1cc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCC(C)C ZINC000089990997 1066840131 /nfs/dbraw/zinc/84/01/31/1066840131.db2.gz DBMQXQMVHQLVDN-PKNBQFBNSA-N 0 0 505.637 3.661 50 0 KHAARN O=C(Nc1ccc2[nH]c(=O)oc2c1)c1csc(N2CCN(C(=O)OCc3ccc(Cl)cc3)CC2)n1 ZINC000091297388 553695218 /nfs/dbraw/zinc/69/52/18/553695218.db2.gz KHGZPKKPXUKXFB-UHFFFAOYSA-N 0 0 513.963 3.942 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000095101049 553700196 /nfs/dbraw/zinc/70/01/96/553700196.db2.gz SKTWVKMQYXXWNY-UHFFFAOYSA-N 0 0 789.036 3.997 50 0 KHAARN O=C1C[C@@H](N2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000095101416 553700314 /nfs/dbraw/zinc/70/03/14/553700314.db2.gz QGHSSYSDDFZVRT-GOSISDBHSA-N 0 0 508.210 3.827 50 0 KHAARN O=C1C[C@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000095399200 553701051 /nfs/dbraw/zinc/70/10/51/553701051.db2.gz KJHQLDSMIUCYRW-IBGZPJMESA-N 0 0 500.340 3.679 50 0 KHAARN COc1cc(CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c2ccc(Cl)cc2)ccc1O ZINC000095482149 553702180 /nfs/dbraw/zinc/70/21/80/553702180.db2.gz AKHXOLDEYCNHIE-UHFFFAOYSA-N 0 0 500.960 3.822 50 0 KHAARN CCCCOc1ccc(C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c2ccc(OCCCC)cc2)cc1 ZINC000095567408 553704638 /nfs/dbraw/zinc/70/46/38/553704638.db2.gz YPBXMCVONDCRMV-UHFFFAOYSA-N 0 0 542.629 3.681 50 0 KHAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000095567588 553704636 /nfs/dbraw/zinc/70/46/36/553704636.db2.gz KLYAQAKRASQYOG-SFHVURJKSA-N 0 0 549.425 3.930 50 0 KHAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000095567589 553704643 /nfs/dbraw/zinc/70/46/43/553704643.db2.gz KLYAQAKRASQYOG-GOSISDBHSA-N 0 0 549.425 3.930 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCOCC3)cc2)cc1 ZINC000095568443 553704819 /nfs/dbraw/zinc/70/48/19/553704819.db2.gz JZGFAUSMXWLLQE-MHZLTWQESA-N 0 0 539.654 3.698 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCOCC3)cc2)cc1 ZINC000095568444 553704762 /nfs/dbraw/zinc/70/47/62/553704762.db2.gz JZGFAUSMXWLLQE-HHHXNRCGSA-N 0 0 539.654 3.698 50 0 KHAARN CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000095568470 553704840 /nfs/dbraw/zinc/70/48/40/553704840.db2.gz AFXWXJIQFODKDO-VXKWHMMOSA-N 0 0 550.681 3.778 50 0 KHAARN CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000095568471 553704835 /nfs/dbraw/zinc/70/48/35/553704835.db2.gz AFXWXJIQFODKDO-FCHUYYIVSA-N 0 0 550.681 3.778 50 0 KHAARN CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000095568472 553704778 /nfs/dbraw/zinc/70/47/78/553704778.db2.gz AFXWXJIQFODKDO-YADHBBJMSA-N 0 0 550.681 3.778 50 0 KHAARN CCc1ccccc1NC(=O)CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000095568473 553704865 /nfs/dbraw/zinc/70/48/65/553704865.db2.gz AFXWXJIQFODKDO-FGZHOGPDSA-N 0 0 550.681 3.778 50 0 KHAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000095568823 553704788 /nfs/dbraw/zinc/70/47/88/553704788.db2.gz DYZCZKSFHSSTFH-UHFFFAOYSA-N 0 0 548.408 3.675 50 0 KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000095570034 553704823 /nfs/dbraw/zinc/70/48/23/553704823.db2.gz YVLOFXDNHFGQGO-MRXNPFEDSA-N 0 0 545.434 3.691 50 0 KHAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)[C@H](C)Oc2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000095570035 553704869 /nfs/dbraw/zinc/70/48/69/553704869.db2.gz YVLOFXDNHFGQGO-INIZCTEOSA-N 0 0 545.434 3.691 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000095570223 553704773 /nfs/dbraw/zinc/70/47/73/553704773.db2.gz HUNQLUKYGHLAFX-VXKWHMMOSA-N 0 0 536.654 3.524 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@@H]4CCCO4)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000095570224 553704837 /nfs/dbraw/zinc/70/48/37/553704837.db2.gz HUNQLUKYGHLAFX-FCHUYYIVSA-N 0 0 536.654 3.524 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2C[C@@H]2CCCO2)cc1 ZINC000095570225 553704816 /nfs/dbraw/zinc/70/48/16/553704816.db2.gz HUNQLUKYGHLAFX-YADHBBJMSA-N 0 0 536.654 3.524 50 0 KHAARN Cc1ccc(NC(=O)CSc2nc3cc(C(=O)NC[C@H]4CCCO4)ccc3c(=O)n2C[C@H]2CCCO2)cc1 ZINC000095570226 553704826 /nfs/dbraw/zinc/70/48/26/553704826.db2.gz HUNQLUKYGHLAFX-FGZHOGPDSA-N 0 0 536.654 3.524 50 0 KHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc2N2CCOCC2)cc1 ZINC000095600114 553705326 /nfs/dbraw/zinc/70/53/26/553705326.db2.gz LORQAMPUISCWOM-UHFFFAOYSA-N 0 0 555.653 3.921 50 0 KHAARN COc1ccc(C(O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000095722595 553710132 /nfs/dbraw/zinc/71/01/32/553710132.db2.gz UDDSFNVDTHTTMK-UPRLRBBYSA-N 0 0 544.604 3.519 50 0 KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000095725714 553710789 /nfs/dbraw/zinc/71/07/89/553710789.db2.gz UBTJZUKVKGZHAD-JCYYIGJDSA-N 0 0 544.604 3.519 50 0 KHAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095725723 553710831 /nfs/dbraw/zinc/71/08/31/553710831.db2.gz SDKBHKMVFPXAOA-ROQXEPJXSA-N 0 0 589.641 3.651 50 0 KHAARN O=S(=O)(c1csc(S(=O)(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1)c1ccccc1 ZINC000095725753 553711069 /nfs/dbraw/zinc/71/10/69/553711069.db2.gz POHGEEOMAKKUJR-UHFFFAOYSA-N 0 0 531.603 3.896 50 0 KHAARN O=C1CC2(CCCC2)C(=O)N1c1ccc(S(=O)(=O)NCCNc2cccc(C(F)(F)F)n2)cc1Cl ZINC000095749401 553712857 /nfs/dbraw/zinc/71/28/57/553712857.db2.gz HTUSSWWYQBWKAN-UHFFFAOYSA-N 0 0 530.956 3.968 50 0 KHAARN CC(=O)Nc1cccc(OCCCNS(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)c1 ZINC000095749402 553712828 /nfs/dbraw/zinc/71/28/28/553712828.db2.gz WYNNSYUDVBSQKH-UHFFFAOYSA-N 0 0 534.034 3.870 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](CO)O[C@H](OC)[C@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@H]2OC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000095798323 553713389 /nfs/dbraw/zinc/71/33/89/553713389.db2.gz AAOLIMLEFKWKOY-IXMSMLDRSA-N 0 0 711.633 3.836 50 0 in-vitro KHAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)OCCCCCCNC(=O)c1cc(-c2cccs2)on1 ZINC000095910941 553714784 /nfs/dbraw/zinc/71/47/84/553714784.db2.gz KZZXSHXZDYGEDW-XJABCFGWSA-N 0 0 520.677 3.962 50 0 KHAARN CCOC(=O)CCNC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2C)C1=O ZINC000095929414 553715303 /nfs/dbraw/zinc/71/53/03/553715303.db2.gz RBJDIDGYPHFNFP-MUUNZHRXSA-N 0 0 526.593 3.640 50 0 KHAARN CCOC(=O)CCNC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)c2ccccc2C)C1=O ZINC000095929415 553715263 /nfs/dbraw/zinc/71/52/63/553715263.db2.gz RBJDIDGYPHFNFP-NDEPHWFRSA-N 0 0 526.593 3.640 50 0 KHAARN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000095946400 553716134 /nfs/dbraw/zinc/71/61/34/553716134.db2.gz JARNEBHRGLQMHG-UHFFFAOYSA-N 0 0 504.244 3.995 50 0 KHAARN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 ZINC000095946485 553716141 /nfs/dbraw/zinc/71/61/41/553716141.db2.gz QKOGFERGZWUZKB-UHFFFAOYSA-N 0 0 510.678 3.646 50 0 KHAARN O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3c2cnn3Cc2ccccc2)CC1)c1ccccc1 ZINC000095948757 553716101 /nfs/dbraw/zinc/71/61/01/553716101.db2.gz DXHPBAYXNCNUPF-UHFFFAOYSA-N 0 0 516.549 3.841 50 0 KHAARN O=S(=O)(c1ccc(Nc2nc(C(F)(F)F)nc3c2cnn3Cc2ccccc2)cc1)N1CCOCC1 ZINC000095948758 553716144 /nfs/dbraw/zinc/71/61/44/553716144.db2.gz WMYYZVWBINGRNZ-UHFFFAOYSA-N 0 0 518.521 3.658 50 0 KHAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000095948964 553716112 /nfs/dbraw/zinc/71/61/12/553716112.db2.gz ZYTVPLYSTNHNCS-UHFFFAOYSA-N 0 0 508.522 3.726 50 0 KHAARN O=C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)CN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000096019609 553716575 /nfs/dbraw/zinc/71/65/75/553716575.db2.gz ASLWFKKVTSIBLI-UHFFFAOYSA-N 0 0 599.314 3.779 50 0 KHAARN Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000096019702 553716588 /nfs/dbraw/zinc/71/65/88/553716588.db2.gz HXNNJHUXFAVOPA-UHFFFAOYSA-N 0 0 530.654 3.826 50 0 KHAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000096019737 553716586 /nfs/dbraw/zinc/71/65/86/553716586.db2.gz FEULNZRFNQGLEJ-UHFFFAOYSA-N 0 0 533.683 3.542 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000096019812 553716869 /nfs/dbraw/zinc/71/68/69/553716869.db2.gz LSNGLHMDEGWDCZ-XKZIYDEJSA-N 0 0 546.992 3.998 50 0 KHAARN CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)n3-c3ccccc3)ccc21 ZINC000096019836 553716915 /nfs/dbraw/zinc/71/69/15/553716915.db2.gz ZUHYIAMPCQLDMN-UHFFFAOYSA-N 0 0 534.619 3.960 50 0 KHAARN O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000096021456 553717134 /nfs/dbraw/zinc/71/71/34/553717134.db2.gz FXEJNPJFVPKHHF-UHFFFAOYSA-N 0 0 554.264 3.544 50 0 KHAARN CCOC(=O)c1c(C)oc2nc(CN(Cc3nc4oc(C)c(C(=O)OCC)c4c(N)n3)C(C)(C)C)nc(N)c21 ZINC000096021650 553717465 /nfs/dbraw/zinc/71/74/65/553717465.db2.gz UTXSLJIUGCJNTB-UHFFFAOYSA-N 0 0 539.593 3.694 50 0 KHAARN COc1cc2nc(CN(Cc3ccc(C)cc3)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)[nH]c(=O)c2cc1OC ZINC000096021717 553717674 /nfs/dbraw/zinc/71/76/74/553717674.db2.gz IGNTVPQHRMOISL-UHFFFAOYSA-N 0 0 557.607 3.705 50 0 KHAARN O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000096021837 553717915 /nfs/dbraw/zinc/71/79/15/553717915.db2.gz LDMSLUQRAWSBNV-UHFFFAOYSA-N 0 0 592.585 3.676 50 0 KHAARN Cc1cc(Br)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(Br)c1 ZINC000096021857 553717899 /nfs/dbraw/zinc/71/78/99/553717899.db2.gz JWNYUGPLSZNWQF-OAQYLSRUSA-N 0 0 553.207 3.697 50 0 KHAARN Cc1cc(Br)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(Br)c1 ZINC000096021858 553717903 /nfs/dbraw/zinc/71/79/03/553717903.db2.gz JWNYUGPLSZNWQF-NRFANRHFSA-N 0 0 553.207 3.697 50 0 KHAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000096021880 553718095 /nfs/dbraw/zinc/71/80/95/553718095.db2.gz HOBXTSYULKYIBH-LJQANCHMSA-N 0 0 589.692 3.878 50 0 KHAARN COc1ccc(-c2csc(NC(=O)COC(=O)[C@H](CCSC)NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000096021881 553718190 /nfs/dbraw/zinc/71/81/90/553718190.db2.gz HOBXTSYULKYIBH-IBGZPJMESA-N 0 0 589.692 3.878 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)CC2)ccc1Br ZINC000096021890 553718176 /nfs/dbraw/zinc/71/81/76/553718176.db2.gz VILWWOAXLXHHKD-QHCPKHFHSA-N 0 0 542.455 3.549 50 0 KHAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000096022158 553719870 /nfs/dbraw/zinc/71/98/70/553719870.db2.gz KJADALFZRFYNDT-UHFFFAOYSA-N 0 0 589.645 3.925 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000096022191 553720047 /nfs/dbraw/zinc/72/00/47/553720047.db2.gz CDIQJJXFIHSFKD-QPJBPQEWSA-N 0 0 564.660 3.911 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000096022193 553720159 /nfs/dbraw/zinc/72/01/59/553720159.db2.gz CDIQJJXFIHSFKD-QTTRZTASSA-N 0 0 564.660 3.911 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000096022228 553720112 /nfs/dbraw/zinc/72/01/12/553720112.db2.gz OTWCFKHAYSGFFF-DKOMQPSQSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000096022230 553720089 /nfs/dbraw/zinc/72/00/89/553720089.db2.gz OTWCFKHAYSGFFF-IZBTWGKQSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096022308 553720683 /nfs/dbraw/zinc/72/06/83/553720683.db2.gz XVJYUKYGNOJGCV-UHFFFAOYSA-N 0 0 572.661 3.826 50 0 KHAARN O=C(COCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000096022619 553721829 /nfs/dbraw/zinc/72/18/29/553721829.db2.gz KYNJNFDLPKSDAF-UHFFFAOYSA-N 0 0 724.675 3.902 50 0 KHAARN CCN1CCN(C(=O)c2cccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(OC)c(OC)c3)c2)CC1 ZINC000096095945 553724033 /nfs/dbraw/zinc/72/40/33/553724033.db2.gz CXRVYBOXOBYJGX-ZIADKAODSA-N 0 0 522.671 3.751 50 0 KHAARN COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1 ZINC000096101540 553724106 /nfs/dbraw/zinc/72/41/06/553724106.db2.gz BKMVKMSOLBJIRL-UHFFFAOYSA-N 0 0 521.017 3.774 50 0 KHAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)CC1 ZINC000096114743 553725426 /nfs/dbraw/zinc/72/54/26/553725426.db2.gz OJFGYTHMOAYBRB-UHFFFAOYSA-N 0 0 519.605 3.932 50 0 biogenic KHAARN COc1cccc(N2CCN(C(=O)Cn3c4ccccc4c4c3-c3nc5ccccc5c(=O)n3CC4)CC2)c1 ZINC000096115721 553726136 /nfs/dbraw/zinc/72/61/36/553726136.db2.gz JCRHRTCLABCUPP-UHFFFAOYSA-N 0 0 519.605 3.932 50 0 biogenic KHAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)cc1OC ZINC000096116411 553726898 /nfs/dbraw/zinc/72/68/98/553726898.db2.gz YJBVJPQWONPRMX-UHFFFAOYSA-N 0 0 508.578 3.950 50 0 biogenic KHAARN CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000096134162 553727115 /nfs/dbraw/zinc/72/71/15/553727115.db2.gz OCAABPNUDJEPCV-XMMPIXPASA-N 0 0 515.654 3.791 50 0 KHAARN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000096172010 553727131 /nfs/dbraw/zinc/72/71/31/553727131.db2.gz FVKSTSJKKBSPQC-DEOSSOPVSA-N 0 0 515.654 3.925 50 0 KHAARN O=C(NCc1ccccc1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccccc1 ZINC000096210047 553728855 /nfs/dbraw/zinc/72/88/55/553728855.db2.gz NGAPIIQEMFVWCN-VWLOTQADSA-N 0 0 501.558 3.616 50 0 KHAARN O=C(NCc1ccccc1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1ccccc1 ZINC000096210048 553728883 /nfs/dbraw/zinc/72/88/83/553728883.db2.gz NGAPIIQEMFVWCN-RUZDIDTESA-N 0 0 501.558 3.616 50 0 KHAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccco1)N2C(=O)c1cccc(F)c1 ZINC000096210200 553729166 /nfs/dbraw/zinc/72/91/66/553729166.db2.gz MWAASDFERQWVKN-DEOSSOPVSA-N 0 0 505.546 3.517 50 0 KHAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccco1)N2C(=O)c1cccc(F)c1 ZINC000096210201 553729151 /nfs/dbraw/zinc/72/91/51/553729151.db2.gz MWAASDFERQWVKN-XMMPIXPASA-N 0 0 505.546 3.517 50 0 KHAARN CCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000096210248 553729143 /nfs/dbraw/zinc/72/91/43/553729143.db2.gz HUMJRLAFVJCGPQ-UHFFFAOYSA-N 0 0 515.014 3.990 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000096210275 553729378 /nfs/dbraw/zinc/72/93/78/553729378.db2.gz BXHQMAXYZIHMRD-JOCHJYFZSA-N 0 0 511.450 3.697 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000096210277 553729311 /nfs/dbraw/zinc/72/93/11/553729311.db2.gz BXHQMAXYZIHMRD-QFIPXVFZSA-N 0 0 511.450 3.697 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)C1 ZINC000096210761 553729649 /nfs/dbraw/zinc/72/96/49/553729649.db2.gz XCVWRGNMHDHBGV-MRXNPFEDSA-N 0 0 526.417 3.929 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)C1 ZINC000096210763 553729667 /nfs/dbraw/zinc/72/96/67/553729667.db2.gz XCVWRGNMHDHBGV-INIZCTEOSA-N 0 0 526.417 3.929 50 0 KHAARN CC(C)(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)N2CCOCC2)CC1 ZINC000096210878 553729652 /nfs/dbraw/zinc/72/96/52/553729652.db2.gz MDCPRWFXEFLEGB-UHFFFAOYSA-N 0 0 528.053 3.695 50 0 KHAARN CC(C)C(=O)Nc1ccc(N2CCCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)N2CCOCC2)c1 ZINC000096210923 553729653 /nfs/dbraw/zinc/72/96/53/553729653.db2.gz GUATYFQOOYUVJY-UHFFFAOYSA-N 0 0 511.598 3.637 50 0 KHAARN CC(C)NC(=S)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C ZINC000096211346 553729836 /nfs/dbraw/zinc/72/98/36/553729836.db2.gz SWWZAMXAMVSKEQ-UHFFFAOYSA-N 0 0 500.134 3.738 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096221030 553730182 /nfs/dbraw/zinc/73/01/82/553730182.db2.gz YKTMJHIFARFCOY-AOMKIAJQSA-N 0 0 523.630 3.722 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096221209 553730191 /nfs/dbraw/zinc/73/01/91/553730191.db2.gz IIJGMEQHJVWJNF-QFIPXVFZSA-N 0 0 517.582 3.914 50 0 biogenic KHAARN CCCCCCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000096221312 553730529 /nfs/dbraw/zinc/73/05/29/553730529.db2.gz NOGRSTYRKIVUNL-QFIPXVFZSA-N 0 0 525.646 3.971 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096221565 553730688 /nfs/dbraw/zinc/73/06/88/553730688.db2.gz RRXRDBHXULUEJE-QHCPKHFHSA-N 0 0 531.609 3.591 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096221641 553730574 /nfs/dbraw/zinc/73/05/74/553730574.db2.gz HIRCFOWWNLHZFV-QFIPXVFZSA-N 0 0 523.630 3.678 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096221790 553730918 /nfs/dbraw/zinc/73/09/18/553730918.db2.gz FATKHFRLYCPTEY-QFIPXVFZSA-N 0 0 523.630 3.724 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222125 553730930 /nfs/dbraw/zinc/73/09/30/553730930.db2.gz ORTKCWFJADPONZ-JTSKRJEESA-N 0 0 525.646 3.826 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC3CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222205 553730896 /nfs/dbraw/zinc/73/08/96/553730896.db2.gz KKNKVJYOHLLBGB-LVXARBLLSA-N 0 0 523.630 3.578 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222296 553730973 /nfs/dbraw/zinc/73/09/73/553730973.db2.gz NAYSLPLOXRLMKQ-QFIPXVFZSA-N 0 0 525.646 3.827 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222371 553730830 /nfs/dbraw/zinc/73/08/30/553730830.db2.gz PGFUFGFVSBPQJM-NRFANRHFSA-N 0 0 511.619 3.580 50 0 biogenic KHAARN CC[C@@H](C)NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000096222878 553731757 /nfs/dbraw/zinc/73/17/57/553731757.db2.gz OYHHJCJXTQZYCI-VGSWGCGISA-N 0 0 525.646 3.970 50 0 biogenic KHAARN CC[C@H](C)NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000096222880 553731652 /nfs/dbraw/zinc/73/16/52/553731652.db2.gz OYHHJCJXTQZYCI-JTSKRJEESA-N 0 0 525.646 3.970 50 0 biogenic KHAARN CCCn1c(C(=O)NCCN2CCOCC2)cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000096277671 553734323 /nfs/dbraw/zinc/73/43/23/553734323.db2.gz PKTKAUONPFGEKC-UHFFFAOYSA-N 0 0 505.040 3.568 50 0 KHAARN CCn1c(C(=O)NCCN2CCOCC2)cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096277680 553734586 /nfs/dbraw/zinc/73/45/86/553734586.db2.gz RKLXBGQAAAWVGF-UHFFFAOYSA-N 0 0 512.676 3.822 50 0 KHAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCc3ccco3)c3c2c(C(C)(C)C)nn3C)c1 ZINC000096278871 553735450 /nfs/dbraw/zinc/73/54/50/553735450.db2.gz YUGJURLGWLBOBD-HSZRJFAPSA-N 0 0 512.632 3.813 50 0 KHAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCc3ccco3)c3c2c(C(C)(C)C)nn3C)c1 ZINC000096278872 553735436 /nfs/dbraw/zinc/73/54/36/553735436.db2.gz YUGJURLGWLBOBD-QHCPKHFHSA-N 0 0 512.632 3.813 50 0 KHAARN COC(=O)c1ccccc1CS(=O)(=O)Nc1cccc(-n2nc(OC)nc2-c2cccc(OC)c2)c1 ZINC000096278925 553735783 /nfs/dbraw/zinc/73/57/83/553735783.db2.gz WDSZNPYGXOBWFE-UHFFFAOYSA-N 0 0 508.556 3.680 50 0 KHAARN CCS(=O)(=O)c1ccc2oc(-c3ccccc3OS(=O)(=O)c3ccsc3C(=O)OC)nc2c1 ZINC000096279084 553735720 /nfs/dbraw/zinc/73/57/20/553735720.db2.gz OBKUDFZSWSFOBM-UHFFFAOYSA-N 0 0 507.567 3.904 50 0 KHAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(OS(=O)(=O)c4ccsc4C(=O)OC)c3)nc2c1 ZINC000096279092 553736047 /nfs/dbraw/zinc/73/60/47/553736047.db2.gz UGSPOLNMDPZWMG-UHFFFAOYSA-N 0 0 507.567 3.904 50 0 KHAARN COC(=O)c1sccc1S(=O)(=O)Oc1ccc(-c2nc3ccccc3o2)cc1CN1CCOCC1 ZINC000096279519 553735971 /nfs/dbraw/zinc/73/59/71/553735971.db2.gz HBMJZIJZFYUIHO-UHFFFAOYSA-N 0 0 514.581 3.943 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4F)C(C)C)CC3)nn2)cc1 ZINC000096280005 553736592 /nfs/dbraw/zinc/73/65/92/553736592.db2.gz SLICWAQZTFXLDX-UHFFFAOYSA-N 0 0 505.594 3.881 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccc(F)c4)C(C)C)CC3)nn2)cc1 ZINC000096280006 553736564 /nfs/dbraw/zinc/73/65/64/553736564.db2.gz KFEYLFIVHHXAHN-UHFFFAOYSA-N 0 0 505.594 3.881 50 0 KHAARN COc1cccc(CN(Cc2nc(C(=O)NCCc3ccccn3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000096280052 553736515 /nfs/dbraw/zinc/73/65/15/553736515.db2.gz IYNQFFJLLZHLAY-UHFFFAOYSA-N 0 0 500.555 3.982 50 0 KHAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(C)cc1 ZINC000096280086 553736535 /nfs/dbraw/zinc/73/65/35/553736535.db2.gz VAMITOMDVWFWBV-UHFFFAOYSA-N 0 0 501.631 3.588 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)C(C)C)cc1 ZINC000096280108 553736544 /nfs/dbraw/zinc/73/65/44/553736544.db2.gz CSONBBDKTMRIKV-UHFFFAOYSA-N 0 0 517.630 3.750 50 0 KHAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1C ZINC000096280125 553736589 /nfs/dbraw/zinc/73/65/89/553736589.db2.gz IDONWPMFYJENFD-UHFFFAOYSA-N 0 0 517.630 3.670 50 0 KHAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)C1CCC1 ZINC000096280146 553736893 /nfs/dbraw/zinc/73/68/93/553736893.db2.gz KPIVKVGLBMSRCR-UHFFFAOYSA-N 0 0 509.651 3.628 50 0 KHAARN CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)nc2c1CN(C(=O)c1ccccc1OC)CC2 ZINC000096280923 553736853 /nfs/dbraw/zinc/73/68/53/553736853.db2.gz LATJERIBCJNEJE-UHFFFAOYSA-N 0 0 500.647 3.775 50 0 KHAARN COc1ccccc1C(=O)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N(C)C(C)C)c2C1 ZINC000096280939 553737134 /nfs/dbraw/zinc/73/71/34/553737134.db2.gz BYMGFQVLFQHZJZ-UHFFFAOYSA-N 0 0 500.647 3.855 50 0 KHAARN COc1cccc(NC(=O)Nc2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc2)c1 ZINC000096281043 553737043 /nfs/dbraw/zinc/73/70/43/553737043.db2.gz NXFNICWKLHEAMX-UHFFFAOYSA-N 0 0 501.996 3.899 50 0 KHAARN O=C(NN1CCOCC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)C2CC2)CC3)o1 ZINC000096281201 553737225 /nfs/dbraw/zinc/73/72/25/553737225.db2.gz FVMNQYXQTQXKBX-HHHXNRCGSA-N 0 0 501.583 3.720 50 0 KHAARN O=C(NN1CCOCC1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)C2CC2)CC3)o1 ZINC000096281202 553737176 /nfs/dbraw/zinc/73/71/76/553737176.db2.gz FVMNQYXQTQXKBX-MHZLTWQESA-N 0 0 501.583 3.720 50 0 KHAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C[C@@H]1CCCO1 ZINC000096288102 553739149 /nfs/dbraw/zinc/73/91/49/553739149.db2.gz QEYGJLADMBESPE-INIZCTEOSA-N 0 0 518.415 3.924 50 0 KHAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)C[C@H]1CCCO1 ZINC000096288103 553739227 /nfs/dbraw/zinc/73/92/27/553739227.db2.gz QEYGJLADMBESPE-MRXNPFEDSA-N 0 0 518.415 3.924 50 0 KHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)c1)C(=O)NC(C)(C)C ZINC000096288202 553739202 /nfs/dbraw/zinc/73/92/02/553739202.db2.gz LLMWDJOXEZVSCL-UHFFFAOYSA-N 0 0 506.621 3.976 50 0 KHAARN COCCN(Cc1cccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)c1)C(=O)c1ccco1 ZINC000096288222 553739602 /nfs/dbraw/zinc/73/96/02/553739602.db2.gz KDUZKBVRHGZJLS-UHFFFAOYSA-N 0 0 501.557 3.901 50 0 KHAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NC[C@@H]3CCCO3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000096288248 553739506 /nfs/dbraw/zinc/73/95/06/553739506.db2.gz YYROBIRZCBYUHV-DHLKQENFSA-N 0 0 518.614 3.735 50 0 KHAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000096288249 553739511 /nfs/dbraw/zinc/73/95/11/553739511.db2.gz YYROBIRZCBYUHV-WIOPSUGQSA-N 0 0 518.614 3.735 50 0 KHAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NC[C@H]3CCCO3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000096288250 553739403 /nfs/dbraw/zinc/73/94/03/553739403.db2.gz YYROBIRZCBYUHV-RDGATRHJSA-N 0 0 518.614 3.735 50 0 KHAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NC[C@H]3CCCO3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000096288251 553739565 /nfs/dbraw/zinc/73/95/65/553739565.db2.gz YYROBIRZCBYUHV-RCZVLFRGSA-N 0 0 518.614 3.735 50 0 KHAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C[C@@H]1CCCO1 ZINC000096288457 553739704 /nfs/dbraw/zinc/73/97/04/553739704.db2.gz MARAKXFFEHWCSK-SFHVURJKSA-N 0 0 517.522 3.636 50 0 KHAARN COCC(=O)N(Cc1ccc(OC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C[C@H]1CCCO1 ZINC000096288458 553739964 /nfs/dbraw/zinc/73/99/64/553739964.db2.gz MARAKXFFEHWCSK-GOSISDBHSA-N 0 0 517.522 3.636 50 0 KHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)cc1)C(=O)c1ccco1 ZINC000096290494 553743586 /nfs/dbraw/zinc/74/35/86/553743586.db2.gz PXWDRELCQBJMSU-UHFFFAOYSA-N 0 0 501.557 3.901 50 0 KHAARN COCCN(Cc1ccc(OS(=O)(=O)c2ccccc2C(=O)OC(C)C)cc1)C(=O)NC(C)(C)C ZINC000096290646 553743807 /nfs/dbraw/zinc/74/38/07/553743807.db2.gz WLCFCGWYTDSKNB-UHFFFAOYSA-N 0 0 506.621 3.976 50 0 KHAARN COC(=O)c1coc(Cn2cnc3c2c(=O)n(CCc2ccccc2)c(=O)n3-c2ccc(C(C)C)cc2)n1 ZINC000096292351 553746216 /nfs/dbraw/zinc/74/62/16/553746216.db2.gz SIGZIAHARBJZJB-UHFFFAOYSA-N 0 0 513.554 3.538 50 0 KHAARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@@H]2CCCO2)C(=O)COC)cc1 ZINC000096294092 553747254 /nfs/dbraw/zinc/74/72/54/553747254.db2.gz DGWBYSAJKSZUDG-QFIPXVFZSA-N 0 0 519.616 3.565 50 0 KHAARN CCCCOC(=O)c1ccccc1S(=O)(=O)Oc1ccc(CN(C[C@H]2CCCO2)C(=O)COC)cc1 ZINC000096294093 553747573 /nfs/dbraw/zinc/74/75/73/553747573.db2.gz DGWBYSAJKSZUDG-JOCHJYFZSA-N 0 0 519.616 3.565 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(C)cc1 ZINC000096294351 553747496 /nfs/dbraw/zinc/74/74/96/553747496.db2.gz SDKQODUZQPYPSZ-SANMLTNESA-N 0 0 509.626 3.566 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(C)cc1 ZINC000096294352 553747583 /nfs/dbraw/zinc/74/75/83/553747583.db2.gz SDKQODUZQPYPSZ-AREMUKBSSA-N 0 0 509.626 3.566 50 0 KHAARN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000096300085 553748786 /nfs/dbraw/zinc/74/87/86/553748786.db2.gz FVKSTSJKKBSPQC-XMMPIXPASA-N 0 0 515.654 3.925 50 0 KHAARN O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000096301230 553748706 /nfs/dbraw/zinc/74/87/06/553748706.db2.gz IPXLTZOGSXMVHT-SDHSZQHLSA-N 0 0 523.630 3.989 50 0 KHAARN CCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(OC)cc2)CC1 ZINC000096317414 553750107 /nfs/dbraw/zinc/75/01/07/553750107.db2.gz IMBFMCUXUFLJGE-UHFFFAOYSA-N 0 0 510.660 3.751 50 0 KHAARN CCCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2cccc(OC)c2)CC1 ZINC000096317521 553750146 /nfs/dbraw/zinc/75/01/46/553750146.db2.gz YQTGNUSBGXNHSI-UHFFFAOYSA-N 0 0 510.660 3.751 50 0 KHAARN COCc1nc(-c2ccccc2)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317662 553750427 /nfs/dbraw/zinc/75/04/27/553750427.db2.gz DTOMDUFUWFDHTQ-UHFFFAOYSA-N 0 0 520.577 3.981 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1Cl ZINC000096324082 553752060 /nfs/dbraw/zinc/75/20/60/553752060.db2.gz MNWJRNAMMKEIPD-UHFFFAOYSA-N 0 0 510.037 3.928 50 0 KHAARN CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)ccc21 ZINC000096326876 553752155 /nfs/dbraw/zinc/75/21/55/553752155.db2.gz SGWAPMPTIMILJA-UHFFFAOYSA-N 0 0 519.048 3.754 50 0 KHAARN COc1ccc(NC(=O)CCC(=O)Nc2nc(C(=O)Oc3ccc(OC)nc3)c(CC(C)C)s2)cn1 ZINC000096343647 553752623 /nfs/dbraw/zinc/75/26/23/553752623.db2.gz PKEOGSOVTMAPSJ-UHFFFAOYSA-N 0 0 513.576 3.725 50 0 KHAARN O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(Sc2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000096346437 553752522 /nfs/dbraw/zinc/75/25/22/553752522.db2.gz AOAFSEFJONTRFX-QGZVFWFLSA-N 0 0 521.638 3.580 50 0 KHAARN O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(Sc2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000096346438 553752605 /nfs/dbraw/zinc/75/26/05/553752605.db2.gz AOAFSEFJONTRFX-KRWDZBQOSA-N 0 0 521.638 3.580 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(OC(F)F)c3)C2=O)cc(OC)c1OC ZINC000096398797 553753345 /nfs/dbraw/zinc/75/33/45/553753345.db2.gz HQWJBWUYFZFCJU-WOJGMQOQSA-N 0 0 508.499 3.780 50 0 KHAARN CCc1ccccc1OCC(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000096398802 553753328 /nfs/dbraw/zinc/75/33/28/553753328.db2.gz CURJJOKCWSFRRQ-KGENOOAVSA-N 0 0 500.573 3.506 50 0 KHAARN O=C(CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000096400891 553753925 /nfs/dbraw/zinc/75/39/25/553753925.db2.gz LPLPMWWPHRKPQQ-RGVLZGJSSA-N 0 0 515.544 3.572 50 0 KHAARN CCOC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccc(OC)cc1OC ZINC000096487137 553754893 /nfs/dbraw/zinc/75/48/93/553754893.db2.gz RPMCVTNZXCTPJR-ZEQRLZLVSA-N 0 0 509.603 3.808 50 0 KHAARN CCOC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccc(OC)cc1OC ZINC000096487139 553754813 /nfs/dbraw/zinc/75/48/13/553754813.db2.gz RPMCVTNZXCTPJR-RPWUZVMVSA-N 0 0 509.603 3.808 50 0 KHAARN CCOC(=O)c1cn(Cc2ccc(Cl)cc2)nc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000096511496 553755367 /nfs/dbraw/zinc/75/53/67/553755367.db2.gz PUXJRTWHJJQFHY-UHFFFAOYSA-N 0 0 517.051 3.889 50 0 KHAARN COC(=O)c1cc(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c(NC(C)=O)cc1OC ZINC000096568810 553755850 /nfs/dbraw/zinc/75/58/50/553755850.db2.gz SZXPCHIFAMCJMX-UHFFFAOYSA-N 0 0 506.536 3.863 50 0 KHAARN CCc1nnc(-n2nc(C)cc2C)n1N1[C@H](n2nnc3ccccc32)CCC[C@@H]1n1nnc2ccccc21 ZINC000096568848 553755896 /nfs/dbraw/zinc/75/58/96/553755896.db2.gz UFSHTULYKRKWHV-PLQXJYEYSA-N 0 0 508.594 3.652 50 0 KHAARN CCc1nnc(-n2nc(C)cc2C)n1N1[C@@H](n2nnc3ccccc32)CCC[C@@H]1n1nnc2ccccc21 ZINC000096568849 553755835 /nfs/dbraw/zinc/75/58/35/553755835.db2.gz UFSHTULYKRKWHV-JWQCQUIFSA-N 0 0 508.594 3.652 50 0 KHAARN CCc1nnc(-n2nc(C)cc2C)n1N1[C@H](n2nnc3ccccc32)CCC[C@H]1n1nnc2ccccc21 ZINC000096568850 553755894 /nfs/dbraw/zinc/75/58/94/553755894.db2.gz UFSHTULYKRKWHV-DQEYMECFSA-N 0 0 508.594 3.652 50 0 KHAARN O=C(c1ccc(F)cc1)[C@@H](CC[C@@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000096581458 553756104 /nfs/dbraw/zinc/75/61/04/553756104.db2.gz VCYZJDKOQWALDU-ZEQRLZLVSA-N 0 0 500.586 3.707 50 0 KHAARN O=C(c1ccc(F)cc1)[C@H](CC[C@@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000096581461 553756098 /nfs/dbraw/zinc/75/60/98/553756098.db2.gz VCYZJDKOQWALDU-PSWAGMNNSA-N 0 0 500.586 3.707 50 0 KHAARN O=C(c1ccc(F)cc1)[C@H](CC[C@H](CN1CCOCC1)C(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000096581464 553756100 /nfs/dbraw/zinc/75/61/00/553756100.db2.gz VCYZJDKOQWALDU-DNQXCXABSA-N 0 0 500.586 3.707 50 0 KHAARN CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc1-c1ccccc1 ZINC000096581743 553756351 /nfs/dbraw/zinc/75/63/51/553756351.db2.gz SFPUWCDSSFQRIB-UHFFFAOYSA-N 0 0 520.533 3.850 50 0 KHAARN O=C(Nc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2ccco2)CC1)c1ccco1 ZINC000096594181 553756686 /nfs/dbraw/zinc/75/66/86/553756686.db2.gz WAMYPUXEIHCRSW-UHFFFAOYSA-N 0 0 512.522 3.975 50 0 KHAARN C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000096793200 553757574 /nfs/dbraw/zinc/75/75/74/553757574.db2.gz NLTVTRFQPWPDRV-DWACAAAGSA-N 0 0 529.710 3.952 50 0 KHAARN C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000096793201 553757603 /nfs/dbraw/zinc/75/76/03/553757603.db2.gz NLTVTRFQPWPDRV-DFHRPNOPSA-N 0 0 529.710 3.952 50 0 KHAARN C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000096793202 553757629 /nfs/dbraw/zinc/75/76/29/553757629.db2.gz NLTVTRFQPWPDRV-RBISFHTESA-N 0 0 529.710 3.952 50 0 KHAARN C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000096793203 553757546 /nfs/dbraw/zinc/75/75/46/553757546.db2.gz NLTVTRFQPWPDRV-SKCUWOTOSA-N 0 0 529.710 3.952 50 0 KHAARN O=C(C=Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)c1ccc2c(c1)OCCO2 ZINC000097656569 1066841933 /nfs/dbraw/zinc/84/19/33/1066841933.db2.gz BIRGFEQVZRVLQE-GHXNOFRVSA-N 0 0 505.548 3.649 50 0 KHAARN CCOc1cc(/C=C\C(=O)OCC(=O)NC(=O)NCC(C)C)ccc1OCCOc1ccc(F)cc1 ZINC000097658468 1066208195 /nfs/dbraw/zinc/20/81/95/1066208195.db2.gz FOVYPEXGHHOKDT-SDQBBNPISA-N 0 0 502.539 3.720 50 0 KHAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 ZINC000097674650 553759222 /nfs/dbraw/zinc/75/92/22/553759222.db2.gz HCCPBZXCBZYQFJ-XPFMCRKWSA-N 0 0 521.686 3.602 50 0 KHAARN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 ZINC000097674651 553759227 /nfs/dbraw/zinc/75/92/27/553759227.db2.gz HCCPBZXCBZYQFJ-YFQSIASUSA-N 0 0 521.686 3.602 50 0 KHAARN CCCCN1C(=O)c2ccc(C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)cc4)C3=O)cc2C1=O ZINC000097675915 553759107 /nfs/dbraw/zinc/75/91/07/553759107.db2.gz DYEVSIQVPGCMKP-KGENOOAVSA-N 0 0 507.568 3.558 50 0 KHAARN Cc1cc(C)cc(-n2c(CN3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)nc3cccnc32)c1 ZINC000097937935 553759441 /nfs/dbraw/zinc/75/94/41/553759441.db2.gz XYMODWPYTDSDSI-UHFFFAOYSA-N 0 0 519.656 3.549 50 0 KHAARN FC(F)(F)C(Oc1nc(Nc2ccc(I)cc2)nc(N2CCOCC2)n1)C(F)(F)F ZINC000097940218 553763753 /nfs/dbraw/zinc/76/37/53/553763753.db2.gz JIKKZQTXJFXYGS-UHFFFAOYSA-N 0 0 549.213 3.928 50 0 KHAARN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)cc1 ZINC000097940303 553764386 /nfs/dbraw/zinc/76/43/86/553764386.db2.gz IOTGNZOEPAOHLT-UHFFFAOYSA-N 0 0 619.313 3.677 50 0 KHAARN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000097940320 553764623 /nfs/dbraw/zinc/76/46/23/553764623.db2.gz DJJOSAOGAPJTPX-UHFFFAOYSA-N 0 0 566.746 3.978 50 0 KHAARN O=C(CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097940356 553764885 /nfs/dbraw/zinc/76/48/85/553764885.db2.gz WIHWIILKPSNFEO-UHFFFAOYSA-N 0 0 576.741 3.783 50 0 KHAARN COc1ccc(C(=O)Nc2nonc2NC(=O)c2ccc(OC)c(I)c2)cc1I ZINC000097940370 553764919 /nfs/dbraw/zinc/76/49/19/553764919.db2.gz ORRYZRXUDOICCG-UHFFFAOYSA-N 0 0 620.141 3.801 50 0 KHAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 ZINC000097940393 553764927 /nfs/dbraw/zinc/76/49/27/553764927.db2.gz FGMGIQPASQAATP-HXUWFJFHSA-N 0 0 552.480 3.530 50 0 KHAARN O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 ZINC000097940394 553764931 /nfs/dbraw/zinc/76/49/31/553764931.db2.gz FGMGIQPASQAATP-FQEVSTJZSA-N 0 0 552.480 3.530 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CCC(=O)OCCc3ccccc3)cc2)cc1 ZINC000097940403 553764872 /nfs/dbraw/zinc/76/48/72/553764872.db2.gz QPVZARXCOPEAFQ-UHFFFAOYSA-N 0 0 541.651 3.875 50 0 KHAARN COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)cc(OC)c1OC ZINC000097940635 553766720 /nfs/dbraw/zinc/76/67/20/553766720.db2.gz UWYWNOOSQYJJTB-UHFFFAOYSA-N 0 0 538.548 3.699 50 0 KHAARN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000097940647 553766701 /nfs/dbraw/zinc/76/67/01/553766701.db2.gz MEUTURMLIFLQCP-UHFFFAOYSA-N 0 0 534.469 3.798 50 0 KHAARN COc1cc(-c2ccnc(N3CCN(C(=O)COc4c(F)c(F)c(F)c(F)c4F)CC3)n2)cc(OC)c1OC ZINC000097940659 553766954 /nfs/dbraw/zinc/76/69/54/553766954.db2.gz OQVVMGUEZDNMAE-UHFFFAOYSA-N 0 0 554.472 3.593 50 0 KHAARN COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)cc(OC)c1OC ZINC000097940661 553766986 /nfs/dbraw/zinc/76/69/86/553766986.db2.gz SYVHNDWHUGWYGV-UHFFFAOYSA-N 0 0 539.441 3.987 50 0 KHAARN COc1cc(-c2ccnc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc(OC)c1OC ZINC000097940663 553766960 /nfs/dbraw/zinc/76/69/60/553766960.db2.gz RMHMLXNJUMAFFR-UHFFFAOYSA-N 0 0 539.441 3.987 50 0 KHAARN O=C(CCC(=O)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000097942037 553767958 /nfs/dbraw/zinc/76/79/58/553767958.db2.gz QNADHAFPGZFCOX-UHFFFAOYSA-N 0 0 524.625 3.589 50 0 KHAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)CCc2nc3cc(Cl)ccc3[nH]2)CC4)cc1 ZINC000097942143 553767996 /nfs/dbraw/zinc/76/79/96/553767996.db2.gz UODZRBDAPHTJKW-UHFFFAOYSA-N 0 0 502.962 3.745 50 0 KHAARN COc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CN(C(=O)CCc2nc(-c3cccc(C)c3)no2)CC4)cc1 ZINC000097942146 553767978 /nfs/dbraw/zinc/76/79/78/553767978.db2.gz VTLTYTCVGVOADM-UHFFFAOYSA-N 0 0 510.554 3.574 50 0 KHAARN CCCn1nc(C)c(-c2cc(C(=O)N3CCc4[nH]c5cc(-c6ccc(OC)cc6)nn5c(=O)c4C3)[nH]n2)c1C ZINC000097942147 553768026 /nfs/dbraw/zinc/76/80/26/553768026.db2.gz MDPSPDAYEASECN-UHFFFAOYSA-N 0 0 526.601 3.510 50 0 KHAARN Cc1c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000097944197 553769087 /nfs/dbraw/zinc/76/90/87/553769087.db2.gz PILUXIJYFKKUDT-LDADJPATSA-N 0 0 527.400 3.922 50 0 KHAARN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000097944422 553769264 /nfs/dbraw/zinc/76/92/64/553769264.db2.gz UCHGPHNXOCDKOS-QKSFETHESA-N 0 0 527.577 3.800 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097944508 553770099 /nfs/dbraw/zinc/77/00/99/553770099.db2.gz BPEQQUKBWXWCKT-CBYYHRJHSA-N 0 0 547.633 3.614 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000097944907 553770310 /nfs/dbraw/zinc/77/03/10/553770310.db2.gz IZVDMOAHXRITKV-HZHYMEEXSA-N 0 0 559.669 3.877 50 0 KHAARN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000097944927 553770370 /nfs/dbraw/zinc/77/03/70/553770370.db2.gz ARXRYVZWBDDQOX-FBRKSOCZSA-N 0 0 571.630 3.955 50 0 KHAARN O=C(c1ccc2c(c1)OCO2)N(C(=O)c1ccc2c(c1)OCO2)c1ccc(I)cn1 ZINC000097945242 553770642 /nfs/dbraw/zinc/77/06/42/553770642.db2.gz HYSKVEJPDSMRFX-UHFFFAOYSA-N 0 0 516.247 3.631 50 0 KHAARN COc1cc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc(OC)c1OC ZINC000097945309 553771193 /nfs/dbraw/zinc/77/11/93/553771193.db2.gz SHZMOJIRTCKEAZ-UHFFFAOYSA-N 0 0 521.920 3.759 50 0 KHAARN Cc1sc2nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n(Cc3cccnc3)c(=O)c2c1C ZINC000097945411 553771919 /nfs/dbraw/zinc/77/19/19/553771919.db2.gz OHLWFOBIAMXJGZ-UHFFFAOYSA-N 0 0 525.681 3.898 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccn(C)n3)n1C[C@@H]1CCCO1)CCCC2 ZINC000097945533 553772909 /nfs/dbraw/zinc/77/29/09/553772909.db2.gz UUNDXWFXYFZPQS-HNNXBMFYSA-N 0 0 530.676 3.705 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccn(C)n3)n1C[C@H]1CCCO1)CCCC2 ZINC000097945534 553772916 /nfs/dbraw/zinc/77/29/16/553772916.db2.gz UUNDXWFXYFZPQS-OAHLLOKOSA-N 0 0 530.676 3.705 50 0 KHAARN Cn1nccc1-c1cc(-c2ccnn2C)n2nc(C(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)cc2n1 ZINC000097945542 553772918 /nfs/dbraw/zinc/77/29/18/553772918.db2.gz YRYMQVBKGPHYDV-UHFFFAOYSA-N 0 0 530.955 3.820 50 0 KHAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000097945573 553773220 /nfs/dbraw/zinc/77/32/20/553773220.db2.gz SZIKFQMGBLXQGX-UHFFFAOYSA-N 0 0 531.631 3.594 50 0 KHAARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)n1CC ZINC000097945574 553773140 /nfs/dbraw/zinc/77/31/40/553773140.db2.gz DHNOIMDIYFZFLH-UHFFFAOYSA-N 0 0 531.660 3.953 50 0 KHAARN COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000097945657 553773827 /nfs/dbraw/zinc/77/38/27/553773827.db2.gz YXXVPYFHLADDAF-UHFFFAOYSA-N 0 0 533.533 3.888 50 0 KHAARN Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(Cc1ccc(F)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097945660 553773904 /nfs/dbraw/zinc/77/39/04/553773904.db2.gz VDGVQFKQALNCIZ-UHFFFAOYSA-N 0 0 533.629 3.782 50 0 KHAARN COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000097945669 553773916 /nfs/dbraw/zinc/77/39/16/553773916.db2.gz RSFPQIQKWFMZIV-UHFFFAOYSA-N 0 0 534.059 3.800 50 0 KHAARN O=S(=O)(c1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000097945773 553774615 /nfs/dbraw/zinc/77/46/15/553774615.db2.gz UZIQLNADNBYIAM-UHFFFAOYSA-N 0 0 536.723 3.812 50 0 KHAARN O=C(CN(C(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000097946094 553776461 /nfs/dbraw/zinc/77/64/61/553776461.db2.gz MZHLQFKDBBJKOL-VPBXCIAMSA-N 0 0 541.604 3.782 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946113 553776686 /nfs/dbraw/zinc/77/66/86/553776686.db2.gz CAOODUHAMWSFCN-ZDQFFALBSA-N 0 0 623.481 4.000 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946114 553776681 /nfs/dbraw/zinc/77/66/81/553776681.db2.gz CAOODUHAMWSFCN-QKSFETHESA-N 0 0 623.481 4.000 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097946176 553777208 /nfs/dbraw/zinc/77/72/08/553777208.db2.gz MJKCANXUBLHNSI-ASSGYOTOSA-N 0 0 534.634 3.903 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097946177 553777167 /nfs/dbraw/zinc/77/71/67/553777167.db2.gz MJKCANXUBLHNSI-OGRZUZBBSA-N 0 0 534.634 3.903 50 0 KHAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000097946235 553777605 /nfs/dbraw/zinc/77/76/05/553777605.db2.gz LXXLLOVYMYAKDP-FUFNRSNVSA-N 0 0 594.686 3.920 50 0 KHAARN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000097946236 553777654 /nfs/dbraw/zinc/77/76/54/553777654.db2.gz LXXLLOVYMYAKDP-PRLWALMFSA-N 0 0 594.686 3.920 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000097946254 553777966 /nfs/dbraw/zinc/77/79/66/553777966.db2.gz ZFXGZJOLDMCEOE-BUDNTJSZSA-N 0 0 622.696 3.692 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000097946255 553777923 /nfs/dbraw/zinc/77/79/23/553777923.db2.gz ZFXGZJOLDMCEOE-FCVOFCDTSA-N 0 0 622.696 3.692 50 0 KHAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946263 553777976 /nfs/dbraw/zinc/77/79/76/553777976.db2.gz PKYGDLHQEFGOFW-YRSDHNRQSA-N 0 0 594.686 3.776 50 0 KHAARN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000097946264 553777895 /nfs/dbraw/zinc/77/78/95/553777895.db2.gz PKYGDLHQEFGOFW-DQARITGZSA-N 0 0 594.686 3.776 50 0 KHAARN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097946269 553777898 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MWUDVKCAJIPZNN-UHFFFAOYSA-N 0 0 520.181 3.799 50 0 KHAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1cccc([C@](O)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000097949527 553802268 /nfs/dbraw/zinc/80/22/68/553802268.db2.gz UXJIZQGLFCJGLO-LEWJYISDSA-N 0 0 536.425 3.663 50 0 KHAARN CCOC(=O)[C@](O)(c1cccc(N[C@@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000097949528 553802222 /nfs/dbraw/zinc/80/22/22/553802222.db2.gz UXJIZQGLFCJGLO-NHCUHLMSSA-N 0 0 536.425 3.663 50 0 KHAARN CCOC(=O)[C@@](O)(c1cccc(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000097949529 553802230 /nfs/dbraw/zinc/80/22/30/553802230.db2.gz UXJIZQGLFCJGLO-SFTDATJTSA-N 0 0 536.425 3.663 50 0 KHAARN CCOC(=O)[C@](O)(c1cccc(N[C@](NC(=O)c2ccccc2)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000097949530 553802260 /nfs/dbraw/zinc/80/22/60/553802260.db2.gz UXJIZQGLFCJGLO-RTWAWAEBSA-N 0 0 536.425 3.663 50 0 KHAARN Cn1c2ncn(C[C@@H](COCc3c(F)cccc3Cl)OCc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000097949803 553803143 /nfs/dbraw/zinc/80/31/43/553803143.db2.gz RTZBOIBWMZZHCG-AWEZNQCLSA-N 0 0 539.366 3.821 50 0 KHAARN Cn1c2ncn(C[C@H](COCc3c(F)cccc3Cl)OCc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000097949804 553803096 /nfs/dbraw/zinc/80/30/96/553803096.db2.gz RTZBOIBWMZZHCG-CQSZACIVSA-N 0 0 539.366 3.821 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097950335 553804067 /nfs/dbraw/zinc/80/40/67/553804067.db2.gz MAUPTGGBCOZDOP-FEYWKWKCSA-N 0 0 536.053 3.967 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097950336 553803983 /nfs/dbraw/zinc/80/39/83/553803983.db2.gz MAUPTGGBCOZDOP-UGUGFTGJSA-N 0 0 536.053 3.967 50 0 KHAARN CC(C)[C@H](C(=O)NCCCCCCCNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000097950521 553804551 /nfs/dbraw/zinc/80/45/51/553804551.db2.gz NCVSSISBNFBYRI-MKPDMIMOSA-N 0 0 588.705 3.811 50 0 KHAARN CC(C)[C@H](C(=O)NCCCCCCCNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000097950522 553804528 /nfs/dbraw/zinc/80/45/28/553804528.db2.gz NCVSSISBNFBYRI-KAYWLYCHSA-N 0 0 588.705 3.811 50 0 KHAARN CC(C)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000097950523 553804558 /nfs/dbraw/zinc/80/45/58/553804558.db2.gz NCVSSISBNFBYRI-SVBPBHIXSA-N 0 0 588.705 3.811 50 0 KHAARN O=C(NCCOCCOCCNC(=O)Nc1cccc(I)c1)Nc1cccc(I)c1 ZINC000097950583 553804779 /nfs/dbraw/zinc/80/47/79/553804779.db2.gz JVPBTJMERBLCBJ-UHFFFAOYSA-N 0 0 638.244 3.872 50 0 KHAARN O=C(CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)NCCN1CCOCC1 ZINC000097951036 553806800 /nfs/dbraw/zinc/80/68/00/553806800.db2.gz GCQMQDIIKWVFTQ-UHFFFAOYSA-N 0 0 526.713 3.710 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097951126 553807206 /nfs/dbraw/zinc/80/72/06/553807206.db2.gz HGVBCOUCQHHWPY-IUKMQXEJSA-N 0 0 545.661 3.712 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097951127 553807221 /nfs/dbraw/zinc/80/72/21/553807221.db2.gz HGVBCOUCQHHWPY-NPJIAGGLSA-N 0 0 545.661 3.712 50 0 KHAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NC(C)(C)CO)c3)c3ccccc32)ccc1OC ZINC000097951596 553809937 /nfs/dbraw/zinc/80/99/37/553809937.db2.gz IPNKYYXGSGZZDO-UHFFFAOYSA-N 0 0 549.653 3.766 50 0 KHAARN O=C(NCCN1CCN(Cc2c(Cl)cccc2Cl)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000097951717 553810911 /nfs/dbraw/zinc/81/09/11/553810911.db2.gz NLFUERKMHZOESP-UHFFFAOYSA-N 0 0 514.251 3.628 50 0 KHAARN CNC(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)cc1 ZINC000097951739 553810810 /nfs/dbraw/zinc/81/08/10/553810810.db2.gz OHAATYSEBWEFMH-UHFFFAOYSA-N 0 0 530.654 3.645 50 0 KHAARN CCN(CC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(OC)cc1 ZINC000097951949 553812328 /nfs/dbraw/zinc/81/23/28/553812328.db2.gz AFJRYZMAUXCGSW-UHFFFAOYSA-N 0 0 523.396 3.959 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2cccs2)cc1 ZINC000097952061 553812937 /nfs/dbraw/zinc/81/29/37/553812937.db2.gz AYBTUTRJRUEUPM-HXUWFJFHSA-N 0 0 536.635 3.596 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2cccs2)cc1 ZINC000097952062 553812981 /nfs/dbraw/zinc/81/29/81/553812981.db2.gz AYBTUTRJRUEUPM-FQEVSTJZSA-N 0 0 536.635 3.596 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(NC(=O)c3cccs3)C2=S)cc1 ZINC000097952112 553813203 /nfs/dbraw/zinc/81/32/03/553813203.db2.gz FKLMIEMSUKMQNH-IBGZPJMESA-N 0 0 522.608 3.601 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(NC(=O)c3cccs3)C2=S)cc1 ZINC000097952113 553813252 /nfs/dbraw/zinc/81/32/52/553813252.db2.gz FKLMIEMSUKMQNH-LJQANCHMSA-N 0 0 522.608 3.601 50 0 KHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097953863 553819668 /nfs/dbraw/zinc/81/96/68/553819668.db2.gz ZKCLJZYZMRCQSK-INIZCTEOSA-N 0 0 541.638 3.518 50 0 KHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000097953864 553820067 /nfs/dbraw/zinc/82/00/67/553820067.db2.gz ZKCLJZYZMRCQSK-MRXNPFEDSA-N 0 0 541.638 3.518 50 0 KHAARN COc1ccccc1NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCN(C)C3 ZINC000097954081 553821355 /nfs/dbraw/zinc/82/13/55/553821355.db2.gz CCQOZWPOCPSIRD-UHFFFAOYSA-N 0 0 532.651 3.822 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CCN(C)C4)cc1 ZINC000097954188 553821866 /nfs/dbraw/zinc/82/18/66/553821866.db2.gz FDWBXNKYGLVDHN-UHFFFAOYSA-N 0 0 532.651 3.822 50 0 KHAARN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCCCN2CCOCC2)n1 ZINC000097954211 553822233 /nfs/dbraw/zinc/82/22/33/553822233.db2.gz DJDOUMPNPOMGCY-UHFFFAOYSA-N 0 0 544.747 3.784 50 0 KHAARN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000097954434 553823174 /nfs/dbraw/zinc/82/31/74/553823174.db2.gz OQJYFRXZUDHKGP-NXCFDTQHSA-N 0 0 524.533 3.699 50 0 KHAARN COc1ccc(CCn2c(-c3ccc(Cl)cc3Cl)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC ZINC000097954564 553824186 /nfs/dbraw/zinc/82/41/86/553824186.db2.gz IQDHCAPYNCGXDT-UHFFFAOYSA-N 0 0 528.396 3.920 50 0 KHAARN COc1cccc(NC(=O)CSc2nnc3n2c2sc4c(c2c(=O)n3-c2ccccc2)CCN(C)C4)c1 ZINC000097954799 553825357 /nfs/dbraw/zinc/82/53/57/553825357.db2.gz OGUGKBZYOIFLFM-UHFFFAOYSA-N 0 0 532.651 3.822 50 0 KHAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000097955522 553830967 /nfs/dbraw/zinc/83/09/67/553830967.db2.gz CIKZDMFHNRQNSB-BYUVYSIJSA-N 0 0 535.670 3.606 50 0 KHAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000097955523 553830922 /nfs/dbraw/zinc/83/09/22/553830922.db2.gz CIKZDMFHNRQNSB-JHUUHBRDSA-N 0 0 535.670 3.606 50 0 KHAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000097955526 553830996 /nfs/dbraw/zinc/83/09/96/553830996.db2.gz RVKSTXYTQJJDEV-BQYDLMEBSA-N 0 0 527.574 3.738 50 0 KHAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000097955527 553830960 /nfs/dbraw/zinc/83/09/60/553830960.db2.gz RVKSTXYTQJJDEV-WAEYIKQSSA-N 0 0 527.574 3.738 50 0 KHAARN O=C(/C=C/c1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000097955967 553835253 /nfs/dbraw/zinc/83/52/53/553835253.db2.gz FTATXHSMFFOYFY-ZRDIBKRKSA-N 0 0 545.636 3.801 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2cccc(Cn3ccs/c3=N\C(=O)c3ccc(OC)c(OC)c3)c2)CC1 ZINC000097956135 553836295 /nfs/dbraw/zinc/83/62/95/553836295.db2.gz XWAWZEKOGMHCNR-ZIADKAODSA-N 0 0 537.638 3.772 50 0 KHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3F)C2=O)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000097956154 553836310 /nfs/dbraw/zinc/83/63/10/553836310.db2.gz TUBZLOHHWXYYNJ-PZLPMSIKSA-N 0 0 541.576 3.665 50 0 KHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3F)C2=O)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000097956155 553836316 /nfs/dbraw/zinc/83/63/16/553836316.db2.gz TUBZLOHHWXYYNJ-IQDKPADRSA-N 0 0 541.576 3.665 50 0 KHAARN COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)/C=C/c3ccccc3)ccc2N2CCC(C(N)=O)CC2)cc1OC ZINC000097956302 553837689 /nfs/dbraw/zinc/83/76/89/553837689.db2.gz WXYNDFIVDBNWRX-UKTHLTGXSA-N 0 0 592.718 3.578 50 0 KHAARN CC(C)NC(=O)CN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000097956316 553837623 /nfs/dbraw/zinc/83/76/23/553837623.db2.gz HCXYYXWELYQXHS-HAHDFKILSA-N 0 0 541.073 3.859 50 0 KHAARN O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1)N1CCN(CCN2CCOCC2)CC1 ZINC000097956326 553837738 /nfs/dbraw/zinc/83/77/38/553837738.db2.gz CGEJOWJMBACBPF-PLRJNAJWSA-N 0 0 555.100 3.667 50 0 KHAARN CC(C)NC(=O)CN1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000097956372 553838335 /nfs/dbraw/zinc/83/83/35/553838335.db2.gz VDBVFRHZIHROCZ-HAHDFKILSA-N 0 0 541.073 3.859 50 0 KHAARN CC(C)NC(=O)CN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2)CC1 ZINC000097956384 553838387 /nfs/dbraw/zinc/83/83/87/553838387.db2.gz KTUWIOOBSGJMRI-HAHDFKILSA-N 0 0 541.073 3.859 50 0 KHAARN CCN1CCN(C(=O)c2ccc(Cn3c4ccccc4s/c3=N\C(=O)c3ccc(OC)c(OC)c3)o2)CC1 ZINC000097956414 553838765 /nfs/dbraw/zinc/83/87/65/553838765.db2.gz CYUISHFBAXKWKX-ZIADKAODSA-N 0 0 534.638 3.880 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2ccc(Cn3ccs/c3=N\C(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000097956462 553839053 /nfs/dbraw/zinc/83/90/53/553839053.db2.gz BTGXSDFWWBYWHK-ZIADKAODSA-N 0 0 537.638 3.772 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3nn4c(CSC)nnc4c4ccccc43)ccc2C)CC1 ZINC000097956680 553840827 /nfs/dbraw/zinc/84/08/27/553840827.db2.gz NTPCJBXAGUINCT-UHFFFAOYSA-N 0 0 540.671 3.579 50 0 KHAARN Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)c2c3c(c(=O)oc2c1)CCC3 ZINC000097957186 553845206 /nfs/dbraw/zinc/84/52/06/553845206.db2.gz AVFCFGOPDSZAGC-REWPJTCUSA-N 0 0 539.028 3.645 50 0 KHAARN Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC[C@@H]2CCCO2)c2c3c(c(=O)oc2c1)CCC3 ZINC000097957187 553845186 /nfs/dbraw/zinc/84/51/86/553845186.db2.gz AVFCFGOPDSZAGC-NZQKXSOJSA-N 0 0 539.028 3.645 50 0 KHAARN Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC[C@H]2CCCO2)c2c3c(c(=O)oc2c1)CCC3 ZINC000097957188 553845153 /nfs/dbraw/zinc/84/51/53/553845153.db2.gz AVFCFGOPDSZAGC-OFNKIYASSA-N 0 0 539.028 3.645 50 0 KHAARN Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NC[C@H]2CCCO2)c2c3c(c(=O)oc2c1)CCC3 ZINC000097957189 553845188 /nfs/dbraw/zinc/84/51/88/553845188.db2.gz AVFCFGOPDSZAGC-NFBKMPQASA-N 0 0 539.028 3.645 50 0 KHAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)n2-c2ccccc2)s1 ZINC000097957482 553845999 /nfs/dbraw/zinc/84/59/99/553845999.db2.gz IPONQPMNUPYAAF-UHFFFAOYSA-N 0 0 530.035 3.507 50 0 KHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2Cl)cc1 ZINC000097957486 553846033 /nfs/dbraw/zinc/84/60/33/553846033.db2.gz SWRUPKOFJVIIFQ-UHFFFAOYSA-N 0 0 530.035 3.750 50 0 KHAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)c1OC ZINC000097957495 553846341 /nfs/dbraw/zinc/84/63/41/553846341.db2.gz ZOJXDIRFDLLPEJ-NRFANRHFSA-N 0 0 651.752 3.717 50 0 KHAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)c1OC ZINC000097957496 553846400 /nfs/dbraw/zinc/84/64/00/553846400.db2.gz ZOJXDIRFDLLPEJ-OAQYLSRUSA-N 0 0 651.752 3.717 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097957631 553847039 /nfs/dbraw/zinc/84/70/39/553847039.db2.gz KDULMDNOZVLALH-ZMIGGIFCSA-N 0 0 579.030 3.890 50 0 KHAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097957632 553846974 /nfs/dbraw/zinc/84/69/74/553846974.db2.gz KDULMDNOZVLALH-OWXSRONMSA-N 0 0 579.030 3.890 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4)c(=O)n32)ccc1OC(C)=O ZINC000097957677 553847476 /nfs/dbraw/zinc/84/74/76/553847476.db2.gz KMRIJMKGZMGUGA-LXYLXTGBSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4)c(=O)n32)ccc1OC(C)=O ZINC000097957678 553847425 /nfs/dbraw/zinc/84/74/25/553847425.db2.gz KMRIJMKGZMGUGA-XGLZOBASSA-N 0 0 564.660 3.767 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000097958145 553851759 /nfs/dbraw/zinc/85/17/59/553851759.db2.gz URBZTQYACUTTJK-ARLGEPFESA-N 0 0 629.529 3.900 50 0 KHAARN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1Br ZINC000097958146 553851756 /nfs/dbraw/zinc/85/17/56/553851756.db2.gz URBZTQYACUTTJK-SCRHHBKZSA-N 0 0 629.529 3.900 50 0 KHAARN Nc1nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c(=O)c1NC(=O)c1ccc(Br)cc1 ZINC000097958205 553852044 /nfs/dbraw/zinc/85/20/44/553852044.db2.gz SUFNAVYKLJSNGR-UHFFFAOYSA-N 0 0 553.236 3.860 50 0 KHAARN CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097958225 553852437 /nfs/dbraw/zinc/85/24/37/553852437.db2.gz SUKAHWHXQMIJQY-UHFFFAOYSA-N 0 0 570.624 3.800 50 0 KHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097958229 553852457 /nfs/dbraw/zinc/85/24/57/553852457.db2.gz IJOASPPLJWTKIZ-UHFFFAOYSA-N 0 0 561.041 3.780 50 0 KHAARN CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097958233 553852449 /nfs/dbraw/zinc/85/24/49/553852449.db2.gz IOHNVUYLSKNWBP-UHFFFAOYSA-N 0 0 603.078 3.551 50 0 KHAARN COc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000097958272 553852653 /nfs/dbraw/zinc/85/26/53/553852653.db2.gz NCTAXVOPMXHKSV-UHFFFAOYSA-N 0 0 530.031 3.975 50 0 KHAARN CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccc(OC)cc2)cc1 ZINC000097958310 553853088 /nfs/dbraw/zinc/85/30/88/553853088.db2.gz UXLRDWOCFRJASL-UHFFFAOYSA-N 0 0 539.639 3.720 50 0 KHAARN COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000097958439 553854485 /nfs/dbraw/zinc/85/44/85/553854485.db2.gz FNNPEVVFWKOXGW-UHFFFAOYSA-N 0 0 539.639 3.542 50 0 KHAARN CCOc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000097958447 553854742 /nfs/dbraw/zinc/85/47/42/553854742.db2.gz PRAUVYBHRVLRCY-UHFFFAOYSA-N 0 0 553.666 3.932 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000097958553 553855923 /nfs/dbraw/zinc/85/59/23/553855923.db2.gz QBXFFUKWNVBZIL-RYOBIWAXSA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000097958554 553855874 /nfs/dbraw/zinc/85/58/74/553855874.db2.gz QBXFFUKWNVBZIL-IAOUMNOZSA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OS(=O)(=O)c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097958725 553857106 /nfs/dbraw/zinc/85/71/06/553857106.db2.gz CJVFUBDWGXPUHQ-RYOBIWAXSA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OS(=O)(=O)c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097958726 553857127 /nfs/dbraw/zinc/85/71/27/553857127.db2.gz CJVFUBDWGXPUHQ-IAOUMNOZSA-N 0 0 620.705 3.583 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000097958901 553858729 /nfs/dbraw/zinc/85/87/29/553858729.db2.gz GIOBGHIXIWNVOL-AURWXAICSA-N 0 0 671.772 3.996 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000097958902 553858748 /nfs/dbraw/zinc/85/87/48/553858748.db2.gz GIOBGHIXIWNVOL-LUOGPBCWSA-N 0 0 671.772 3.996 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097959020 553859708 /nfs/dbraw/zinc/85/97/08/553859708.db2.gz IUIKYRQBZMGGGO-NULZLWRNSA-N 0 0 634.732 3.892 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097959021 553859697 /nfs/dbraw/zinc/85/96/97/553859697.db2.gz IUIKYRQBZMGGGO-HRIDGTDGSA-N 0 0 634.732 3.892 50 0 KHAARN COc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)n2C)cc(OC)c1OC ZINC000097959318 553862696 /nfs/dbraw/zinc/86/26/96/553862696.db2.gz BFYURNLKKFZMRE-GFCCVEGCSA-N 0 0 531.660 3.524 50 0 KHAARN COc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)n2C)cc(OC)c1OC ZINC000097959319 553862634 /nfs/dbraw/zinc/86/26/34/553862634.db2.gz BFYURNLKKFZMRE-LBPRGKRZSA-N 0 0 531.660 3.524 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097959482 553864242 /nfs/dbraw/zinc/86/42/42/553864242.db2.gz VGWYLIJOVYRDMU-LWUPDDLQSA-N 0 0 579.078 3.963 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(Cl)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097959483 553864222 /nfs/dbraw/zinc/86/42/22/553864222.db2.gz VGWYLIJOVYRDMU-GJFKPFFXSA-N 0 0 579.078 3.963 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000097959511 553864244 /nfs/dbraw/zinc/86/42/44/553864244.db2.gz DIJNAVWHOMFPRO-VVOOWDFBSA-N 0 0 543.041 3.786 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000097959512 553864258 /nfs/dbraw/zinc/86/42/58/553864258.db2.gz DIJNAVWHOMFPRO-JUTHHCEFSA-N 0 0 543.041 3.786 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n21 ZINC000097959546 553864572 /nfs/dbraw/zinc/86/45/72/553864572.db2.gz XIUNKPXRIZDHFV-VJUHFWBYSA-N 0 0 597.693 3.589 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n21 ZINC000097959547 553864609 /nfs/dbraw/zinc/86/46/09/553864609.db2.gz XIUNKPXRIZDHFV-GELNIQQISA-N 0 0 597.693 3.589 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000097959555 553864530 /nfs/dbraw/zinc/86/45/30/553864530.db2.gz SMVLILKCXNRRME-LJJBLSSYSA-N 0 0 634.492 3.906 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000097959556 553864547 /nfs/dbraw/zinc/86/45/47/553864547.db2.gz SMVLILKCXNRRME-CVGPFBNFSA-N 0 0 634.492 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000097959569 553864591 /nfs/dbraw/zinc/86/45/91/553864591.db2.gz FYKZBYNLLINCRG-RWTNITNYSA-N 0 0 617.518 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000097959570 553864506 /nfs/dbraw/zinc/86/45/06/553864506.db2.gz FYKZBYNLLINCRG-MFUBYVTQSA-N 0 0 617.518 3.985 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OCC)c(OC)c3)c(=O)n21 ZINC000097959586 553864855 /nfs/dbraw/zinc/86/48/55/553864855.db2.gz KKUJVUBPSQNPSO-ZPVURNRZSA-N 0 0 594.686 3.538 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OCC)c(OC)c3)c(=O)n21 ZINC000097959587 553864783 /nfs/dbraw/zinc/86/47/83/553864783.db2.gz KKUJVUBPSQNPSO-FBRKSOCZSA-N 0 0 594.686 3.538 50 0 KHAARN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097959590 553864799 /nfs/dbraw/zinc/86/47/99/553864799.db2.gz MGEZGEJFLUYTEJ-PBMMVTTKSA-N 0 0 536.650 3.994 50 0 KHAARN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000097959591 553864826 /nfs/dbraw/zinc/86/48/26/553864826.db2.gz MGEZGEJFLUYTEJ-IVNHJSRESA-N 0 0 536.650 3.994 50 0 KHAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC)cc(OC)cc4OC)c(=O)n32)cc1 ZINC000097959622 553864796 /nfs/dbraw/zinc/86/47/96/553864796.db2.gz FJSZJRQHBXIPGI-ASZNLBCTSA-N 0 0 571.655 3.908 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4c(OC)cc(OC)cc4OC)c(=O)n32)cc1 ZINC000097959623 553864841 /nfs/dbraw/zinc/86/48/41/553864841.db2.gz FJSZJRQHBXIPGI-YNMQQHPQSA-N 0 0 571.655 3.908 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000097959625 553864816 /nfs/dbraw/zinc/86/48/16/553864816.db2.gz AJUNSNUJRVUYDF-XQJRBFNUSA-N 0 0 531.403 3.709 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000097959626 553864866 /nfs/dbraw/zinc/86/48/66/553864866.db2.gz AJUNSNUJRVUYDF-RZXXJPOTSA-N 0 0 531.403 3.709 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=C4C(=O)Nc5ccc(Br)cc54)c(=O)n32)cc1 ZINC000097959667 553865149 /nfs/dbraw/zinc/86/51/49/553865149.db2.gz FZEHPHQJZFSBPM-AGGMBTAESA-N 0 0 568.449 3.930 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=C4C(=O)Nc5ccc(Br)cc54)c(=O)n32)cc1 ZINC000097959668 553865451 /nfs/dbraw/zinc/86/54/51/553865451.db2.gz FZEHPHQJZFSBPM-SADKCHQCSA-N 0 0 568.449 3.930 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000097959689 553865481 /nfs/dbraw/zinc/86/54/81/553865481.db2.gz IDKFTORTYNZUHM-DILWRCETSA-N 0 0 539.038 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000097959690 553865475 /nfs/dbraw/zinc/86/54/75/553865475.db2.gz IDKFTORTYNZUHM-DOIQENQNSA-N 0 0 539.038 3.986 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(I)c1OC ZINC000097959737 553865791 /nfs/dbraw/zinc/86/57/91/553865791.db2.gz SPNSQZBAHDJUGT-MHWRWJLKSA-N 0 0 524.336 3.983 50 0 KHAARN CCCCN1c2ccc(Br)cc2/C(=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)C1=O ZINC000097959809 553866050 /nfs/dbraw/zinc/86/60/50/553866050.db2.gz YNEXDNPPDSJBNS-VXPUYCOJSA-N 0 0 541.427 3.662 50 0 KHAARN NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)CC1 ZINC000097960024 553867717 /nfs/dbraw/zinc/86/77/17/553867717.db2.gz HYPZJVXDINNOFM-UHFFFAOYSA-N 0 0 536.123 3.552 50 0 KHAARN CC(=O)Oc1c(I)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1I ZINC000097960161 553868582 /nfs/dbraw/zinc/86/85/82/553868582.db2.gz XBALERTTZOHLNJ-OVCLIPMQSA-N 0 0 588.164 3.591 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)cc1 ZINC000097961154 553875723 /nfs/dbraw/zinc/87/57/23/553875723.db2.gz OOWQXLVGQATQNH-UHFFFAOYSA-N 0 0 535.622 3.533 50 0 KHAARN O=C(OCCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097961162 553875786 /nfs/dbraw/zinc/87/57/86/553875786.db2.gz LGYOHTRZWPQZAY-UHFFFAOYSA-N 0 0 591.686 3.694 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 ZINC000097961183 553875768 /nfs/dbraw/zinc/87/57/68/553875768.db2.gz KJYWBVLZYOWLSU-UHFFFAOYSA-N 0 0 528.450 3.595 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 ZINC000097961184 553875721 /nfs/dbraw/zinc/87/57/21/553875721.db2.gz BKILYFIFYQOSGC-UHFFFAOYSA-N 0 0 601.488 3.951 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(CCOC)CCOC)cc4)cccc23)cc1 ZINC000097961188 553875996 /nfs/dbraw/zinc/87/59/96/553875996.db2.gz ZXCBFLCXJDBDEM-UHFFFAOYSA-N 0 0 756.900 3.911 50 0 KHAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000097961214 553876032 /nfs/dbraw/zinc/87/60/32/553876032.db2.gz FFPWLYGYRJUROC-UHFFFAOYSA-N 0 0 574.637 3.810 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000097961254 553876311 /nfs/dbraw/zinc/87/63/11/553876311.db2.gz IWBCFSNJMBBWFM-UHFFFAOYSA-N 0 0 555.476 3.503 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000097961314 553876888 /nfs/dbraw/zinc/87/68/88/553876888.db2.gz VHKGYBWGZXEINX-UHFFFAOYSA-N 0 0 532.600 3.724 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1 ZINC000097961316 553876912 /nfs/dbraw/zinc/87/69/12/553876912.db2.gz MEHKHFNJHXDAEB-UHFFFAOYSA-N 0 0 589.721 3.873 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000097961319 553876875 /nfs/dbraw/zinc/87/68/75/553876875.db2.gz BMPPYKRJHUTLCC-UHFFFAOYSA-N 0 0 535.673 3.560 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1 ZINC000097961320 553876905 /nfs/dbraw/zinc/87/69/05/553876905.db2.gz BHMSIRDGXYEMNI-UHFFFAOYSA-N 0 0 547.684 3.704 50 0 KHAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1C ZINC000097961325 553876907 /nfs/dbraw/zinc/87/69/07/553876907.db2.gz FYCCTTKDDDDSAQ-UHFFFAOYSA-N 0 0 531.685 3.923 50 0 KHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1 ZINC000097961328 553877165 /nfs/dbraw/zinc/87/71/65/553877165.db2.gz AFDUXUFXYISJTC-UHFFFAOYSA-N 0 0 531.685 3.923 50 0 KHAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c(C)c1 ZINC000097961331 553877172 /nfs/dbraw/zinc/87/71/72/553877172.db2.gz LEONWNLJEFDHPD-UHFFFAOYSA-N 0 0 531.685 3.923 50 0 KHAARN Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1 ZINC000097961333 553877222 /nfs/dbraw/zinc/87/72/22/553877222.db2.gz QYUMDMOTBYCFSQ-UHFFFAOYSA-N 0 0 531.685 3.923 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc1 ZINC000097961338 553877163 /nfs/dbraw/zinc/87/71/63/553877163.db2.gz LBRGJGNEKOSREM-UHFFFAOYSA-N 0 0 545.590 3.790 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1ccc(F)cc1 ZINC000097961342 553877196 /nfs/dbraw/zinc/87/71/96/553877196.db2.gz PINCDLGKBMAISP-UHFFFAOYSA-N 0 0 535.648 3.835 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1 ZINC000097961344 553877219 /nfs/dbraw/zinc/87/72/19/553877219.db2.gz JTRJVTCMWLELFB-UHFFFAOYSA-N 0 0 523.637 3.691 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)Nc1ccccc1F ZINC000097961345 553877159 /nfs/dbraw/zinc/87/71/59/553877159.db2.gz CVETUESMUURQCY-UHFFFAOYSA-N 0 0 535.648 3.835 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)N1CCCc2ccccc21 ZINC000097961367 553877436 /nfs/dbraw/zinc/87/74/36/553877436.db2.gz ADOIABXGXCJSDX-UHFFFAOYSA-N 0 0 543.696 3.646 50 0 KHAARN CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)cc(OCC)c1OCC ZINC000097961379 553877390 /nfs/dbraw/zinc/87/73/90/553877390.db2.gz MLRNEJVIRNKNLX-UHFFFAOYSA-N 0 0 524.650 3.877 50 0 KHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)cc4)CC3)cc2)C1 ZINC000097961414 553877729 /nfs/dbraw/zinc/87/77/29/553877729.db2.gz AIGMKYHCYZZZFN-POYMRFPPSA-N 0 0 644.860 3.618 50 0 KHAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(S(=O)(=O)N5C[C@@H](C)C[C@H](C)C5)cc4)CC3)cc2)C1 ZINC000097961415 553877701 /nfs/dbraw/zinc/87/77/01/553877701.db2.gz AIGMKYHCYZZZFN-ASDGIDEWSA-N 0 0 644.860 3.618 50 0 KHAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(S(=O)(=O)N5C[C@H](C)C[C@H](C)C5)cc4)CC3)cc2)C1 ZINC000097961416 553877726 /nfs/dbraw/zinc/87/77/26/553877726.db2.gz AIGMKYHCYZZZFN-POTDNYQPSA-N 0 0 644.860 3.618 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(S(=O)(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4)c3)cc2)C[C@H](C)O1 ZINC000097961492 553878439 /nfs/dbraw/zinc/87/84/39/553878439.db2.gz PBKNZHVMPIRWFE-WAPCQROESA-N 0 0 670.810 3.787 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(S(=O)(=O)N5C[C@H](C)O[C@@H](C)C5)cc4)c3)cc2)C[C@H](C)O1 ZINC000097961493 553878433 /nfs/dbraw/zinc/87/84/33/553878433.db2.gz PBKNZHVMPIRWFE-NEWJYFPISA-N 0 0 670.810 3.787 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc(S(=O)(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4)c3)cc2)C[C@@H](C)O1 ZINC000097961494 553878402 /nfs/dbraw/zinc/87/84/02/553878402.db2.gz PBKNZHVMPIRWFE-YCAMKHIRSA-N 0 0 670.810 3.787 50 0 KHAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2-c2c(OC)cccc2OC)s1 ZINC000097961613 553879487 /nfs/dbraw/zinc/87/94/87/553879487.db2.gz VBGFSJOURMTFAT-UHFFFAOYSA-N 0 0 585.737 3.838 50 0 KHAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)n2-c2ccccc2OC)s1 ZINC000097961647 553879746 /nfs/dbraw/zinc/87/97/46/553879746.db2.gz ISTVYWAYLQLIMX-UHFFFAOYSA-N 0 0 676.872 3.931 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccccc1)Nc1nccs1 ZINC000097961649 553879835 /nfs/dbraw/zinc/87/98/35/553879835.db2.gz UQXJHDIBUPNWKU-UHFFFAOYSA-N 0 0 597.748 3.559 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccc(Br)cc1)Nc1nccs1 ZINC000097961663 553879832 /nfs/dbraw/zinc/87/98/32/553879832.db2.gz GPQRTVDNDGDSPI-UHFFFAOYSA-N 0 0 519.406 3.740 50 0 KHAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc(F)cc2)s1 ZINC000097961665 553879772 /nfs/dbraw/zinc/87/97/72/553879772.db2.gz XVMSAKRWKLALLH-UHFFFAOYSA-N 0 0 519.609 3.624 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1)Nc1nc2ccccc2s1 ZINC000097961691 553880021 /nfs/dbraw/zinc/88/00/21/553880021.db2.gz WGLCKZSYBXWKOG-UHFFFAOYSA-N 0 0 524.609 3.784 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc(Br)c1OC ZINC000097961844 553881210 /nfs/dbraw/zinc/88/12/10/553881210.db2.gz QPOPVXKCVDRMAB-FNGUVFISSA-N 0 0 543.439 3.578 50 0 KHAARN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc(Br)c1OC ZINC000097961846 553881169 /nfs/dbraw/zinc/88/11/69/553881169.db2.gz QPOPVXKCVDRMAB-CNSVBDKNSA-N 0 0 543.439 3.578 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962747 553885393 /nfs/dbraw/zinc/88/53/93/553885393.db2.gz YFPNNNAHDJEMQN-IOKRJLGCSA-N 0 0 547.416 3.649 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962748 553885435 /nfs/dbraw/zinc/88/54/35/553885435.db2.gz YFPNNNAHDJEMQN-BJJGPXNVSA-N 0 0 547.416 3.649 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(C)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962749 553885396 /nfs/dbraw/zinc/88/53/96/553885396.db2.gz MMOTVZLWHDGHET-AJASBIQKSA-N 0 0 623.687 3.568 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(C)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962750 553885416 /nfs/dbraw/zinc/88/54/16/553885416.db2.gz MMOTVZLWHDGHET-PBAWISNSSA-N 0 0 623.687 3.568 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962756 553885428 /nfs/dbraw/zinc/88/54/28/553885428.db2.gz KIILUPQAHLQZDF-PBAWISNSSA-N 0 0 623.687 3.649 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962757 553885437 /nfs/dbraw/zinc/88/54/37/553885437.db2.gz KIILUPQAHLQZDF-AJASBIQKSA-N 0 0 623.687 3.649 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962758 553885399 /nfs/dbraw/zinc/88/53/99/553885399.db2.gz HCAFFKXWUDUWRS-PBAWISNSSA-N 0 0 641.677 3.788 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(F)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962759 553885402 /nfs/dbraw/zinc/88/54/02/553885402.db2.gz HCAFFKXWUDUWRS-AJASBIQKSA-N 0 0 641.677 3.788 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(C)cc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962760 553885426 /nfs/dbraw/zinc/88/54/26/553885426.db2.gz BZITWYLPLGOYCN-HNWSYWITSA-N 0 0 637.714 3.958 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccc(C)cc4)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000097962761 553885411 /nfs/dbraw/zinc/88/54/11/553885411.db2.gz BZITWYLPLGOYCN-QPNXRCJGSA-N 0 0 637.714 3.958 50 0 KHAARN COc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000097962913 553886098 /nfs/dbraw/zinc/88/60/98/553886098.db2.gz CHDIOQBWDUAGDI-DHDCSXOGSA-N 0 0 530.365 3.515 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000097963015 553886104 /nfs/dbraw/zinc/88/61/04/553886104.db2.gz STDWNXBKNSABNO-HSPFKPFCSA-N 0 0 543.645 3.993 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000097963016 553886100 /nfs/dbraw/zinc/88/61/00/553886100.db2.gz STDWNXBKNSABNO-IQYNPEPDSA-N 0 0 543.645 3.993 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000097963142 553886892 /nfs/dbraw/zinc/88/68/92/553886892.db2.gz QTTPNFRQBRNYBP-IBGZPJMESA-N 0 0 536.639 3.878 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)cc1 ZINC000097963143 553886900 /nfs/dbraw/zinc/88/69/00/553886900.db2.gz QTTPNFRQBRNYBP-LJQANCHMSA-N 0 0 536.639 3.878 50 0 KHAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(OC)cc2)cc1 ZINC000097963315 553888672 /nfs/dbraw/zinc/88/86/72/553888672.db2.gz GBANPOPLEQLEGM-UHFFFAOYSA-N 0 0 529.622 3.896 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 ZINC000097963316 553888623 /nfs/dbraw/zinc/88/86/23/553888623.db2.gz ZSUMTTUUSSDSSU-UHFFFAOYSA-N 0 0 533.610 3.954 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CCN(C(C)C)C2 ZINC000097963420 553889756 /nfs/dbraw/zinc/88/97/56/553889756.db2.gz UTELMMIQAVYYCK-QZTJIDSGSA-N 0 0 549.715 3.742 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CCN(C(C)C)C2 ZINC000097963421 553890271 /nfs/dbraw/zinc/89/02/71/553890271.db2.gz UTELMMIQAVYYCK-ROUUACIJSA-N 0 0 549.715 3.742 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(Cc3ccccc3)C4)cc2)CC1 ZINC000097963449 553890213 /nfs/dbraw/zinc/89/02/13/553890213.db2.gz DCFBOVLFCMTCLC-UHFFFAOYSA-N 0 0 626.757 3.808 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963463 553890657 /nfs/dbraw/zinc/89/06/57/553890657.db2.gz RJYBSYQGOJOTLZ-UHFFFAOYSA-N 0 0 569.705 3.756 50 0 KHAARN NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000097963478 553890621 /nfs/dbraw/zinc/89/06/21/553890621.db2.gz QMEBQBJTRYSGSH-UHFFFAOYSA-N 0 0 538.695 3.832 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(C)=O)C3)cc1 ZINC000097963503 553891086 /nfs/dbraw/zinc/89/10/86/553891086.db2.gz LRPBSMKBYIEKBP-UHFFFAOYSA-N 0 0 535.688 3.892 50 0 KHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(C)=O)C3)cc1 ZINC000097963506 553891082 /nfs/dbraw/zinc/89/10/82/553891082.db2.gz PGIXLUQRXWACAP-UHFFFAOYSA-N 0 0 535.688 3.892 50 0 KHAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)cc1 ZINC000097963514 553891468 /nfs/dbraw/zinc/89/14/68/553891468.db2.gz FJVNZVRSNZJPTI-UHFFFAOYSA-N 0 0 537.660 3.722 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(=O)OC)C1 ZINC000097963519 553891485 /nfs/dbraw/zinc/89/14/85/553891485.db2.gz WJATZPRVLQPHOQ-INIZCTEOSA-N 0 0 549.671 3.865 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(=O)OC)C1 ZINC000097963520 553891473 /nfs/dbraw/zinc/89/14/73/553891473.db2.gz WJATZPRVLQPHOQ-MRXNPFEDSA-N 0 0 549.671 3.865 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000097963521 553891326 /nfs/dbraw/zinc/89/13/26/553891326.db2.gz KZQUSJKKWYFUFH-INIZCTEOSA-N 0 0 549.671 3.722 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000097963522 553891358 /nfs/dbraw/zinc/89/13/58/553891358.db2.gz KZQUSJKKWYFUFH-MRXNPFEDSA-N 0 0 549.671 3.722 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OC)C1 ZINC000097963523 553891333 /nfs/dbraw/zinc/89/13/33/553891333.db2.gz QBJGHMJLFZBAGV-UHFFFAOYSA-N 0 0 549.671 3.722 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000097963524 553891309 /nfs/dbraw/zinc/89/13/09/553891309.db2.gz OIAKEOHEMPLFIC-CALCHBBNSA-N 0 0 563.698 3.968 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000097963525 553891319 /nfs/dbraw/zinc/89/13/19/553891319.db2.gz OIAKEOHEMPLFIC-IRXDYDNUSA-N 0 0 563.698 3.968 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000097963526 553891345 /nfs/dbraw/zinc/89/13/45/553891345.db2.gz OIAKEOHEMPLFIC-IAGOWNOFSA-N 0 0 563.698 3.968 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)OC)C1 ZINC000097963533 553891402 /nfs/dbraw/zinc/89/14/02/553891402.db2.gz YSNRKGVDLWOSER-UHFFFAOYSA-N 0 0 549.671 3.866 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963534 553891384 /nfs/dbraw/zinc/89/13/84/553891384.db2.gz JGKMPSLUBQHXCU-UHFFFAOYSA-N 0 0 537.660 3.722 50 0 KHAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCN(C(=O)OCC)C2 ZINC000097963542 553891398 /nfs/dbraw/zinc/89/13/98/553891398.db2.gz IYGOABYAWPVSNC-UHFFFAOYSA-N 0 0 549.671 3.866 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2C(N)=O)C1 ZINC000097963563 553891730 /nfs/dbraw/zinc/89/17/30/553891730.db2.gz AWGIPESPSLGJHK-UHFFFAOYSA-N 0 0 548.687 3.567 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CSc2cn(CCNC(=O)c3c(F)cccc3F)c3ccccc23)CC1 ZINC000097963790 553894281 /nfs/dbraw/zinc/89/42/81/553894281.db2.gz TZQMEEBFUAXRGZ-UHFFFAOYSA-N 0 0 530.597 3.742 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000097963806 553894266 /nfs/dbraw/zinc/89/42/66/553894266.db2.gz BWJJOGSHRHAAPB-UHFFFAOYSA-N 0 0 527.466 3.545 50 0 KHAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)o2)cc(OC)c1OC ZINC000097963811 553894233 /nfs/dbraw/zinc/89/42/33/553894233.db2.gz MZDYFNKSDSWHFL-UHFFFAOYSA-N 0 0 530.603 3.968 50 0 KHAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)o2)cc(OC)c1OC ZINC000097963812 553894265 /nfs/dbraw/zinc/89/42/65/553894265.db2.gz WZVSAEPNUFTCIY-IYBDPMFKSA-N 0 0 530.603 3.681 50 0 KHAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)o2)cc(OC)c1OC ZINC000097963813 553894209 /nfs/dbraw/zinc/89/42/09/553894209.db2.gz WZVSAEPNUFTCIY-HOTGVXAUSA-N 0 0 530.603 3.681 50 0 KHAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)o2)cc(OC)c1OC ZINC000097963814 553894276 /nfs/dbraw/zinc/89/42/76/553894276.db2.gz WZVSAEPNUFTCIY-HZPDHXFCSA-N 0 0 530.603 3.681 50 0 KHAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000097963821 553894510 /nfs/dbraw/zinc/89/45/10/553894510.db2.gz VRPPHROUSSAILC-GOSISDBHSA-N 0 0 530.603 3.968 50 0 KHAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000097963822 553894595 /nfs/dbraw/zinc/89/45/95/553894595.db2.gz VRPPHROUSSAILC-SFHVURJKSA-N 0 0 530.603 3.968 50 0 KHAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc(OCC)c1OCC ZINC000097963831 553894601 /nfs/dbraw/zinc/89/46/01/553894601.db2.gz SMMUNWYTIVQWMK-UHFFFAOYSA-N 0 0 530.603 3.970 50 0 KHAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963841 553894514 /nfs/dbraw/zinc/89/45/14/553894514.db2.gz OMLLLARVANVWGJ-HDICACEKSA-N 0 0 574.656 3.983 50 0 KHAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963842 553894526 /nfs/dbraw/zinc/89/45/26/553894526.db2.gz OMLLLARVANVWGJ-QZTJIDSGSA-N 0 0 574.656 3.983 50 0 KHAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)o2)cc(OCC)c1OCC ZINC000097963843 553894552 /nfs/dbraw/zinc/89/45/52/553894552.db2.gz OMLLLARVANVWGJ-ROUUACIJSA-N 0 0 574.656 3.983 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(OCC)c(OCC)c(OCC)c4)o3)cc2)CC1 ZINC000097963845 553894768 /nfs/dbraw/zinc/89/47/68/553894768.db2.gz BQSLKPKLJJBHHI-UHFFFAOYSA-N 0 0 617.681 3.648 50 0 KHAARN CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc(OCC)c1OCC ZINC000097963853 553894786 /nfs/dbraw/zinc/89/47/86/553894786.db2.gz LCNUMLAOTOKLKK-UHFFFAOYSA-N 0 0 560.629 3.942 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4CC)cc3)c2C(=O)NC)C1 ZINC000097963860 553894773 /nfs/dbraw/zinc/89/47/73/553894773.db2.gz KTEZMBLSWBUBLY-GOSISDBHSA-N 0 0 562.714 3.828 50 0 KHAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4CC)cc3)c2C(=O)NC)C1 ZINC000097963861 553894769 /nfs/dbraw/zinc/89/47/69/553894769.db2.gz KTEZMBLSWBUBLY-SFHVURJKSA-N 0 0 562.714 3.828 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000097965068 1066841965 /nfs/dbraw/zinc/84/19/65/1066841965.db2.gz SSKGFDIKJWTFEZ-UHFFFAOYSA-N 0 0 592.649 3.716 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1cc(OC)cc(OC)c1 ZINC000097965070 1066190224 /nfs/dbraw/zinc/19/02/24/1066190224.db2.gz SOZJBOMKPYVJPN-UHFFFAOYSA-N 0 0 562.623 3.708 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(=O)c1ccc(OC)c(OC)c1 ZINC000097965071 1066841950 /nfs/dbraw/zinc/84/19/50/1066841950.db2.gz FWSBLNVRPBOMRE-UHFFFAOYSA-N 0 0 562.623 3.708 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000097965324 1066841970 /nfs/dbraw/zinc/84/19/70/1066841970.db2.gz CAWCGFYDQWSBLS-SFHVURJKSA-N 0 0 540.498 3.765 50 0 KHAARN O=C(NCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000097965922 553906077 /nfs/dbraw/zinc/90/60/77/553906077.db2.gz UKZDILQBRQEGCV-HJVIKEODSA-N 0 0 646.656 3.618 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000097966111 553907064 /nfs/dbraw/zinc/90/70/64/553907064.db2.gz WLKIECJOWOPIDL-QEYQTOMISA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000097966112 553906984 /nfs/dbraw/zinc/90/69/84/553906984.db2.gz WLKIECJOWOPIDL-OXIKZWMZSA-N 0 0 542.613 3.658 50 0 KHAARN C[C@@H](CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000097966117 553906999 /nfs/dbraw/zinc/90/69/99/553906999.db2.gz BYQNXGIHUIYJQM-QHCPKHFHSA-N 0 0 656.733 3.677 50 0 KHAARN C[C@H](CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000097966118 553907067 /nfs/dbraw/zinc/90/70/67/553907067.db2.gz BYQNXGIHUIYJQM-HSZRJFAPSA-N 0 0 656.733 3.677 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966276 553907825 /nfs/dbraw/zinc/90/78/25/553907825.db2.gz HJXWHISNAPMYHZ-BYHQVZLYSA-N 0 0 732.334 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966277 553907791 /nfs/dbraw/zinc/90/77/91/553907791.db2.gz HJXWHISNAPMYHZ-LYFUXTGPSA-N 0 0 732.334 3.730 50 0 KHAARN O=C(NCCCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000097966375 553908376 /nfs/dbraw/zinc/90/83/76/553908376.db2.gz HAUUXSGNWAWFLS-DHQAUHHZSA-N 0 0 588.668 3.731 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966420 553908696 /nfs/dbraw/zinc/90/86/96/553908696.db2.gz WTNQPJMKUJPKEO-JAYSWQADSA-N 0 0 643.512 3.810 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966421 553908669 /nfs/dbraw/zinc/90/86/69/553908669.db2.gz WTNQPJMKUJPKEO-KEQCBNTKSA-N 0 0 643.512 3.810 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966489 553909274 /nfs/dbraw/zinc/90/92/74/553909274.db2.gz USGFZWBVVYKKIB-LYRGBEMXSA-N 0 0 585.476 3.885 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000097966490 553909325 /nfs/dbraw/zinc/90/93/25/553909325.db2.gz USGFZWBVVYKKIB-JGTYQCAFSA-N 0 0 585.476 3.885 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000097968495 553932897 /nfs/dbraw/zinc/93/28/97/553932897.db2.gz SKBYFNOLLVETRR-AYWGPLOBSA-N 0 0 536.053 3.969 50 0 KHAARN CCCCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000097968496 553932920 /nfs/dbraw/zinc/93/29/20/553932920.db2.gz SKBYFNOLLVETRR-ZHHPLPSFSA-N 0 0 536.053 3.969 50 0 KHAARN COc1c(I)cc(I)cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000097968553 553933138 /nfs/dbraw/zinc/93/31/38/553933138.db2.gz OEUDRJQZPBNOCN-VGOFMYFVSA-N 0 0 560.154 3.675 50 0 KHAARN CCOC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000097968574 553933456 /nfs/dbraw/zinc/93/34/56/553933456.db2.gz ZFXZKIZPNWHVCC-WYRUCBEGSA-N 0 0 652.766 3.532 50 0 KHAARN CCOC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000097968575 553933466 /nfs/dbraw/zinc/93/34/66/553933466.db2.gz ZFXZKIZPNWHVCC-APDQFWHYSA-N 0 0 652.766 3.532 50 0 KHAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000097969368 553940139 /nfs/dbraw/zinc/94/01/39/553940139.db2.gz OMPORDQMQOAUJB-UHFFFAOYSA-N 0 0 570.535 3.600 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097971053 553960653 /nfs/dbraw/zinc/96/06/53/553960653.db2.gz JDCHOLOMJOZNGV-ZGOFBEGVSA-N 0 0 618.664 3.871 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097971054 553960627 /nfs/dbraw/zinc/96/06/27/553960627.db2.gz JDCHOLOMJOZNGV-BIWBSIMWSA-N 0 0 618.664 3.871 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(N(C)C3=NS(=O)(=O)c4cccc(C)c43)cc2)cc1 ZINC000097971307 553962259 /nfs/dbraw/zinc/96/22/59/553962259.db2.gz ZPZHZNYVVXTRFZ-UHFFFAOYSA-N 0 0 541.651 3.830 50 0 KHAARN CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000097971869 553963547 /nfs/dbraw/zinc/96/35/47/553963547.db2.gz ZMUOZINPHNFUNU-JWLSVXHMSA-N 0 0 542.636 3.891 50 0 biogenic KHAARN CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 ZINC000097971870 553963551 /nfs/dbraw/zinc/96/35/51/553963551.db2.gz UXBBWVJPJWVYDY-WFUMWBPUSA-N 0 0 526.593 3.602 50 0 biogenic KHAARN CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cncc(Br)c2)c1 ZINC000097971871 553963616 /nfs/dbraw/zinc/96/36/16/553963616.db2.gz UQBFHHRIYVQTJW-APWZRJJASA-N 0 0 536.430 3.632 50 0 biogenic KHAARN CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1 ZINC000097972383 553966936 /nfs/dbraw/zinc/96/69/36/553966936.db2.gz VUCVSBZRQBGJPT-UHFFFAOYSA-N 0 0 615.403 3.940 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)ccc1Br ZINC000097976760 553972493 /nfs/dbraw/zinc/97/24/93/553972493.db2.gz YOMIJCSRDDICKS-UHFFFAOYSA-N 0 0 552.310 3.524 50 0 KHAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3O)cc2)cc1 ZINC000097976794 553972816 /nfs/dbraw/zinc/97/28/16/553972816.db2.gz DZSSCCSSLYHVGH-UHFFFAOYSA-N 0 0 529.640 3.928 50 0 KHAARN CCOc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)c(OCC)c3)CC2)ccc1Cl ZINC000097976795 553972842 /nfs/dbraw/zinc/97/28/42/553972842.db2.gz QJZYDRDOQSFMQX-UHFFFAOYSA-N 0 0 537.487 3.876 50 0 KHAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 ZINC000097976796 553972805 /nfs/dbraw/zinc/97/28/05/553972805.db2.gz LZWFIKUFCRYQDQ-UHFFFAOYSA-N 0 0 537.487 3.876 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)c(C)c3)[C@H](C)C2)ccc1Br ZINC000097976799 553972852 /nfs/dbraw/zinc/97/28/52/553972852.db2.gz DGPPHBOUNZKYNF-OAHLLOKOSA-N 0 0 566.337 3.912 50 0 KHAARN Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Br)c(C)c3)CC2)ccc1Br ZINC000097976800 553972838 /nfs/dbraw/zinc/97/28/38/553972838.db2.gz YGTZZBPEXHRNQL-UHFFFAOYSA-N 0 0 566.337 3.914 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2cccc(Br)c2)C(C)C)c1 ZINC000097976802 553972830 /nfs/dbraw/zinc/97/28/30/553972830.db2.gz UFEYVGLDDXRKHO-QFIPXVFZSA-N 0 0 553.475 3.660 50 0 KHAARN COc1ccc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4ccc5cc(OC)ccc5c4)CC3)ccc2c1 ZINC000097977092 553974076 /nfs/dbraw/zinc/97/40/76/553974076.db2.gz HLHDUFUGQUIRBJ-UHFFFAOYSA-N 0 0 526.636 3.705 50 0 KHAARN C[C@@H]1CN(C(=O)c2ccccc2I)CCN1C(=O)c1ccccc1I ZINC000097977094 553973996 /nfs/dbraw/zinc/97/39/96/553973996.db2.gz PGMBFJLZSMZGIF-CYBMUJFWSA-N 0 0 560.173 3.883 50 0 KHAARN C[C@H]1CN(C(=O)c2ccccc2I)CCN1C(=O)c1ccccc1I ZINC000097977095 553974003 /nfs/dbraw/zinc/97/40/03/553974003.db2.gz PGMBFJLZSMZGIF-ZDUSSCGKSA-N 0 0 560.173 3.883 50 0 KHAARN CCOc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OCC)c(C)cc3OCC)CC2)c(OCC)cc1C ZINC000097977099 553974073 /nfs/dbraw/zinc/97/40/73/553974073.db2.gz ZDLIVDVLYCVAJI-UHFFFAOYSA-N 0 0 584.757 3.984 50 0 KHAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)[C@H](C)C1 ZINC000097977100 553974000 /nfs/dbraw/zinc/97/40/00/553974000.db2.gz CEDRPBBAOWWZTP-OAHLLOKOSA-N 0 0 537.487 3.875 50 0 KHAARN CC(=O)Nc1ccc2nc(NC(=O)c3cc(Br)cc(S(C)(=O)=O)c3-n3ccnc3)sc2c1 ZINC000097977247 553975172 /nfs/dbraw/zinc/97/51/72/553975172.db2.gz QLRCDMVIJSKNGH-UHFFFAOYSA-N 0 0 534.417 3.859 50 0 KHAARN COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000097979133 553976730 /nfs/dbraw/zinc/97/67/30/553976730.db2.gz JDWRHTZPAXDVMT-PCJMVEANSA-N 0 0 554.115 3.841 50 0 KHAARN COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000097979134 553976657 /nfs/dbraw/zinc/97/66/57/553976657.db2.gz JDWRHTZPAXDVMT-KTZOAPACSA-N 0 0 554.115 3.841 50 0 KHAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000097979176 553976870 /nfs/dbraw/zinc/97/68/70/553976870.db2.gz OIPPGCJJWXTLLX-NDENLUEZSA-N 0 0 534.598 3.899 50 0 KHAARN CCCCCN(C(=O)COC(=O)C=Cc1c(C)nn(-c2ccc(F)cc2)c1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000097979236 553977516 /nfs/dbraw/zinc/97/75/16/553977516.db2.gz QKLFCZCCUMECGP-BUHFOSPRSA-N 0 0 589.068 3.985 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000097979259 553977533 /nfs/dbraw/zinc/97/75/33/553977533.db2.gz XKRMMINWOYXSMS-JFFNHNPXSA-N 0 0 579.631 3.874 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000097979260 553977468 /nfs/dbraw/zinc/97/74/68/553977468.db2.gz XKRMMINWOYXSMS-CPYSWSQESA-N 0 0 579.631 3.874 50 0 KHAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000097979277 553977837 /nfs/dbraw/zinc/97/78/37/553977837.db2.gz FEMFDHADXRYUPS-QPJJXVBHSA-N 0 0 532.924 3.575 50 0 KHAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc(OC)c1OC ZINC000097979311 553978047 /nfs/dbraw/zinc/97/80/47/553978047.db2.gz LRUWIJUDTKHZQB-JXMROGBWSA-N 0 0 553.033 3.736 50 0 KHAARN Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccccc2Cl)c(=O)n(C)c1=O ZINC000097979334 1066841899 /nfs/dbraw/zinc/84/18/99/1066841899.db2.gz MPKDZVDFGKERIB-SAPNQHFASA-N 0 0 544.995 3.784 50 0 KHAARN C[C@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097979407 553979061 /nfs/dbraw/zinc/97/90/61/553979061.db2.gz JXSZPVHOXNECIH-QFGIDJEJSA-N 0 0 532.665 3.942 50 0 KHAARN C[C@@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097979408 553979058 /nfs/dbraw/zinc/97/90/58/553979058.db2.gz JXSZPVHOXNECIH-GFXBCDTMSA-N 0 0 532.665 3.942 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 ZINC000097979410 553979099 /nfs/dbraw/zinc/97/90/99/553979099.db2.gz JSGNLIULDAOULK-XMHGGMMESA-N 0 0 548.664 3.562 50 0 KHAARN O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097979415 553979052 /nfs/dbraw/zinc/97/90/52/553979052.db2.gz HQJQLRQPWHCSOM-CJLVFECKSA-N 0 0 530.599 3.631 50 0 KHAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000097979444 553979488 /nfs/dbraw/zinc/97/94/88/553979488.db2.gz BCBBAMSCGUFKOM-MDRMPYQZSA-N 0 0 533.606 3.878 50 0 KHAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000097979445 553979476 /nfs/dbraw/zinc/97/94/76/553979476.db2.gz BCBBAMSCGUFKOM-OTOIZHKDSA-N 0 0 533.606 3.878 50 0 KHAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccs2)C1=O ZINC000097979465 553979774 /nfs/dbraw/zinc/97/97/74/553979774.db2.gz SLQODXZBDZGCKZ-ZJYVBTJHSA-N 0 0 541.589 3.656 50 0 KHAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccs2)C1=O ZINC000097979466 553979729 /nfs/dbraw/zinc/97/97/29/553979729.db2.gz SLQODXZBDZGCKZ-FCAYZRQCSA-N 0 0 541.589 3.656 50 0 KHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000097979469 553979758 /nfs/dbraw/zinc/97/97/58/553979758.db2.gz BQPNRZARKQNWSS-FYWRMAATSA-N 0 0 534.594 3.886 50 0 KHAARN COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(S(=O)(=O)N3CCc4ccccc43)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000097979532 553980281 /nfs/dbraw/zinc/98/02/81/553980281.db2.gz PWSSCKXTWXNCHO-SDNWHVSQSA-N 0 0 699.804 3.834 50 0 KHAARN COc1cc(/C=C/C(=O)OCC(=O)N(C)c2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000097979533 553980289 /nfs/dbraw/zinc/98/02/89/553980289.db2.gz DUBXCPADLFMGFK-BUHFOSPRSA-N 0 0 536.606 3.675 50 0 KHAARN COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097979541 553980255 /nfs/dbraw/zinc/98/02/55/553980255.db2.gz ALJOQUPVBMHCDU-XIEYBQDHSA-N 0 0 550.633 3.747 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000097979579 553980603 /nfs/dbraw/zinc/98/06/03/553980603.db2.gz YXBQCMLWMKVLSM-ICFXLVBESA-N 0 0 534.634 3.923 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc(OC)cc1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000097979580 553980606 /nfs/dbraw/zinc/98/06/06/553980606.db2.gz YXBQCMLWMKVLSM-UZLGTAQGSA-N 0 0 534.634 3.923 50 0 KHAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000097979630 553981151 /nfs/dbraw/zinc/98/11/51/553981151.db2.gz RVOYWDPZOUWLBV-ZHZULCJRSA-N 0 0 526.615 3.890 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C/c2ccc4c(c2)OCO4)CC3)cc1 ZINC000097979711 553981640 /nfs/dbraw/zinc/98/16/40/553981640.db2.gz QJOWPKYVSNNAEI-QGOAFFKASA-N 0 0 557.584 3.893 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1C ZINC000097979752 553982008 /nfs/dbraw/zinc/98/20/08/553982008.db2.gz VUUOTTDGGDGHCY-SDNWHVSQSA-N 0 0 536.606 3.999 50 0 KHAARN CCOc1ccc(N2C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)=NN/C2=C2/C=Nc3ccccc32)cc1 ZINC000097979767 553982009 /nfs/dbraw/zinc/98/20/09/553982009.db2.gz RTCWKOJWKYIWIX-YYDJUVGSSA-N 0 0 548.650 3.870 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000097979789 553982297 /nfs/dbraw/zinc/98/22/97/553982297.db2.gz RRRNBICCCUYZDH-UMSHPIDHSA-N 0 0 548.617 3.643 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000097979790 553982303 /nfs/dbraw/zinc/98/23/03/553982303.db2.gz RRRNBICCCUYZDH-ACSPXDACSA-N 0 0 548.617 3.643 50 0 KHAARN COc1cccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2Cl)c1 ZINC000097980018 553984473 /nfs/dbraw/zinc/98/44/73/553984473.db2.gz YKNOYDUKWUXUJP-VQHVLOKHSA-N 0 0 623.515 3.771 50 0 KHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000097980027 553984505 /nfs/dbraw/zinc/98/45/05/553984505.db2.gz CBEFEBMHPZEXRK-LQYUOIDQSA-N 0 0 556.062 3.515 50 0 KHAARN CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000097980028 553984560 /nfs/dbraw/zinc/98/45/60/553984560.db2.gz CBEFEBMHPZEXRK-LFAOLKIESA-N 0 0 556.062 3.515 50 0 KHAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000097980041 553984489 /nfs/dbraw/zinc/98/44/89/553984489.db2.gz VNXQARSFJPCPDR-TZZQJPOUSA-N 0 0 557.028 3.652 50 0 KHAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000097980042 553984492 /nfs/dbraw/zinc/98/44/92/553984492.db2.gz VNXQARSFJPCPDR-CVTTXWKISA-N 0 0 557.028 3.652 50 0 KHAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 ZINC000097980062 553984841 /nfs/dbraw/zinc/98/48/41/553984841.db2.gz UYYOZMHEURQGTG-ZRDIBKRKSA-N 0 0 534.637 3.725 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 ZINC000097980064 553984849 /nfs/dbraw/zinc/98/48/49/553984849.db2.gz UUCORJSBPNZCFV-BUHFOSPRSA-N 0 0 528.608 3.664 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000097980066 553984834 /nfs/dbraw/zinc/98/48/34/553984834.db2.gz QETXGEQWMJEUGO-ZOGILVBSSA-N 0 0 533.606 3.506 50 0 KHAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000097980067 553984893 /nfs/dbraw/zinc/98/48/93/553984893.db2.gz QETXGEQWMJEUGO-ZMNABIIRSA-N 0 0 533.606 3.506 50 0 KHAARN COC(=O)c1sc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)c(C(=O)OC)c1C ZINC000097980101 553985054 /nfs/dbraw/zinc/98/50/54/553985054.db2.gz SVAHBKCGARTPOD-OUKQBFOZSA-N 0 0 572.617 3.838 50 0 KHAARN COc1cc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000097980138 553985652 /nfs/dbraw/zinc/98/56/52/553985652.db2.gz VRFWWBHTJUGSJE-FMIVXFBMSA-N 0 0 682.821 3.728 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(OC)c(OC)c(S(=O)(=O)N3CCc4ccccc43)c2)c1 ZINC000097980141 553985559 /nfs/dbraw/zinc/98/55/59/553985559.db2.gz JVXWMNBJTQVJBC-SDNWHVSQSA-N 0 0 684.837 3.974 50 0 KHAARN NC(=O)N[C@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1cccc(Br)c1 ZINC000097980195 553986296 /nfs/dbraw/zinc/98/62/96/553986296.db2.gz LASYUDCLBJTXKT-RMFUMNGISA-N 0 0 535.395 3.540 50 0 KHAARN NC(=O)N[C@@H](CC(=O)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1cccc(Br)c1 ZINC000097980196 553986288 /nfs/dbraw/zinc/98/62/88/553986288.db2.gz LASYUDCLBJTXKT-PGLQMZEQSA-N 0 0 535.395 3.540 50 0 KHAARN COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000097980197 553986228 /nfs/dbraw/zinc/98/62/28/553986228.db2.gz KNPUSVCWQCVYEE-SREMRHQCSA-N 0 0 573.668 3.875 50 0 KHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)ccc1Cl ZINC000097980198 553986270 /nfs/dbraw/zinc/98/62/70/553986270.db2.gz HSBFVLICCWRWIJ-CPNJWEJPSA-N 0 0 540.038 3.976 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000097980201 553986216 /nfs/dbraw/zinc/98/62/16/553986216.db2.gz OABCQYVMSDKOKX-XHPQRKPJSA-N 0 0 594.690 3.803 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000097980204 553986568 /nfs/dbraw/zinc/98/65/68/553986568.db2.gz RSHLGIKYLPQXKF-AQTBWJFISA-N 0 0 569.492 3.642 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000097980205 553986570 /nfs/dbraw/zinc/98/65/70/553986570.db2.gz VOYPYRCBLVNEIF-UYRXBGFRSA-N 0 0 569.492 3.642 50 0 KHAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1 ZINC000097980208 1066841909 /nfs/dbraw/zinc/84/19/09/1066841909.db2.gz UXZIKIRHTKZGTA-BEXDPUPVSA-N 0 0 548.646 3.688 50 0 KHAARN COc1ccc(OC)c(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)c1 ZINC000097980221 553986538 /nfs/dbraw/zinc/98/65/38/553986538.db2.gz ZXJGDXXBTDWLAQ-OAYMULHASA-N 0 0 528.583 3.596 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc4c(c3)C(=O)N(c3ccc(NC(C)=O)cc3)C4=O)C2=O)cc1 ZINC000097980259 553986900 /nfs/dbraw/zinc/98/69/00/553986900.db2.gz IQDBAZYVCAWJPX-MYYYXRDXSA-N 0 0 584.610 3.921 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)C2=O)cc1 ZINC000097980265 553986937 /nfs/dbraw/zinc/98/69/37/553986937.db2.gz KLTWCKLRYPTGNG-PGMHBOJBSA-N 0 0 597.637 3.967 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(OC)c(S(=O)(=O)N(C)Cc4ccccc4)c3)C2=O)cc1 ZINC000097980270 553987243 /nfs/dbraw/zinc/98/72/43/553987243.db2.gz QARYMARPMYYCFS-UQQQWYQISA-N 0 0 595.699 3.991 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)C2=O)cc1 ZINC000097980275 553987233 /nfs/dbraw/zinc/98/72/33/553987233.db2.gz XUBOYQKTRFEUMD-NKFKGCMQSA-N 0 0 543.667 3.726 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000097980287 553987165 /nfs/dbraw/zinc/98/71/65/553987165.db2.gz JEMGMIPQEPEVBB-LFIBNONCSA-N 0 0 585.704 3.583 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1OC ZINC000097980321 553987480 /nfs/dbraw/zinc/98/74/80/553987480.db2.gz NWJJBEGSNQVQGJ-KQWNVCNZSA-N 0 0 573.693 3.653 50 0 KHAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)C2=O)cc1OC ZINC000097980323 553987512 /nfs/dbraw/zinc/98/75/12/553987512.db2.gz OKNIQRSXDPRIOA-HAHDFKILSA-N 0 0 594.111 3.998 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000097980339 553987816 /nfs/dbraw/zinc/98/78/16/553987816.db2.gz QJHTWQCISPLKBW-QOMWVZHYSA-N 0 0 594.690 3.803 50 0 KHAARN CSCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000097980340 553987808 /nfs/dbraw/zinc/98/78/08/553987808.db2.gz QBRRJEKIGLTWFB-QIYXJHPLSA-N 0 0 587.667 3.958 50 0 KHAARN CSCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000097980341 553987732 /nfs/dbraw/zinc/98/77/32/553987732.db2.gz QBRRJEKIGLTWFB-HZQOKBKYSA-N 0 0 587.667 3.958 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000097980342 553987737 /nfs/dbraw/zinc/98/77/37/553987737.db2.gz TUVGSPQLNSIBQL-QOMWVZHYSA-N 0 0 576.700 3.664 50 0 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/nfs/dbraw/zinc/02/03/95/554020395.db2.gz PMRRUFZGNOQAQE-UHFFFAOYSA-N 0 0 637.769 3.797 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)N1CCCc2ccccc21 ZINC000097985061 554020319 /nfs/dbraw/zinc/02/03/19/554020319.db2.gz JFNDFNGOZHJRBR-UHFFFAOYSA-N 0 0 620.757 3.528 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000097985064 554020374 /nfs/dbraw/zinc/02/03/74/554020374.db2.gz NBGZMOMKCZBBKW-UHFFFAOYSA-N 0 0 594.694 3.852 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1ccccc1)N1CCc2ccccc21 ZINC000097985065 554020336 /nfs/dbraw/zinc/02/03/36/554020336.db2.gz WHEPBVUOHLRRQC-UHFFFAOYSA-N 0 0 602.742 3.663 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985066 554020492 /nfs/dbraw/zinc/02/04/92/554020492.db2.gz DEZCUFQCHMUHPZ-UHFFFAOYSA-N 0 0 616.769 3.972 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2-c2ccc(F)cc2)cc1 ZINC000097985069 554020343 /nfs/dbraw/zinc/02/03/43/554020343.db2.gz IJSCCKNAPNJVAO-UHFFFAOYSA-N 0 0 624.720 3.860 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1ccc(F)cc1)N1CCc2ccccc21 ZINC000097985070 554020457 /nfs/dbraw/zinc/02/04/57/554020457.db2.gz CCOHHRKKTZJIPM-UHFFFAOYSA-N 0 0 620.732 3.802 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000097985071 554020370 /nfs/dbraw/zinc/02/03/70/554020370.db2.gz IXAZSOQHWDREAE-UHFFFAOYSA-N 0 0 624.720 3.860 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2-c2ccccc2OC)cc1 ZINC000097985072 554020354 /nfs/dbraw/zinc/02/03/54/554020354.db2.gz YOWAUVFYYZZYEV-UHFFFAOYSA-N 0 0 636.756 3.730 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2-c2ccccc2OC)cc1 ZINC000097985073 554020359 /nfs/dbraw/zinc/02/03/59/554020359.db2.gz KWTICYZUONWSGF-UHFFFAOYSA-N 0 0 678.793 3.898 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000097985074 554020389 /nfs/dbraw/zinc/02/03/89/554020389.db2.gz QVQHMTZITUNLBL-UHFFFAOYSA-N 0 0 632.768 3.672 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000097985080 554020382 /nfs/dbraw/zinc/02/03/82/554020382.db2.gz ISVJCUPFJKHMMA-UHFFFAOYSA-N 0 0 649.780 3.559 50 0 KHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C)c2)c1 ZINC000097985083 554020414 /nfs/dbraw/zinc/02/04/14/554020414.db2.gz IPNHRCLXULGXGL-UHFFFAOYSA-N 0 0 620.757 3.566 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 ZINC000097985085 554020440 /nfs/dbraw/zinc/02/04/40/554020440.db2.gz QFONPWKGBQRXCV-UHFFFAOYSA-N 0 0 634.784 3.874 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000097985088 554020811 /nfs/dbraw/zinc/02/08/11/554020811.db2.gz SUZPRCNIYLBLCQ-UHFFFAOYSA-N 0 0 663.807 3.867 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000097985090 554020724 /nfs/dbraw/zinc/02/07/24/554020724.db2.gz KJSTVJQRFTWFEM-UHFFFAOYSA-N 0 0 646.795 3.598 50 0 KHAARN Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)c1 ZINC000097985093 554020867 /nfs/dbraw/zinc/02/08/67/554020867.db2.gz HDHIXOMOPZCVEU-UHFFFAOYSA-N 0 0 638.747 3.705 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1)Nc1nc2ccccc2s1 ZINC000097985096 554020874 /nfs/dbraw/zinc/02/08/74/554020874.db2.gz ALLHSTXVTCYUQV-UHFFFAOYSA-N 0 0 667.770 3.698 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000097985101 554020752 /nfs/dbraw/zinc/02/07/52/554020752.db2.gz FOWDGTABASUGRQ-UHFFFAOYSA-N 0 0 650.783 3.574 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000097985104 554020744 /nfs/dbraw/zinc/02/07/44/554020744.db2.gz UYMKMICLGWSHOV-UHFFFAOYSA-N 0 0 679.806 3.567 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000097985108 554020800 /nfs/dbraw/zinc/02/08/00/554020800.db2.gz DFOSBTWWULEGCJ-UHFFFAOYSA-N 0 0 690.726 3.976 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1cccc(C(F)(F)F)c1)N1CCc2ccccc21 ZINC000097985109 554020849 /nfs/dbraw/zinc/02/08/49/554020849.db2.gz LZCMXUVDNXVVQU-UHFFFAOYSA-N 0 0 686.738 3.918 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2-c2cc(OC)ccc2OC)cc1 ZINC000097985143 554021141 /nfs/dbraw/zinc/02/11/41/554021141.db2.gz RRLSNIIOVZFFQP-UHFFFAOYSA-N 0 0 623.688 3.980 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3cc(OC)c(OC)c(OC)c3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985144 554021136 /nfs/dbraw/zinc/02/11/36/554021136.db2.gz MWBHEXFPRFVOFI-UHFFFAOYSA-N 0 0 619.700 3.922 50 0 KHAARN Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1C ZINC000097985151 554021041 /nfs/dbraw/zinc/02/10/41/554021041.db2.gz SGHGPPRPQRHKRN-UHFFFAOYSA-N 0 0 596.710 3.934 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2cc(C)ccc2C)cc1 ZINC000097985152 554021150 /nfs/dbraw/zinc/02/11/50/554021150.db2.gz GJRRWEWZKAXTHF-UHFFFAOYSA-N 0 0 608.746 3.804 50 0 KHAARN Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985153 554021415 /nfs/dbraw/zinc/02/14/15/554021415.db2.gz GWOAEPJXKBODEB-UHFFFAOYSA-N 0 0 604.758 3.746 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2cccc(C)c2)c1 ZINC000097985154 554021340 /nfs/dbraw/zinc/02/13/40/554021340.db2.gz KSENSTZCXQBCEQ-UHFFFAOYSA-N 0 0 624.745 3.504 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 ZINC000097985157 554021438 /nfs/dbraw/zinc/02/14/38/554021438.db2.gz MYNVBGNMIHFXRY-UHFFFAOYSA-N 0 0 638.772 3.812 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000097985160 554021424 /nfs/dbraw/zinc/02/14/24/554021424.db2.gz FDQXZUUSYYGBAR-UHFFFAOYSA-N 0 0 667.795 3.805 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000097985162 554021430 /nfs/dbraw/zinc/02/14/30/554021430.db2.gz PFEJVLZASBAQHC-UHFFFAOYSA-N 0 0 650.783 3.536 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000097985163 554021304 /nfs/dbraw/zinc/02/13/04/554021304.db2.gz FKCLXLBIXRBYNJ-UHFFFAOYSA-N 0 0 608.746 3.886 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000097985164 554021350 /nfs/dbraw/zinc/02/13/50/554021350.db2.gz UJXGOMYFVXIMEB-UHFFFAOYSA-N 0 0 612.709 3.716 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000097985165 554021362 /nfs/dbraw/zinc/02/13/62/554021362.db2.gz RLOFRUHMORSILS-UHFFFAOYSA-N 0 0 624.745 3.586 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(OCC)cc2)cc1 ZINC000097985166 554021356 /nfs/dbraw/zinc/02/13/56/554021356.db2.gz GVRPSZDEIXKPFS-UHFFFAOYSA-N 0 0 666.782 3.754 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)N2CCc3ccccc32)cc1 ZINC000097985168 554021427 /nfs/dbraw/zinc/02/14/27/554021427.db2.gz OBUGHJQQIUIQCN-UHFFFAOYSA-N 0 0 620.757 3.528 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000097985171 554021311 /nfs/dbraw/zinc/02/13/11/554021311.db2.gz WFBGHOMOOUYAPX-UHFFFAOYSA-N 0 0 654.746 3.869 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2-c2cc(OC)ccc2OC)cc1 ZINC000097985172 554021442 /nfs/dbraw/zinc/02/14/42/554021442.db2.gz XEBSYRRPGCCHKG-UHFFFAOYSA-N 0 0 666.782 3.738 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2-c2cc(OC)ccc2OC)cc1 ZINC000097985173 554021446 /nfs/dbraw/zinc/02/14/46/554021446.db2.gz REAKWEYSLZBRIB-UHFFFAOYSA-N 0 0 708.819 3.907 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985174 554021332 /nfs/dbraw/zinc/02/13/32/554021332.db2.gz MABYFRMILUTTCP-UHFFFAOYSA-N 0 0 662.794 3.680 50 0 KHAARN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(C)ccc2C)c1 ZINC000097985176 554021412 /nfs/dbraw/zinc/02/14/12/554021412.db2.gz HZHLFPZNTQYFQP-UHFFFAOYSA-N 0 0 634.784 3.874 50 0 KHAARN Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 ZINC000097985177 554021408 /nfs/dbraw/zinc/02/14/08/554021408.db2.gz RLUROMCVZJDIQJ-UHFFFAOYSA-N 0 0 638.747 3.705 50 0 KHAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(C)ccc2C)cc1 ZINC000097985178 554021400 /nfs/dbraw/zinc/02/14/00/554021400.db2.gz UWDDPSBHMKOVKC-UHFFFAOYSA-N 0 0 650.783 3.574 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cc(C)ccc2C)cc1 ZINC000097985179 554021324 /nfs/dbraw/zinc/02/13/24/554021324.db2.gz PKSPKPLHOOHWRF-UHFFFAOYSA-N 0 0 692.820 3.743 50 0 KHAARN Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCc3ccccc32)c1 ZINC000097985182 554021450 /nfs/dbraw/zinc/02/14/50/554021450.db2.gz RWNWOXRPQHCNSF-UHFFFAOYSA-N 0 0 646.795 3.516 50 0 KHAARN Cc1ccc(C)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCCc3ccccc32)c1 ZINC000097985183 554021625 /nfs/dbraw/zinc/02/16/25/554021625.db2.gz MCFDGNMXZMJYLS-UHFFFAOYSA-N 0 0 660.822 3.907 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 ZINC000097985186 554021584 /nfs/dbraw/zinc/02/15/84/554021584.db2.gz BVVSMVZGYZRLTP-UHFFFAOYSA-N 0 0 680.809 3.583 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000097985189 554021647 /nfs/dbraw/zinc/02/16/47/554021647.db2.gz CSDRYEBXIIVLRE-UHFFFAOYSA-N 0 0 709.832 3.576 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 ZINC000097985192 554021609 /nfs/dbraw/zinc/02/16/09/554021609.db2.gz GXJNEHDKTHVDOK-UHFFFAOYSA-N 0 0 650.783 3.656 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 ZINC000097985194 554021604 /nfs/dbraw/zinc/02/16/04/554021604.db2.gz UNFJBIQBXOZQJZ-UHFFFAOYSA-N 0 0 664.810 3.965 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(OCC)cc2)cc1 ZINC000097985196 554021591 /nfs/dbraw/zinc/02/15/91/554021591.db2.gz YLVJQKSMQVACTB-UHFFFAOYSA-N 0 0 708.819 3.524 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000097985197 554021612 /nfs/dbraw/zinc/02/16/12/554021612.db2.gz DSHYPTIUGCHVRV-UHFFFAOYSA-N 0 0 693.833 3.957 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)N2CCCc3ccccc32)cc1 ZINC000097985199 554021661 /nfs/dbraw/zinc/02/16/61/554021661.db2.gz PPDCTPXCKUTHNN-UHFFFAOYSA-N 0 0 676.821 3.688 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(OC)c(OC)c3)nnc2SCC(=O)N2CCc3ccccc32)c1 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O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985354 554023143 /nfs/dbraw/zinc/02/31/43/554023143.db2.gz PSYIKOQIHXORGO-IBGZPJMESA-N 0 0 574.422 3.534 50 0 KHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985355 554023182 /nfs/dbraw/zinc/02/31/82/554023182.db2.gz PSYIKOQIHXORGO-LJQANCHMSA-N 0 0 574.422 3.534 50 0 KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCc4ccco4)cc3nc2SCC(=O)N2CCCC2)cc1OC ZINC000097985365 554023140 /nfs/dbraw/zinc/02/31/40/554023140.db2.gz NTDMEDUNUQCVID-UHFFFAOYSA-N 0 0 548.621 3.640 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)c3cnc4ccc(S(=O)(=O)N5CCN(c6ccc(F)cc6)CC5)cc4c3O)CC2)c1 ZINC000097985371 554023079 /nfs/dbraw/zinc/02/30/79/554023079.db2.gz QUWKBRAYJCLQGQ-UHFFFAOYSA-N 0 0 603.720 3.757 50 0 KHAARN COc1ccc(C=C2SC(=O)N(CCNC(=O)CCCOc3ccc(C(C)=O)cc3)C2=O)cc1OC ZINC000097985804 554023105 /nfs/dbraw/zinc/02/31/05/554023105.db2.gz VUEBTSLOKDIIEM-XQNSMLJCSA-N 0 0 512.584 3.918 50 0 KHAARN 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CCOC(=O)[C@H]1CCCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)C1 ZINC000097987017 554026614 /nfs/dbraw/zinc/02/66/14/554026614.db2.gz IPVNMKXONMVFSX-HNNXBMFYSA-N 0 0 544.431 3.652 50 0 KHAARN CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)CC1 ZINC000097987018 554026686 /nfs/dbraw/zinc/02/66/86/554026686.db2.gz DHXOZJAADWMJSB-UHFFFAOYSA-N 0 0 544.431 3.652 50 0 KHAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000097987839 554027417 /nfs/dbraw/zinc/02/74/17/554027417.db2.gz RCJTVGBZGRYFRR-UHFFFAOYSA-N 0 0 547.874 3.764 50 0 KHAARN CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccc(Br)cc2)C(=O)C1=O ZINC000097987862 554027776 /nfs/dbraw/zinc/02/77/76/554027776.db2.gz BQWJWYBEGYURIG-FQEVSTJZSA-N 0 0 562.262 3.580 50 0 KHAARN CCN1CCN(CC(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccc(Br)cc2)C(=O)C1=O ZINC000097987863 554027856 /nfs/dbraw/zinc/02/78/56/554027856.db2.gz BQWJWYBEGYURIG-HXUWFJFHSA-N 0 0 562.262 3.580 50 0 KHAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1Cl ZINC000097987867 554027810 /nfs/dbraw/zinc/02/78/10/554027810.db2.gz IQRFKRAYEJLSCD-UHFFFAOYSA-N 0 0 568.102 3.504 50 0 KHAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NCc1ccc(F)cc1 ZINC000097987874 554027893 /nfs/dbraw/zinc/02/78/93/554027893.db2.gz FRGIMHJHFMGWFG-UHFFFAOYSA-N 0 0 549.675 3.513 50 0 KHAARN CCc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)cc1 ZINC000097987875 554027906 /nfs/dbraw/zinc/02/79/06/554027906.db2.gz WJUYIHMBKPJASC-UHFFFAOYSA-N 0 0 531.685 3.868 50 0 KHAARN COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(Br)cc4F)n3N)n[nH]2)cc1 ZINC000097990122 554028249 /nfs/dbraw/zinc/02/82/49/554028249.db2.gz AFYIZQWLHCUKAN-UHFFFAOYSA-N 0 0 518.372 3.690 50 0 KHAARN Cc1c(NC(=O)NCCCCCCNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000097990139 554028483 /nfs/dbraw/zinc/02/84/83/554028483.db2.gz LCYOGFOAZQDALB-UHFFFAOYSA-N 0 0 574.686 3.786 50 0 KHAARN Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Br)cc4)nn32)cc1 ZINC000097990168 554028499 /nfs/dbraw/zinc/02/84/99/554028499.db2.gz LFEOZEFWVOJRDG-UHFFFAOYSA-N 0 0 525.432 3.899 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Br)cc4)nn32)cc1 ZINC000097990171 554028772 /nfs/dbraw/zinc/02/87/72/554028772.db2.gz ZCNFEQAYWPEZKH-UHFFFAOYSA-N 0 0 541.431 3.599 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nn32)cc1 ZINC000097990173 554028819 /nfs/dbraw/zinc/02/88/19/554028819.db2.gz AGFUCMWYNKCZMC-UHFFFAOYSA-N 0 0 530.532 3.855 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000097990174 554028823 /nfs/dbraw/zinc/02/88/23/554028823.db2.gz BTERUKSPTXMHOG-UHFFFAOYSA-N 0 0 530.532 3.855 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nn32)cc1 ZINC000097990175 554028780 /nfs/dbraw/zinc/02/87/80/554028780.db2.gz MBEXTXXJGYEJCC-UHFFFAOYSA-N 0 0 530.532 3.855 50 0 KHAARN O=C(CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097990801 554028716 /nfs/dbraw/zinc/02/87/16/554028716.db2.gz NCMPBDBANDDSQL-UHFFFAOYSA-N 0 0 543.951 3.585 50 0 KHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)s1 ZINC000097990828 554029116 /nfs/dbraw/zinc/02/91/16/554029116.db2.gz KWZOFQIWWZCIMQ-UHFFFAOYSA-N 0 0 564.667 3.526 50 0 KHAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)co2)s1)C1CC1 ZINC000097990840 554029070 /nfs/dbraw/zinc/02/90/70/554029070.db2.gz SFKCFDMAQCYWBG-UHFFFAOYSA-N 0 0 576.678 3.526 50 0 KHAARN CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)co2)s1 ZINC000097990864 554029415 /nfs/dbraw/zinc/02/94/15/554029415.db2.gz HCKWJXCWSQLJNV-UHFFFAOYSA-N 0 0 566.683 3.628 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cc1 ZINC000097990897 554029799 /nfs/dbraw/zinc/02/97/99/554029799.db2.gz WWKMADZKHKAJLG-UHFFFAOYSA-N 0 0 578.675 3.567 50 0 KHAARN COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097993243 554030714 /nfs/dbraw/zinc/03/07/14/554030714.db2.gz WEXUYLAVZMJNTA-UUGOLLBNSA-N 0 0 516.642 3.991 50 0 KHAARN O=C(CCCC(=O)N1CCOCCOCCN(C(=O)CCCC(=O)OCc2ccccc2)CCOCC1)OCc1ccccc1 ZINC000097994454 554031869 /nfs/dbraw/zinc/03/18/69/554031869.db2.gz ZFVIAHKJCOCOGI-UHFFFAOYSA-N 0 0 626.747 3.534 50 0 KHAARN O=C(NN1C(=O)c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(NC(=O)c4ccncc4)C5=O)c3)cc2C1=O)c1ccncc1 ZINC000097994478 554032050 /nfs/dbraw/zinc/03/20/50/554032050.db2.gz ARDBJNFDCZVTAF-UHFFFAOYSA-N 0 0 640.568 3.943 50 0 KHAARN COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000097994488 554032071 /nfs/dbraw/zinc/03/20/71/554032071.db2.gz TZYAPVNAZFINLH-UHFFFAOYSA-N 0 0 534.510 3.856 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000097994498 554032089 /nfs/dbraw/zinc/03/20/89/554032089.db2.gz YKRTXGMGTUWRJN-UHFFFAOYSA-N 0 0 529.084 3.900 50 0 KHAARN COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000097994509 554032311 /nfs/dbraw/zinc/03/23/11/554032311.db2.gz XORPNJRJMHOUCN-INIZCTEOSA-N 0 0 527.093 3.522 50 0 KHAARN COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 ZINC000097994510 554032369 /nfs/dbraw/zinc/03/23/69/554032369.db2.gz XORPNJRJMHOUCN-MRXNPFEDSA-N 0 0 527.093 3.522 50 0 KHAARN O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000097994513 554032320 /nfs/dbraw/zinc/03/23/20/554032320.db2.gz PPUFRLRHNSRKKD-CQSZACIVSA-N 0 0 533.047 3.791 50 0 KHAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000097994514 554032330 /nfs/dbraw/zinc/03/23/30/554032330.db2.gz PPUFRLRHNSRKKD-AWEZNQCLSA-N 0 0 533.047 3.791 50 0 KHAARN COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000097994522 554032295 /nfs/dbraw/zinc/03/22/95/554032295.db2.gz FTXPXPAELZWWFG-UHFFFAOYSA-N 0 0 524.624 3.568 50 0 KHAARN CS(=O)(=O)N(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CCC1)C1CCCCC1 ZINC000097994662 554032619 /nfs/dbraw/zinc/03/26/19/554032619.db2.gz NYNAFPQIGOOXNZ-XUTLUUPISA-N 0 0 501.649 3.671 50 0 KHAARN COc1cc(/C=C\C(=O)OCCOC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097994812 1066842379 /nfs/dbraw/zinc/84/23/79/1066842379.db2.gz UVWYICDXSCRRJD-XOHWUJONSA-N 0 0 502.516 3.551 50 0 KHAARN COc1cc(/C=C/C(=O)OCCOC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097994813 1066842523 /nfs/dbraw/zinc/84/25/23/1066842523.db2.gz UVWYICDXSCRRJD-FKJILZIQSA-N 0 0 502.516 3.551 50 0 KHAARN CC(C)(c1ccc(NC(=O)CSc2nnc(N)s2)c(O)c1)c1ccc(NC(=O)CSc2nnc(N)s2)c(O)c1 ZINC000097994892 554033033 /nfs/dbraw/zinc/03/30/33/554033033.db2.gz QNLBEYHIIUVSLY-UHFFFAOYSA-N 0 0 604.765 3.753 50 0 KHAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 ZINC000097994920 554032984 /nfs/dbraw/zinc/03/29/84/554032984.db2.gz NOHTZAWHXSRCOS-UHFFFAOYSA-N 0 0 538.855 3.829 50 0 KHAARN O=C(/C=C\c1ccccc1)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097995105 1066842455 /nfs/dbraw/zinc/84/24/55/1066842455.db2.gz IBAVUEPTFSDWLI-VMPOVSTKSA-N 0 0 506.580 3.644 50 0 KHAARN O=C(/C=C\c1ccccc1)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097995106 1066842347 /nfs/dbraw/zinc/84/23/47/1066842347.db2.gz IBAVUEPTFSDWLI-BUOWTUAJSA-N 0 0 506.580 3.644 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000097995144 1066842301 /nfs/dbraw/zinc/84/23/01/1066842301.db2.gz GMEOFONQEQQOKF-BAQGIRSFSA-N 0 0 500.429 3.541 50 0 KHAARN O=C(/C=C\c1cccs1)O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097995186 1066842319 /nfs/dbraw/zinc/84/23/19/1066842319.db2.gz OHZJUSORSCIBPZ-IPYQYMIDSA-N 0 0 512.609 3.705 50 0 KHAARN O=C(/C=C\c1cccs1)O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000097995187 1066842465 /nfs/dbraw/zinc/84/24/65/1066842465.db2.gz OHZJUSORSCIBPZ-FJIRUFBNSA-N 0 0 512.609 3.705 50 0 KHAARN COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(S(=O)(=O)c3ccccc3)n2)cc1OC ZINC000097995301 554033589 /nfs/dbraw/zinc/03/35/89/554033589.db2.gz CQORIZQGCZLXGW-UHFFFAOYSA-N 0 0 539.614 3.774 50 0 KHAARN O=C(CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000097995322 554033893 /nfs/dbraw/zinc/03/38/93/554033893.db2.gz XTFGHZUEHYPABC-NSOVKSMOSA-N 0 0 558.631 3.808 50 0 KHAARN O=C(CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)COc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000097995323 554033882 /nfs/dbraw/zinc/03/38/82/554033882.db2.gz XTFGHZUEHYPABC-IZLXSDGUSA-N 0 0 558.631 3.808 50 0 KHAARN O=C(CC[C@H](NC(=O)[C@H]1CCCN1C(=O)COc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000097995324 554033780 /nfs/dbraw/zinc/03/37/80/554033780.db2.gz XTFGHZUEHYPABC-WUFINQPMSA-N 0 0 558.631 3.808 50 0 KHAARN O=C(CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)COc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000097995325 554033847 /nfs/dbraw/zinc/03/38/47/554033847.db2.gz XTFGHZUEHYPABC-VSGBNLITSA-N 0 0 558.631 3.808 50 0 KHAARN CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ncc(Br)cc1Br ZINC000097995342 554034052 /nfs/dbraw/zinc/03/40/52/554034052.db2.gz CRQKPONDGNFRIG-INIZCTEOSA-N 0 0 527.213 3.933 50 0 KHAARN CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ncc(Br)cc1Br ZINC000097995343 554034198 /nfs/dbraw/zinc/03/41/98/554034198.db2.gz CRQKPONDGNFRIG-MRXNPFEDSA-N 0 0 527.213 3.933 50 0 KHAARN Cc1c(Cl)cccc1N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccccc1 ZINC000097995539 554035908 /nfs/dbraw/zinc/03/59/08/554035908.db2.gz CMUIKAOFMQCLII-UHFFFAOYSA-N 0 0 542.057 3.917 50 0 KHAARN COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1 ZINC000097995652 554036495 /nfs/dbraw/zinc/03/64/95/554036495.db2.gz SFHNOJDXOJCDAT-UHFFFAOYSA-N 0 0 569.250 3.928 50 0 KHAARN COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000097995657 554036753 /nfs/dbraw/zinc/03/67/53/554036753.db2.gz NRMJYEOZMUQCBN-UHFFFAOYSA-N 0 0 533.581 3.714 50 0 KHAARN O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000097997432 1066842352 /nfs/dbraw/zinc/84/23/52/1066842352.db2.gz JGYPWFISXIHIGN-RQOWECAXSA-N 0 0 503.429 3.763 50 0 KHAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)/C=C\c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 ZINC000097997961 1066843118 /nfs/dbraw/zinc/84/31/18/1066843118.db2.gz PQKOJHHTPAKKFO-QBFSEMIESA-N 0 0 512.584 3.782 50 0 KHAARN COc1ccc(NC(=O)COC(=O)/C=C\c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000097997984 1066843026 /nfs/dbraw/zinc/84/30/26/1066843026.db2.gz KNTKLYFPVNACED-LUAWRHEFSA-N 0 0 510.971 3.857 50 0 KHAARN COc1cc(/C=C\C(=O)OCCCOC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097998023 1066843089 /nfs/dbraw/zinc/84/30/89/1066843089.db2.gz LPGGBMNNKQSESB-WGEIWTTOSA-N 0 0 516.543 3.941 50 0 KHAARN COc1cc(/C=C/C(=O)OCCCOC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000097998024 1066843097 /nfs/dbraw/zinc/84/30/97/1066843097.db2.gz LPGGBMNNKQSESB-PNQPDEHRSA-N 0 0 516.543 3.941 50 0 KHAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 ZINC000097998469 554041399 /nfs/dbraw/zinc/04/13/99/554041399.db2.gz DUDIVQPBQCCXPC-DFOZZHOTSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 ZINC000097998470 554041331 /nfs/dbraw/zinc/04/13/31/554041331.db2.gz DUDIVQPBQCCXPC-VOGGAGISSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc(OC)cc2)c1=O ZINC000097999309 554041994 /nfs/dbraw/zinc/04/19/94/554041994.db2.gz QYLXNVSHKZNEDX-UHFFFAOYSA-N 0 0 527.533 3.782 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 ZINC000097999310 554041930 /nfs/dbraw/zinc/04/19/30/554041930.db2.gz ZGTADYGRGVDFGL-UHFFFAOYSA-N 0 0 527.533 3.782 50 0 KHAARN COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000097999315 554041979 /nfs/dbraw/zinc/04/19/79/554041979.db2.gz UEWXHCQQGHJXCJ-UHFFFAOYSA-N 0 0 554.647 3.582 50 0 biogenic KHAARN COc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000097999316 554041947 /nfs/dbraw/zinc/04/19/47/554041947.db2.gz XSZFBMZQEKNHGU-UHFFFAOYSA-N 0 0 578.625 3.781 50 0 biogenic KHAARN Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(C(=O)c4ccco4)CC2)c2cc(Cl)ccc23)cc1C ZINC000097999321 554041913 /nfs/dbraw/zinc/04/19/13/554041913.db2.gz DAUSEZAGGVPUBU-UHFFFAOYSA-N 0 0 551.028 3.936 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(O)n2)cc1 ZINC000097999335 554042361 /nfs/dbraw/zinc/04/23/61/554042361.db2.gz QNBNIWGXZPPYKT-UHFFFAOYSA-N 0 0 552.428 3.685 50 0 KHAARN COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(O)n2)c1 ZINC000097999338 554042325 /nfs/dbraw/zinc/04/23/25/554042325.db2.gz LIYFITIYTBJCCT-UHFFFAOYSA-N 0 0 540.417 3.526 50 0 KHAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1)Nc1ccc(F)cc1F ZINC000097999341 554042305 /nfs/dbraw/zinc/04/23/05/554042305.db2.gz SOFBGJOCKNTSEY-UHFFFAOYSA-N 0 0 516.345 3.787 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1 ZINC000097999342 554042312 /nfs/dbraw/zinc/04/23/12/554042312.db2.gz IQDHEYWWDPJVSV-UHFFFAOYSA-N 0 0 552.428 3.685 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(Cc3ccc4c(c3)OCO4)c2=O)cc1 ZINC000097999357 554042302 /nfs/dbraw/zinc/04/23/02/554042302.db2.gz WNNRRPQUEJXLON-UHFFFAOYSA-N 0 0 541.516 3.502 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(C)cc2N(C(C)=O)C1(C)C ZINC000097999379 554042603 /nfs/dbraw/zinc/04/26/03/554042603.db2.gz NBXXIDMHHGKGQW-UHFFFAOYSA-N 0 0 605.712 3.932 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cccc(OC)c2N(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000097999710 554045328 /nfs/dbraw/zinc/04/53/28/554045328.db2.gz PQTRCMNTXDQKRP-UHFFFAOYSA-N 0 0 766.828 3.909 50 0 KHAARN COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)ccc2N(C(C)=O)C1(C)C ZINC000097999904 554046799 /nfs/dbraw/zinc/04/67/99/554046799.db2.gz AZNYXHZEIFEGOC-UHFFFAOYSA-N 0 0 605.712 3.932 50 0 KHAARN CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)c3ccccc32)ccc1OC ZINC000098000102 554048420 /nfs/dbraw/zinc/04/84/20/554048420.db2.gz 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3.949 50 0 KHAARN CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3 ZINC000098009684 554070243 /nfs/dbraw/zinc/07/02/43/554070243.db2.gz NOFVEVWHZVBHFA-UHFFFAOYSA-N 0 0 585.679 3.717 50 0 KHAARN CCCCn1c(=O)c2cc(N3CCOCC3)ccc2nc1SCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000098009685 554070182 /nfs/dbraw/zinc/07/01/82/554070182.db2.gz IMEHZZZZAJBYMS-UHFFFAOYSA-N 0 0 540.686 3.501 50 0 KHAARN COCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCCCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000098009704 554070439 /nfs/dbraw/zinc/07/04/39/554070439.db2.gz IHYQGQVTVNREQW-UHFFFAOYSA-N 0 0 590.768 3.639 50 0 KHAARN COc1cccc(CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2C(=O)N2CCC(C)CC2)c1OC ZINC000098009710 554070452 /nfs/dbraw/zinc/07/04/52/554070452.db2.gz FEMRTLCQKMGJJS-UHFFFAOYSA-N 0 0 547.743 3.804 50 0 KHAARN O=C(COCc1ccccc1)N(CCCN1CCOCC1)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000098009768 554071022 /nfs/dbraw/zinc/07/10/22/554071022.db2.gz ZQWFIEGZALVCPF-UHFFFAOYSA-N 0 0 543.462 3.809 50 0 KHAARN COCCN(Cc1ccc(OC)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1)C(=O)c1ccccc1F ZINC000098010757 554074046 /nfs/dbraw/zinc/07/40/46/554074046.db2.gz VPKJNBPZSFFZRF-UHFFFAOYSA-N 0 0 530.574 3.849 50 0 KHAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NC[C@@H]3CCCO3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000098011372 554079897 /nfs/dbraw/zinc/07/98/97/554079897.db2.gz APWHPZLCWXTBIC-DCFHFQCYSA-N 0 0 536.654 3.569 50 0 KHAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NC[C@@H]3CCCO3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000098011373 554079905 /nfs/dbraw/zinc/07/99/05/554079905.db2.gz APWHPZLCWXTBIC-CCLHPLFOSA-N 0 0 536.654 3.569 50 0 KHAARN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NC[C@H]3CCCO3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000098011374 554079946 /nfs/dbraw/zinc/07/99/46/554079946.db2.gz APWHPZLCWXTBIC-HRFSGMKKSA-N 0 0 536.654 3.569 50 0 KHAARN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NC[C@H]3CCCO3)c3c2c(-c2ccccc2)nn3C)c1 ZINC000098011375 554079964 /nfs/dbraw/zinc/07/99/64/554079964.db2.gz APWHPZLCWXTBIC-NFQMXDRXSA-N 0 0 536.654 3.569 50 0 KHAARN O=C(NCc1ccncc1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014631 554091513 /nfs/dbraw/zinc/09/15/13/554091513.db2.gz CXALYBJYVFCGSP-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccncc1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014632 554091537 /nfs/dbraw/zinc/09/15/37/554091537.db2.gz CXALYBJYVFCGSP-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccccn1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014633 554091498 /nfs/dbraw/zinc/09/14/98/554091498.db2.gz ISYJVDMIHGJLPK-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014634 554091524 /nfs/dbraw/zinc/09/15/24/554091524.db2.gz ISYJVDMIHGJLPK-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014641 554091460 /nfs/dbraw/zinc/09/14/60/554091460.db2.gz DHVWVMGXBQIIKU-QHCPKHFHSA-N 0 0 525.964 3.862 50 0 KHAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014642 554091529 /nfs/dbraw/zinc/09/15/29/554091529.db2.gz DHVWVMGXBQIIKU-HSZRJFAPSA-N 0 0 525.964 3.862 50 0 KHAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014645 554091797 /nfs/dbraw/zinc/09/17/97/554091797.db2.gz KLYQXZYGAYYKPR-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014646 554091773 /nfs/dbraw/zinc/09/17/73/554091773.db2.gz KLYQXZYGAYYKPR-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(CC)cc4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000098014671 554091808 /nfs/dbraw/zinc/09/18/08/554091808.db2.gz DLQRXNGZBXOCNW-MHZLTWQESA-N 0 0 579.669 3.663 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(CC)cc4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000098014672 554091789 /nfs/dbraw/zinc/09/17/89/554091789.db2.gz DLQRXNGZBXOCNW-HHHXNRCGSA-N 0 0 579.669 3.663 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000098014675 554091812 /nfs/dbraw/zinc/09/18/12/554091812.db2.gz NOVIOKLGYNVLKG-SANMLTNESA-N 0 0 531.584 3.624 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)cc1 ZINC000098014676 554091819 /nfs/dbraw/zinc/09/18/19/554091819.db2.gz NOVIOKLGYNVLKG-AREMUKBSSA-N 0 0 531.584 3.624 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000098014705 554092123 /nfs/dbraw/zinc/09/21/23/554092123.db2.gz GKQWAKBQJLVIPO-SANMLTNESA-N 0 0 531.584 3.624 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000098014706 554092116 /nfs/dbraw/zinc/09/21/16/554092116.db2.gz GKQWAKBQJLVIPO-AREMUKBSSA-N 0 0 531.584 3.624 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000098014713 554092065 /nfs/dbraw/zinc/09/20/65/554092065.db2.gz HDZPMGCTJFJVFE-FIPFOOKPSA-N 0 0 541.648 3.975 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000098014714 554092121 /nfs/dbraw/zinc/09/21/21/554092121.db2.gz HDZPMGCTJFJVFE-LXFBAYGMSA-N 0 0 541.648 3.975 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000098014715 554092141 /nfs/dbraw/zinc/09/21/41/554092141.db2.gz HDZPMGCTJFJVFE-NEKDWFFYSA-N 0 0 541.648 3.975 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCN(C(=O)Cc2ccccc2)CC3)cc1 ZINC000098014716 554092533 /nfs/dbraw/zinc/09/25/33/554092533.db2.gz HDZPMGCTJFJVFE-QDPGVEIFSA-N 0 0 541.648 3.975 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014729 554092471 /nfs/dbraw/zinc/09/24/71/554092471.db2.gz GGYHNCZVDRFSLE-VWLOTQADSA-N 0 0 549.027 3.534 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014730 554092544 /nfs/dbraw/zinc/09/25/44/554092544.db2.gz GGYHNCZVDRFSLE-RUZDIDTESA-N 0 0 549.027 3.534 50 0 KHAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014735 554092421 /nfs/dbraw/zinc/09/24/21/554092421.db2.gz JHQDDJQOGQDTLL-VWLOTQADSA-N 0 0 549.027 3.534 50 0 KHAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014736 554092457 /nfs/dbraw/zinc/09/24/57/554092457.db2.gz JHQDDJQOGQDTLL-RUZDIDTESA-N 0 0 549.027 3.534 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1 ZINC000098014769 554092698 /nfs/dbraw/zinc/09/26/98/554092698.db2.gz TWEMOZKDKVTNGX-DEOSSOPVSA-N 0 0 562.022 3.859 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1 ZINC000098014770 554092706 /nfs/dbraw/zinc/09/27/06/554092706.db2.gz TWEMOZKDKVTNGX-XMMPIXPASA-N 0 0 562.022 3.859 50 0 KHAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014771 554092747 /nfs/dbraw/zinc/09/27/47/554092747.db2.gz OIRUHUVOFAOJQW-REWPJTCUSA-N 0 0 546.451 3.762 50 0 KHAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014772 554092767 /nfs/dbraw/zinc/09/27/67/554092767.db2.gz OIRUHUVOFAOJQW-NZQKXSOJSA-N 0 0 546.451 3.762 50 0 KHAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014773 554092762 /nfs/dbraw/zinc/09/27/62/554092762.db2.gz OIRUHUVOFAOJQW-OFNKIYASSA-N 0 0 546.451 3.762 50 0 KHAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014774 554092738 /nfs/dbraw/zinc/09/27/38/554092738.db2.gz OIRUHUVOFAOJQW-NFBKMPQASA-N 0 0 546.451 3.762 50 0 KHAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1 ZINC000098014777 554092751 /nfs/dbraw/zinc/09/27/51/554092751.db2.gz ZDGPNHRCUDLKFI-VWLOTQADSA-N 0 0 541.604 3.514 50 0 KHAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1 ZINC000098014778 554092710 /nfs/dbraw/zinc/09/27/10/554092710.db2.gz ZDGPNHRCUDLKFI-RUZDIDTESA-N 0 0 541.604 3.514 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000098014793 554092721 /nfs/dbraw/zinc/09/27/21/554092721.db2.gz QLOHPWISLXKLSN-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000098014794 554093011 /nfs/dbraw/zinc/09/30/11/554093011.db2.gz QLOHPWISLXKLSN-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014795 554093072 /nfs/dbraw/zinc/09/30/72/554093072.db2.gz KCIXLADRVQXETJ-SANMLTNESA-N 0 0 571.630 3.522 50 0 KHAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2cccc(C)c2)cc1 ZINC000098014796 554093004 /nfs/dbraw/zinc/09/30/04/554093004.db2.gz KCIXLADRVQXETJ-AREMUKBSSA-N 0 0 571.630 3.522 50 0 KHAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014803 554093060 /nfs/dbraw/zinc/09/30/60/554093060.db2.gz LKNXHDZPDVMWLQ-QFIPXVFZSA-N 0 0 534.440 3.538 50 0 KHAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1cccc(C)c1 ZINC000098014804 554093000 /nfs/dbraw/zinc/09/30/00/554093000.db2.gz LKNXHDZPDVMWLQ-JOCHJYFZSA-N 0 0 534.440 3.538 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1 ZINC000098014811 554093037 /nfs/dbraw/zinc/09/30/37/554093037.db2.gz VNTVDXRSCVQFAK-QHCPKHFHSA-N 0 0 546.451 3.634 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1 ZINC000098014812 554093039 /nfs/dbraw/zinc/09/30/39/554093039.db2.gz VNTVDXRSCVQFAK-HSZRJFAPSA-N 0 0 546.451 3.634 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000098014833 554093252 /nfs/dbraw/zinc/09/32/52/554093252.db2.gz PUSWXGHMJZMMHC-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000098014834 554093226 /nfs/dbraw/zinc/09/32/26/554093226.db2.gz PUSWXGHMJZMMHC-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccnc2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000098014835 554093237 /nfs/dbraw/zinc/09/32/37/554093237.db2.gz OBEKYNZJRJCHBE-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2cccnc2)COC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000098014836 554093232 /nfs/dbraw/zinc/09/32/32/554093232.db2.gz OBEKYNZJRJCHBE-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000098014845 554093216 /nfs/dbraw/zinc/09/32/16/554093216.db2.gz YPXCKQVAWMYNGP-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000098014846 554093229 /nfs/dbraw/zinc/09/32/29/554093229.db2.gz YPXCKQVAWMYNGP-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000098014857 554093256 /nfs/dbraw/zinc/09/32/56/554093256.db2.gz IBFVINWNRWTCLC-SANMLTNESA-N 0 0 555.631 3.822 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000098014858 554093657 /nfs/dbraw/zinc/09/36/57/554093657.db2.gz IBFVINWNRWTCLC-AREMUKBSSA-N 0 0 555.631 3.822 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccccc4C)CC3)N2C(=O)c2ccc(C)cc2)CC1 ZINC000098014859 554093628 /nfs/dbraw/zinc/09/36/28/554093628.db2.gz FGIYUZWWEFFHML-MHZLTWQESA-N 0 0 561.679 3.579 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccccc4C)CC3)N2C(=O)c2ccc(C)cc2)CC1 ZINC000098014860 554093625 /nfs/dbraw/zinc/09/36/25/554093625.db2.gz FGIYUZWWEFFHML-HHHXNRCGSA-N 0 0 561.679 3.579 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccc(C)c4)CC3)N2C(=O)c2ccc(C)cc2)CC1 ZINC000098014865 554093635 /nfs/dbraw/zinc/09/36/35/554093635.db2.gz WXJQOXIADJAETM-MHZLTWQESA-N 0 0 561.679 3.579 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccc(C)c4)CC3)N2C(=O)c2ccc(C)cc2)CC1 ZINC000098014866 554093618 /nfs/dbraw/zinc/09/36/18/554093618.db2.gz WXJQOXIADJAETM-HHHXNRCGSA-N 0 0 561.679 3.579 50 0 KHAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000098014877 554093651 /nfs/dbraw/zinc/09/36/51/554093651.db2.gz DSUARULXPYCAAE-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000098014878 554093654 /nfs/dbraw/zinc/09/36/54/554093654.db2.gz DSUARULXPYCAAE-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000098014889 554093662 /nfs/dbraw/zinc/09/36/62/554093662.db2.gz QTJOQKLFBTUQTL-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000098014890 554093855 /nfs/dbraw/zinc/09/38/55/554093855.db2.gz QTJOQKLFBTUQTL-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000098014891 554093867 /nfs/dbraw/zinc/09/38/67/554093867.db2.gz HUDVKWAADIYWNO-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000098014892 554093830 /nfs/dbraw/zinc/09/38/30/554093830.db2.gz HUDVKWAADIYWNO-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014897 554093804 /nfs/dbraw/zinc/09/38/04/554093804.db2.gz USCKXUIOJLIAAG-VWLOTQADSA-N 0 0 541.604 3.514 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014898 554093813 /nfs/dbraw/zinc/09/38/13/554093813.db2.gz USCKXUIOJLIAAG-RUZDIDTESA-N 0 0 541.604 3.514 50 0 KHAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014899 554093873 /nfs/dbraw/zinc/09/38/73/554093873.db2.gz YGJYGMHJEIDHOB-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000098014900 554093864 /nfs/dbraw/zinc/09/38/64/554093864.db2.gz YGJYGMHJEIDHOB-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN O=C(NCc1ccccn1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014928 554093858 /nfs/dbraw/zinc/09/38/58/554093858.db2.gz YJWOFYZJOWOTFO-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014929 554093839 /nfs/dbraw/zinc/09/38/39/554093839.db2.gz YJWOFYZJOWOTFO-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014930 554094113 /nfs/dbraw/zinc/09/41/13/554094113.db2.gz DLSWWXFEJLFZQI-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014931 554094158 /nfs/dbraw/zinc/09/41/58/554094158.db2.gz DLSWWXFEJLFZQI-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014936 554094139 /nfs/dbraw/zinc/09/41/39/554094139.db2.gz RONNJGKKQHAQOH-QHCPKHFHSA-N 0 0 525.964 3.862 50 0 KHAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014937 554094208 /nfs/dbraw/zinc/09/42/08/554094208.db2.gz RONNJGKKQHAQOH-HSZRJFAPSA-N 0 0 525.964 3.862 50 0 KHAARN O=C(NCc1ccccn1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014944 554094162 /nfs/dbraw/zinc/09/41/62/554094162.db2.gz MYOJTOQQDYLKDY-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1ccccn1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014945 554094167 /nfs/dbraw/zinc/09/41/67/554094167.db2.gz MYOJTOQQDYLKDY-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014946 554094118 /nfs/dbraw/zinc/09/41/18/554094118.db2.gz LUSQFKXKSYQYID-DEOSSOPVSA-N 0 0 536.991 3.664 50 0 KHAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1cccc(F)c1 ZINC000098014947 554094152 /nfs/dbraw/zinc/09/41/52/554094152.db2.gz LUSQFKXKSYQYID-XMMPIXPASA-N 0 0 536.991 3.664 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000098014952 554094164 /nfs/dbraw/zinc/09/41/64/554094164.db2.gz DRWREEXDVRXDSM-SANMLTNESA-N 0 0 531.584 3.624 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000098014953 554094130 /nfs/dbraw/zinc/09/41/30/554094130.db2.gz DRWREEXDVRXDSM-AREMUKBSSA-N 0 0 531.584 3.624 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000098014960 554094175 /nfs/dbraw/zinc/09/41/75/554094175.db2.gz DRUQMBKDKBQYAF-SANMLTNESA-N 0 0 531.584 3.624 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000098014961 554094203 /nfs/dbraw/zinc/09/42/03/554094203.db2.gz DRUQMBKDKBQYAF-AREMUKBSSA-N 0 0 531.584 3.624 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000098014966 554094530 /nfs/dbraw/zinc/09/45/30/554094530.db2.gz HTWKEPIOZLABBE-VWLOTQADSA-N 0 0 549.027 3.534 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000098014967 554094540 /nfs/dbraw/zinc/09/45/40/554094540.db2.gz HTWKEPIOZLABBE-RUZDIDTESA-N 0 0 549.027 3.534 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NC3CC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1 ZINC000098014980 554094483 /nfs/dbraw/zinc/09/44/83/554094483.db2.gz IXVYJOKWAWCEQB-QFIPXVFZSA-N 0 0 532.424 3.754 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NC3CC3)COC23CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC3)c1 ZINC000098014981 554094497 /nfs/dbraw/zinc/09/44/97/554094497.db2.gz IXVYJOKWAWCEQB-JOCHJYFZSA-N 0 0 532.424 3.754 50 0 KHAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 ZINC000098015005 554094836 /nfs/dbraw/zinc/09/48/36/554094836.db2.gz ALFKOEKAUWWROL-UHFFFAOYSA-N 0 0 533.654 3.659 50 0 KHAARN Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000098015142 554096208 /nfs/dbraw/zinc/09/62/08/554096208.db2.gz HFFXTLAWXBOYJU-NRFANRHFSA-N 0 0 551.669 3.630 50 0 KHAARN Cc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000098015143 554096216 /nfs/dbraw/zinc/09/62/16/554096216.db2.gz HFFXTLAWXBOYJU-OAQYLSRUSA-N 0 0 551.669 3.630 50 0 KHAARN CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(C)cc(N4CCN(c5ccccc5Cl)CC4)n3)o2)CC1 ZINC000098015145 554096203 /nfs/dbraw/zinc/09/62/03/554096203.db2.gz QFMJUDZLAHGTCV-UHFFFAOYSA-N 0 0 555.104 3.955 50 0 KHAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)n1 ZINC000098015160 554096622 /nfs/dbraw/zinc/09/66/22/554096622.db2.gz DSGHHIACQXKZBZ-FQEVSTJZSA-N 0 0 541.649 3.883 50 0 KHAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)n1 ZINC000098015161 554096561 /nfs/dbraw/zinc/09/65/61/554096561.db2.gz DSGHHIACQXKZBZ-HXUWFJFHSA-N 0 0 541.649 3.883 50 0 KHAARN COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NC(C)C)o2)n1 ZINC000098015179 554096582 /nfs/dbraw/zinc/09/65/82/554096582.db2.gz HNODXVMGEZEEMO-UHFFFAOYSA-N 0 0 539.658 3.697 50 0 KHAARN COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000098015181 554096448 /nfs/dbraw/zinc/09/64/48/554096448.db2.gz CPKFXIBMUMCEDP-UHFFFAOYSA-N 0 0 588.690 3.884 50 0 KHAARN COCc1cc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 ZINC000098015184 554096476 /nfs/dbraw/zinc/09/64/76/554096476.db2.gz QNZUMQOGBZHAOR-UHFFFAOYSA-N 0 0 551.669 3.795 50 0 KHAARN Cc1nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015331 554098119 /nfs/dbraw/zinc/09/81/19/554098119.db2.gz CPLCHQZSYIHZQD-UHFFFAOYSA-N 0 0 564.731 3.913 50 0 KHAARN COc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3cccc(C(=O)NCCN4CCOCC4)c3)c2=O)cc1 ZINC000098015394 554098753 /nfs/dbraw/zinc/09/87/53/554098753.db2.gz JYAOAPSCNSWHSL-UHFFFAOYSA-N 0 0 571.634 3.848 50 0 KHAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3cccc(C(=O)NCCN4CCOCC4)c3)c2=O)cc1 ZINC000098015422 554099214 /nfs/dbraw/zinc/09/92/14/554099214.db2.gz NBUMIQIHXWGGLE-UHFFFAOYSA-N 0 0 569.618 3.868 50 0 KHAARN Cc1ccc(-n2ncc(Oc3ccc4c(c3)OCO4)c(Nc3ccc(C(=O)NCCN4CCOCC4)cc3)c2=O)cc1 ZINC000098015434 554099089 /nfs/dbraw/zinc/09/90/89/554099089.db2.gz VDCODGXUFASVTG-UHFFFAOYSA-N 0 0 569.618 3.868 50 0 KHAARN CCc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000098015733 554101793 /nfs/dbraw/zinc/10/17/93/554101793.db2.gz JRCPTFZFQFJIRN-UHFFFAOYSA-N 0 0 540.620 3.898 50 0 KHAARN CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)CN2c1ccccc1 ZINC000098017491 554108428 /nfs/dbraw/zinc/10/84/28/554108428.db2.gz GSNAIBWTDFAOEQ-UHFFFAOYSA-N 0 0 545.606 3.971 50 0 KHAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O)NCc1ccco1 ZINC000098017499 554108467 /nfs/dbraw/zinc/10/84/67/554108467.db2.gz RJPTYJCBNUFUID-UHFFFAOYSA-N 0 0 545.684 3.715 50 0 KHAARN Cc1cc(C)c(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)c(C)c1 ZINC000098017601 554109343 /nfs/dbraw/zinc/10/93/43/554109343.db2.gz WHJMMIBRFBMMDG-UHFFFAOYSA-N 0 0 539.698 3.757 50 0 KHAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)S(=O)(=O)c2ccc(F)cc2)o1 ZINC000098017603 554109427 /nfs/dbraw/zinc/10/94/27/554109427.db2.gz YATYQPGKIHGNLU-UHFFFAOYSA-N 0 0 543.661 3.669 50 0 KHAARN COc1cc(NC(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc(OC)c1 ZINC000098017759 554110264 /nfs/dbraw/zinc/11/02/64/554110264.db2.gz VVNMCEMKIKJDTA-UHFFFAOYSA-N 0 0 554.619 3.831 50 0 KHAARN O=C(CN(CCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017793 554110464 /nfs/dbraw/zinc/11/04/64/554110464.db2.gz RMBYQTFJOMKRAT-UHFFFAOYSA-N 0 0 590.540 3.984 50 0 KHAARN CCc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)cc1 ZINC000098017841 554110511 /nfs/dbraw/zinc/11/05/11/554110511.db2.gz CDNNQIOMKOKXIJ-UHFFFAOYSA-N 0 0 547.652 3.964 50 0 KHAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccc4c(c2)OCO4)CN3c2ccccc2)cc1 ZINC000098017854 554110801 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CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3cccc(C)c3)n2C)c(C(=O)OCC)c1C ZINC000098049491 554166628 /nfs/dbraw/zinc/16/66/28/554166628.db2.gz XDHWADMFPZUMIG-INIZCTEOSA-N 0 0 573.697 3.896 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2C)c(C(=O)OCC)c1C ZINC000098049500 554166637 /nfs/dbraw/zinc/16/66/37/554166637.db2.gz PQHBJCHFHLGIET-OAHLLOKOSA-N 0 0 589.696 3.596 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3cccc(OC)c3)n2C)c(C(=O)OCC)c1C ZINC000098049501 554166658 /nfs/dbraw/zinc/16/66/58/554166658.db2.gz PQHBJCHFHLGIET-HNNXBMFYSA-N 0 0 589.696 3.596 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)Cc3ccccc3)n2C)c(C(=O)OCC)c1C ZINC000098049508 554166600 /nfs/dbraw/zinc/16/66/00/554166600.db2.gz QKAZQOQUPFLGPF-MRXNPFEDSA-N 0 0 573.697 3.517 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)Cc3ccccc3)n2C)c(C(=O)OCC)c1C ZINC000098049509 554166687 /nfs/dbraw/zinc/16/66/87/554166687.db2.gz QKAZQOQUPFLGPF-INIZCTEOSA-N 0 0 573.697 3.517 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccc(Cl)cc3)n1C)CCC2 ZINC000098049519 554166987 /nfs/dbraw/zinc/16/69/87/554166987.db2.gz MBWRFUWNZXSIIF-UHFFFAOYSA-N 0 0 564.089 3.621 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1C)CCCC2 ZINC000098049527 554166990 /nfs/dbraw/zinc/16/69/90/554166990.db2.gz ATFLOUAQQYKCSF-MRXNPFEDSA-N 0 0 557.698 3.747 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1C)CCCC2 ZINC000098049528 554166983 /nfs/dbraw/zinc/16/69/83/554166983.db2.gz ATFLOUAQQYKCSF-INIZCTEOSA-N 0 0 557.698 3.747 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(OC)cc3)n1C)CCCC2 ZINC000098049544 554167198 /nfs/dbraw/zinc/16/71/98/554167198.db2.gz YXWYTIDGBNBMLH-OAHLLOKOSA-N 0 0 557.698 3.990 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(OC)cc3)n1C)CCCC2 ZINC000098049545 554167171 /nfs/dbraw/zinc/16/71/71/554167171.db2.gz YXWYTIDGBNBMLH-HNNXBMFYSA-N 0 0 557.698 3.990 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cc(OC)cc(OC)c3)n1C)CCCC2 ZINC000098049552 554167167 /nfs/dbraw/zinc/16/71/67/554167167.db2.gz WUKDXOSFUAWTAQ-UHFFFAOYSA-N 0 0 573.697 3.610 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3cc(OC)cc(OC)c3)n1C)CCCC2 ZINC000098049565 554167154 /nfs/dbraw/zinc/16/71/54/554167154.db2.gz JMPJGXRHDMWFGW-OAHLLOKOSA-N 0 0 587.724 3.999 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cc(OC)cc(OC)c3)n1C)CCCC2 ZINC000098049566 554167209 /nfs/dbraw/zinc/16/72/09/554167209.db2.gz JMPJGXRHDMWFGW-HNNXBMFYSA-N 0 0 587.724 3.999 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(OC)c(OC)c3)n1C)CCCC2 ZINC000098049578 554167474 /nfs/dbraw/zinc/16/74/74/554167474.db2.gz YRKOCHZNXWPCJM-OAHLLOKOSA-N 0 0 587.724 3.999 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(OC)c(OC)c3)n1C)CCCC2 ZINC000098049579 554167509 /nfs/dbraw/zinc/16/75/09/554167509.db2.gz YRKOCHZNXWPCJM-HNNXBMFYSA-N 0 0 587.724 3.999 50 0 KHAARN 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CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccc(OC)c(OC)c3)n1C)CCC2 ZINC000098049600 554167512 /nfs/dbraw/zinc/16/75/12/554167512.db2.gz GKAZINHBRYWADS-CQSZACIVSA-N 0 0 573.697 3.609 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccc(OC)c(OC)c3)n1C)CCC2 ZINC000098049601 554167504 /nfs/dbraw/zinc/16/75/04/554167504.db2.gz GKAZINHBRYWADS-AWEZNQCLSA-N 0 0 573.697 3.609 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1C)CCCC2 ZINC000098049607 554167668 /nfs/dbraw/zinc/16/76/68/554167668.db2.gz ALVGOMRHUSDLTK-MRXNPFEDSA-N 0 0 571.725 3.919 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)Cc3ccc(OC)cc3)n1C)CCCC2 ZINC000098049608 554167663 /nfs/dbraw/zinc/16/76/63/554167663.db2.gz ALVGOMRHUSDLTK-INIZCTEOSA-N 0 0 571.725 3.919 50 0 KHAARN CCOC(=O)c1sc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(C)c3)n2C)c(C(=O)OCC)c1C ZINC000098049625 554167743 /nfs/dbraw/zinc/16/77/43/554167743.db2.gz DMCZQEXSDLTFGL-UHFFFAOYSA-N 0 0 573.697 3.816 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)COc3ccccc3)n1C)CCCCC2 ZINC000098049640 554167994 /nfs/dbraw/zinc/16/79/94/554167994.db2.gz KJQBUSTZDYBCIA-UHFFFAOYSA-N 0 0 557.698 3.748 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)c(C(=O)OCC)c1C ZINC000098049644 554168040 /nfs/dbraw/zinc/16/80/40/554168040.db2.gz SPRGOYTXBDLWRV-CQSZACIVSA-N 0 0 577.660 3.727 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)c(C(=O)OCC)c1C ZINC000098049645 554168030 /nfs/dbraw/zinc/16/80/30/554168030.db2.gz SPRGOYTXBDLWRV-AWEZNQCLSA-N 0 0 577.660 3.727 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3OC)n2C)c(C(=O)OCC)c1C ZINC000098049652 554168025 /nfs/dbraw/zinc/16/80/25/554168025.db2.gz COOPXWHYBAMDNY-OAHLLOKOSA-N 0 0 589.696 3.596 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3OC)n2C)c(C(=O)OCC)c1C ZINC000098049653 554167991 /nfs/dbraw/zinc/16/79/91/554167991.db2.gz COOPXWHYBAMDNY-HNNXBMFYSA-N 0 0 589.696 3.596 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccs3)c2)CC1 ZINC000098049692 554168204 /nfs/dbraw/zinc/16/82/04/554168204.db2.gz WPJIEBJKHGPMML-IRLDBZIGSA-N 0 0 575.691 3.700 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000098049697 554168246 /nfs/dbraw/zinc/16/82/46/554168246.db2.gz ZGQKQAQAKSVXNH-RDGATRHJSA-N 0 0 599.688 3.647 50 0 KHAARN COc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000098049704 554168197 /nfs/dbraw/zinc/16/81/97/554168197.db2.gz PCZVEHRIVBNPGL-UHFFFAOYSA-N 0 0 568.696 3.555 50 0 KHAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)ccc2Br)c1 ZINC000098049713 554168582 /nfs/dbraw/zinc/16/85/82/554168582.db2.gz NLTHCYXTCOGUPV-QUCCMNQESA-N 0 0 595.494 3.872 50 0 KHAARN CCOC(=O)N1CCC(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000098049733 554168532 /nfs/dbraw/zinc/16/85/32/554168532.db2.gz ARLIDHQOTOTXOZ-UHFFFAOYSA-N 0 0 581.514 3.865 50 0 KHAARN COc1cccc(CSc2ccc(S(=O)(=O)N3CCOCC3)cc2C(=O)N2CCC(C)CC2)c1OC ZINC000098049747 554168782 /nfs/dbraw/zinc/16/87/82/554168782.db2.gz CPOXPTNQENWESA-UHFFFAOYSA-N 0 0 534.700 3.889 50 0 KHAARN CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000098049762 554168723 /nfs/dbraw/zinc/16/87/23/554168723.db2.gz WVXDNUBTBMNISR-UHFFFAOYSA-N 0 0 541.601 3.712 50 0 KHAARN COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc2F)c1 ZINC000098049765 554168698 /nfs/dbraw/zinc/16/86/98/554168698.db2.gz FGDURTWFBUOYIF-UHFFFAOYSA-N 0 0 529.590 3.615 50 0 KHAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Sc2ccc(F)cc2)cc1OC ZINC000098049788 554169078 /nfs/dbraw/zinc/16/90/78/554169078.db2.gz AMZGSSRDMLLTOG-UHFFFAOYSA-N 0 0 560.669 3.988 50 0 KHAARN CCOC(CNC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C)OCC ZINC000098049809 554169066 /nfs/dbraw/zinc/16/90/66/554169066.db2.gz LIACUFOFDDPVNS-UHFFFAOYSA-N 0 0 526.537 3.553 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)C1 ZINC000098049817 554169460 /nfs/dbraw/zinc/16/94/60/554169460.db2.gz FQCYUFJSUGJABS-OAHLLOKOSA-N 0 0 550.559 3.839 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)C1 ZINC000098049818 554169516 /nfs/dbraw/zinc/16/95/16/554169516.db2.gz FQCYUFJSUGJABS-HNNXBMFYSA-N 0 0 550.559 3.839 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2sc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3c2C)CC1 ZINC000098049819 554169529 /nfs/dbraw/zinc/16/95/29/554169529.db2.gz BBZCIBDPCDBIEW-UHFFFAOYSA-N 0 0 531.034 3.782 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3c2C)C1 ZINC000098049820 554169433 /nfs/dbraw/zinc/16/94/33/554169433.db2.gz CPCOWZUDPROIDH-MRXNPFEDSA-N 0 0 531.034 3.782 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2sc3ncn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)c3c2C)C1 ZINC000098049821 554169400 /nfs/dbraw/zinc/16/94/00/554169400.db2.gz CPCOWZUDPROIDH-INIZCTEOSA-N 0 0 531.034 3.782 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1 ZINC000098049824 554169445 /nfs/dbraw/zinc/16/94/45/554169445.db2.gz SJUXCGRIMLHMAN-UHFFFAOYSA-N 0 0 550.559 3.839 50 0 KHAARN CCOc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCN(Cc5ccccc5)CC4)c(O)c3c2)cc1 ZINC000098049828 554169501 /nfs/dbraw/zinc/16/95/01/554169501.db2.gz LRKIVVJYZZTPIK-UHFFFAOYSA-N 0 0 560.676 3.710 50 0 KHAARN O=C(Cn1c2ccsc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O)Nc1ccc(F)cc1 ZINC000098050175 554172607 /nfs/dbraw/zinc/17/26/07/554172607.db2.gz FHJRPTHGKLFHCT-UHFFFAOYSA-N 0 0 532.553 3.574 50 0 KHAARN O=C(NCCCN1CCCC1=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000098050176 554172592 /nfs/dbraw/zinc/17/25/92/554172592.db2.gz WHJDXFMMRMHFKF-UHFFFAOYSA-N 0 0 535.597 3.561 50 0 KHAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000098050186 554172982 /nfs/dbraw/zinc/17/29/82/554172982.db2.gz ZGYXMWNACDPRDM-UHFFFAOYSA-N 0 0 532.644 3.999 50 0 KHAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000098050187 554172966 /nfs/dbraw/zinc/17/29/66/554172966.db2.gz VXIUWOBQPSRJJD-UHFFFAOYSA-N 0 0 530.628 3.769 50 0 KHAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000098050194 554172971 /nfs/dbraw/zinc/17/29/71/554172971.db2.gz FJRVRTWCNNEUSD-UHFFFAOYSA-N 0 0 534.704 3.542 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)n2)c1 ZINC000098050211 554173326 /nfs/dbraw/zinc/17/33/26/554173326.db2.gz MPUBXCMJCCUYIF-UHFFFAOYSA-N 0 0 587.724 3.647 50 0 KHAARN CCCCN(C(=O)c1cc(Br)c(Br)s1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000098050271 554173316 /nfs/dbraw/zinc/17/33/16/554173316.db2.gz PVVSGQZGTXNNQN-UHFFFAOYSA-N 0 0 522.263 3.952 50 0 KHAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000098050444 554174643 /nfs/dbraw/zinc/17/46/43/554174643.db2.gz XRGLCBWSVWNIQP-UHFFFAOYSA-N 0 0 634.780 3.779 50 0 KHAARN C=CC(=O)N1c2c(OC)cccc2C2=C(SC(C(=O)OC)=C(C(=O)OC)C23SC(C(=O)OC)=C(C(=O)OC)S3)C1(C)C ZINC000098050449 554174737 /nfs/dbraw/zinc/17/47/37/554174737.db2.gz WWGAURIVDFICBX-UHFFFAOYSA-N 0 0 633.722 3.798 50 0 KHAARN O=S(=O)(c1cccc2c1cccc2S(=O)(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000098050504 554174942 /nfs/dbraw/zinc/17/49/42/554174942.db2.gz GFWJPJIMDOCGDP-UHFFFAOYSA-N 0 0 604.798 3.853 50 0 KHAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000098050532 554175151 /nfs/dbraw/zinc/17/51/51/554175151.db2.gz HWPZADDECUISCD-UHFFFAOYSA-N 0 0 535.048 3.985 50 0 KHAARN Cc1c(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)sc2nc(CN3CCOCC3)[nH]c(=O)c12 ZINC000098050567 554175509 /nfs/dbraw/zinc/17/55/09/554175509.db2.gz DGVGAGGIYGIWED-UHFFFAOYSA-N 0 0 579.673 3.951 50 0 KHAARN COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1 ZINC000098052686 554176023 /nfs/dbraw/zinc/17/60/23/554176023.db2.gz CLGWUCNXOBLWFM-UHFFFAOYSA-N 0 0 505.000 3.834 50 0 in-vitro KHAARN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCN(C(C)=O)CC3)cc2OC)n1 ZINC000098052704 554176324 /nfs/dbraw/zinc/17/63/24/554176324.db2.gz TXDIRJCYNAWBOS-UHFFFAOYSA-N 0 0 609.131 3.971 50 0 in-vitro KHAARN CCOc1cc(/C=C\C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1OCC(C)C ZINC000098054093 1066843126 /nfs/dbraw/zinc/84/31/26/1066843126.db2.gz DBMQXQMVHQLVDN-LUAWRHEFSA-N 0 0 505.637 3.661 50 0 KHAARN COc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3)CC2=O)cc1 ZINC000098210973 554177061 /nfs/dbraw/zinc/17/70/61/554177061.db2.gz UQSDTYSOLXMRQE-HSZRJFAPSA-N 0 0 512.610 3.958 50 0 KHAARN COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3)CC2=O)cc1 ZINC000098210974 554177113 /nfs/dbraw/zinc/17/71/13/554177113.db2.gz UQSDTYSOLXMRQE-QHCPKHFHSA-N 0 0 512.610 3.958 50 0 KHAARN Cc1cnc2c(c1)c(I)c(I)n2S(=O)(=O)c1ccccc1 ZINC000100002420 554177499 /nfs/dbraw/zinc/17/74/99/554177499.db2.gz FKLZTMYXHYDXTK-UHFFFAOYSA-N 0 0 524.121 3.791 50 0 KHAARN O=S(=O)(c1cccc(Br)c1)N1CCCN(S(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000100006636 554178562 /nfs/dbraw/zinc/17/85/62/554178562.db2.gz XUBSPPCOKWQFGT-UHFFFAOYSA-N 0 0 552.310 3.687 50 0 KHAARN Fc1c(I)c(F)c(I)c(F)c1I ZINC000100013244 554181036 /nfs/dbraw/zinc/18/10/36/554181036.db2.gz NTAZOPPTLZSXQH-UHFFFAOYSA-N 0 0 509.772 3.918 50 0 KHAARN O=C(N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000100014083 554181319 /nfs/dbraw/zinc/18/13/19/554181319.db2.gz BWJDOHAQVMSNMG-GOTSBHOMSA-N 0 0 563.573 3.865 50 0 KHAARN COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000100014909 554181252 /nfs/dbraw/zinc/18/12/52/554181252.db2.gz XZXHXSATPCNXJR-ZIADKAODSA-N 0 0 539.636 3.616 50 0 fda KHAARN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc(I)c1 ZINC000100018340 554181594 /nfs/dbraw/zinc/18/15/94/554181594.db2.gz QFZKHMKRTIZYJT-UHFFFAOYSA-N 0 0 560.417 3.973 50 0 KHAARN O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccc(C(=O)NCc3ccco3)cc21)Nc1ccc(F)cc1F ZINC000100019872 554181952 /nfs/dbraw/zinc/18/19/52/554181952.db2.gz QUYPRMRXWQRZAJ-UHFFFAOYSA-N 0 0 530.487 3.592 50 0 KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100035683 554189055 /nfs/dbraw/zinc/18/90/55/554189055.db2.gz FHZQVUQHQIUSPM-PKZQBKLLSA-N 0 0 571.630 3.876 50 0 KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100035691 554189018 /nfs/dbraw/zinc/18/90/18/554189018.db2.gz FINUHOJILDNELQ-PMFUCWTESA-N 0 0 601.656 3.501 50 0 KHAARN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100035700 554189339 /nfs/dbraw/zinc/18/93/39/554189339.db2.gz JIFNUYITABZZQS-PYYPWFDZSA-N 0 0 589.620 3.824 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccc2c(c1)OCO2 ZINC000100036821 554191235 /nfs/dbraw/zinc/19/12/35/554191235.db2.gz OTUIPBQNRDOWNS-UHFFFAOYSA-N 0 0 523.948 3.829 50 0 KHAARN CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000100037515 554191523 /nfs/dbraw/zinc/19/15/23/554191523.db2.gz AHHPZGUFLGCZCF-QHCPKHFHSA-N 0 0 538.984 3.604 50 0 in-vitro KHAARN CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000100037521 554191521 /nfs/dbraw/zinc/19/15/21/554191521.db2.gz AHHPZGUFLGCZCF-HSZRJFAPSA-N 0 0 538.984 3.604 50 0 in-vitro KHAARN CCOC(=O)C(CCCC(OC(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)(OC(=O)c1ccccc1)C(=O)OCC ZINC000100048280 554194135 /nfs/dbraw/zinc/19/41/35/554194135.db2.gz PGJJCUPZDYFKIE-UHFFFAOYSA-N 0 0 600.617 3.601 50 0 KHAARN COc1c(I)cc(I)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000100055078 554195850 /nfs/dbraw/zinc/19/58/50/554195850.db2.gz OEUDRJQZPBNOCN-AUWJEWJLSA-N 0 0 560.154 3.675 50 0 KHAARN O=C1C[C@@H](N2CCN([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100058834 554197579 /nfs/dbraw/zinc/19/75/79/554197579.db2.gz JUHLTSMFMMAKOI-BGYRXZFFSA-N 0 0 570.260 3.882 50 0 KHAARN O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000100058840 554197598 /nfs/dbraw/zinc/19/75/98/554197598.db2.gz JUHLTSMFMMAKOI-WOJBJXKFSA-N 0 0 570.260 3.882 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1 ZINC000100065764 554199855 /nfs/dbraw/zinc/19/98/55/554199855.db2.gz RIGHPBPNNWGZQJ-FNUHDPNESA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1 ZINC000100065767 554199815 /nfs/dbraw/zinc/19/98/15/554199815.db2.gz RIGHPBPNNWGZQJ-PZDOZLBDSA-N 0 0 543.439 3.578 50 0 KHAARN CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4Br)C3=O)CC2)cc1 ZINC000100075145 554203850 /nfs/dbraw/zinc/20/38/50/554203850.db2.gz WUAMJNQCEHZQMR-HXUWFJFHSA-N 0 0 535.236 3.868 50 0 KHAARN CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000100076432 554204459 /nfs/dbraw/zinc/20/44/59/554204459.db2.gz YSYINGULRGFPKE-SVBPBHIXSA-N 0 0 557.647 3.838 50 0 KHAARN O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 ZINC000100097535 554218974 /nfs/dbraw/zinc/21/89/74/554218974.db2.gz PGVBMGZPWFZWMB-JMIUGGIZSA-N 0 0 549.333 3.746 50 0 KHAARN C[C@@H]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc21 ZINC000100115717 554223191 /nfs/dbraw/zinc/22/31/91/554223191.db2.gz XPVGIQNHDBGTRC-GOSISDBHSA-N 0 0 565.582 3.803 50 0 KHAARN C[C@H]1CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc21 ZINC000100115719 554223258 /nfs/dbraw/zinc/22/32/58/554223258.db2.gz XPVGIQNHDBGTRC-SFHVURJKSA-N 0 0 565.582 3.803 50 0 KHAARN COc1ccc2nc(S[C@@H]3CC(=O)N(c4ccccc4I)C3=O)nc(C)c2c1 ZINC000100115790 554223540 /nfs/dbraw/zinc/22/35/40/554223540.db2.gz FJJVZEVTHQTKBJ-QGZVFWFLSA-N 0 0 505.337 3.976 50 0 KHAARN COc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc(I)c1OC(C)=O ZINC000100164347 554235803 /nfs/dbraw/zinc/23/58/03/554235803.db2.gz VGLPKRLNBRKXQU-RQZCQDPDSA-N 0 0 520.279 3.528 50 0 KHAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100164663 554235816 /nfs/dbraw/zinc/23/58/16/554235816.db2.gz WIUYFMVPBXWLAG-WTRDRNLISA-N 0 0 556.622 3.769 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000100167019 554237089 /nfs/dbraw/zinc/23/70/89/554237089.db2.gz HFTYQDURCLJRIH-HSZRJFAPSA-N 0 0 545.548 3.967 50 0 KHAARN COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000100167030 554237064 /nfs/dbraw/zinc/23/70/64/554237064.db2.gz KVVAELHQXZUBKN-JOCHJYFZSA-N 0 0 503.511 3.799 50 0 KHAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5ccc(F)cc5)cc4)CC3)C2=O)c1 ZINC000100172577 554239026 /nfs/dbraw/zinc/23/90/26/554239026.db2.gz DFIILJKWLOWXBI-SANMLTNESA-N 0 0 501.558 3.910 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(=O)c5cccs5)cc4)CC3)C2=O)cc1 ZINC000100176627 554240569 /nfs/dbraw/zinc/24/05/69/554240569.db2.gz JCDYJRVXFXOPEV-HSZRJFAPSA-N 0 0 517.607 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KHAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000100209754 554248633 /nfs/dbraw/zinc/24/86/33/554248633.db2.gz AZEGDOUPYCRDCM-UHFFFAOYSA-N 0 0 558.498 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100212300 554249231 /nfs/dbraw/zinc/24/92/31/554249231.db2.gz XKVKTIYQAKMDRE-XOYGFPHKSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100212304 554249254 /nfs/dbraw/zinc/24/92/54/554249254.db2.gz XKVKTIYQAKMDRE-YJADQXIJSA-N 0 0 534.615 3.906 50 0 KHAARN O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100219800 554251520 /nfs/dbraw/zinc/25/15/20/554251520.db2.gz ZXKHILZWXRNEQF-UHFFFAOYSA-N 0 0 583.610 3.560 50 0 KHAARN COc1cc(OC)c(C(=O)Nc2ccc3c(c2)oc2ccc(S(=O)(=O)N4CCOCC4)cc23)cc1OC ZINC000100224526 554252646 /nfs/dbraw/zinc/25/26/46/554252646.db2.gz MNFCYWPBUXTHQO-UHFFFAOYSA-N 0 0 526.567 3.885 50 0 KHAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000100250431 554262392 /nfs/dbraw/zinc/26/23/92/554262392.db2.gz GJMOEGQPMVDTAN-UHFFFAOYSA-N 0 0 542.499 3.984 50 0 KHAARN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000100250667 554262354 /nfs/dbraw/zinc/26/23/54/554262354.db2.gz IVPWWFHOTANUBG-UHFFFAOYSA-N 0 0 528.472 3.989 50 0 KHAARN COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000100250672 554262384 /nfs/dbraw/zinc/26/23/84/554262384.db2.gz HRSHROSDDXIGIO-UHFFFAOYSA-N 0 0 558.498 3.997 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@H]2c1cc(OC)c2c(c1OC)OCO2 ZINC000100251122 554262651 /nfs/dbraw/zinc/26/26/51/554262651.db2.gz PBLFYYNPVUCEQE-HNNXBMFYSA-N 0 0 532.958 3.682 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@@H]2c1cc(OC)c2c(c1OC)OCO2 ZINC000100251123 554262641 /nfs/dbraw/zinc/26/26/41/554262641.db2.gz PBLFYYNPVUCEQE-OAHLLOKOSA-N 0 0 532.958 3.682 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@H]2c1cc2c(c(OC)c1OC)OCO2 ZINC000100251125 554262662 /nfs/dbraw/zinc/26/26/62/554262662.db2.gz QDNMGRGIDNMLKJ-HNNXBMFYSA-N 0 0 532.958 3.682 50 0 KHAARN COC(=O)Cn1c(=O)sc2c1N(c1cccc(Cl)c1)C(=O)C[C@@H]2c1cc2c(c(OC)c1OC)OCO2 ZINC000100251128 554262612 /nfs/dbraw/zinc/26/26/12/554262612.db2.gz QDNMGRGIDNMLKJ-OAHLLOKOSA-N 0 0 532.958 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100270929 554269711 /nfs/dbraw/zinc/26/97/11/554269711.db2.gz SBBZIDLIOSRRPD-QTTRZTASSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100270930 554269657 /nfs/dbraw/zinc/26/96/57/554269657.db2.gz SBBZIDLIOSRRPD-QPJBPQEWSA-N 0 0 588.638 3.862 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(I)c1O ZINC000100275487 554271895 /nfs/dbraw/zinc/27/18/95/554271895.db2.gz BGWOOZOIMHVVQU-CXUHLZMHSA-N 0 0 524.336 3.989 50 0 KHAARN C[C@@H]1CN(C(=O)c2ccc(I)cc2)CCN1C(=O)c1ccc(I)cc1 ZINC000100282678 554277024 /nfs/dbraw/zinc/27/70/24/554277024.db2.gz JLIBGNUTTOVMOI-CYBMUJFWSA-N 0 0 560.173 3.883 50 0 KHAARN C[C@H]1CN(C(=O)c2ccc(I)cc2)CCN1C(=O)c1ccc(I)cc1 ZINC000100282681 554276996 /nfs/dbraw/zinc/27/69/96/554276996.db2.gz JLIBGNUTTOVMOI-ZDUSSCGKSA-N 0 0 560.173 3.883 50 0 KHAARN COc1ccccc1OCCNS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)NCCOc1ccccc1OC ZINC000100283109 554277300 /nfs/dbraw/zinc/27/73/00/554277300.db2.gz DBHIOJBLRLRBCD-UHFFFAOYSA-N 0 0 586.688 3.572 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100303068 554291938 /nfs/dbraw/zinc/29/19/38/554291938.db2.gz NDDCWVBCVPCHKE-OWXSRONMSA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100303071 554291960 /nfs/dbraw/zinc/29/19/60/554291960.db2.gz NDDCWVBCVPCHKE-ZMIGGIFCSA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100304235 554292752 /nfs/dbraw/zinc/29/27/52/554292752.db2.gz XQJDCKIZFYCDFX-LMSRTUJASA-N 0 0 552.649 3.613 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100304241 554292676 /nfs/dbraw/zinc/29/26/76/554292676.db2.gz XQJDCKIZFYCDFX-RISWYLRJSA-N 0 0 552.649 3.613 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100304789 554293056 /nfs/dbraw/zinc/29/30/56/554293056.db2.gz MHXHIHIOFQFPEF-OWXSRONMSA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000100304793 554293149 /nfs/dbraw/zinc/29/31/49/554293149.db2.gz MHXHIHIOFQFPEF-ZMIGGIFCSA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100306020 554294342 /nfs/dbraw/zinc/29/43/42/554294342.db2.gz FTLDHAZMOISBGM-ZKZBLMLZSA-N 0 0 528.561 3.803 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100306023 554294354 /nfs/dbraw/zinc/29/43/54/554294354.db2.gz FTLDHAZMOISBGM-QTQKINJDSA-N 0 0 528.561 3.803 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000100316891 554303266 /nfs/dbraw/zinc/30/32/66/554303266.db2.gz MGQMNAPMGMNWNU-UHFFFAOYSA-N 0 0 537.476 3.750 50 0 KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cc(=O)c2c(O)c(-c3ccc4c(c3)OCCO4)coc-2c1 ZINC000100329060 1066190253 /nfs/dbraw/zinc/19/02/53/1066190253.db2.gz VUOFIHCZMOIBFY-QHCPKHFHSA-N 0 0 570.554 3.697 50 0 KHAARN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc(I)c1O ZINC000100341329 554325773 /nfs/dbraw/zinc/32/57/73/554325773.db2.gz NLAPHYKJJMIHDL-XDHOZWIPSA-N 0 0 595.415 3.517 50 0 KHAARN O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000100342442 554327545 /nfs/dbraw/zinc/32/75/45/554327545.db2.gz TWGPMGLYVYONMW-UHFFFAOYSA-N 0 0 528.472 3.661 50 0 KHAARN O=c1c(Br)c(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cnn1-c1ccccc1 ZINC000100383745 554364292 /nfs/dbraw/zinc/36/42/92/554364292.db2.gz NRIZEEVFLPOHKQ-UHFFFAOYSA-N 0 0 525.428 3.659 50 0 KHAARN Cc1ccc(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000100390177 554366158 /nfs/dbraw/zinc/36/61/58/554366158.db2.gz PUCSZGFXWLDYRB-UHFFFAOYSA-N 0 0 568.783 3.977 50 0 KHAARN COc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000100406878 554373882 /nfs/dbraw/zinc/37/38/82/554373882.db2.gz WAOUOKMCQXKNPY-UHFFFAOYSA-N 0 0 536.391 3.812 50 0 KHAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000100406919 554373861 /nfs/dbraw/zinc/37/38/61/554373861.db2.gz KIHDBRQQJGADOL-UHFFFAOYSA-N 0 0 540.406 3.577 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1OC ZINC000100407088 554373832 /nfs/dbraw/zinc/37/38/32/554373832.db2.gz DLCKILCMMMFLNA-UHFFFAOYSA-N 0 0 531.581 3.526 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cccc(Cl)c2)cc1 ZINC000100407660 554374135 /nfs/dbraw/zinc/37/41/35/554374135.db2.gz IJXIJURTUPBHCP-UHFFFAOYSA-N 0 0 544.029 3.655 50 0 KHAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1sc2ccccc2c1Cl ZINC000100464567 554397684 /nfs/dbraw/zinc/39/76/84/554397684.db2.gz PFUIZHAZQWAOBU-ATJXCDBQSA-N 0 0 510.018 3.523 50 0 KHAARN ClC(Cl)(c1nnnn1-c1ccc(Br)cc1)c1nnnn1-c1ccc(Br)cc1 ZINC000100484808 1066191765 /nfs/dbraw/zinc/19/17/65/1066191765.db2.gz QNXONRKVSDUKHO-UHFFFAOYSA-N 0 0 530.999 3.842 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)Cc2cc(OC)cc(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000100486125 554402352 /nfs/dbraw/zinc/40/23/52/554402352.db2.gz AFVJXOUTQSAXME-LJQANCHMSA-N 0 0 534.849 3.832 50 0 KHAARN COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)Cc2cc(OC)cc(OC)c2)C(Cl)(Cl)Cl)cc1 ZINC000100486128 554402383 /nfs/dbraw/zinc/40/23/83/554402383.db2.gz AFVJXOUTQSAXME-IBGZPJMESA-N 0 0 534.849 3.832 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000100495980 554404385 /nfs/dbraw/zinc/40/43/85/554404385.db2.gz MNGFCVGYSDISTA-UHFFFAOYSA-N 0 0 579.675 3.550 50 0 KHAARN Cc1cc2nc3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n3c2cc1C ZINC000100529301 554410430 /nfs/dbraw/zinc/41/04/30/554410430.db2.gz BQDWRIYNRWFQHX-UUASQNMZSA-N 0 0 574.181 3.989 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100534001 554411474 /nfs/dbraw/zinc/41/14/74/554411474.db2.gz TVFVXDQDJPAPFP-ZMUHTPIZSA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000100534010 554411478 /nfs/dbraw/zinc/41/14/78/554411478.db2.gz TVFVXDQDJPAPFP-OLROSQPISA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000100536036 554412496 /nfs/dbraw/zinc/41/24/96/554412496.db2.gz AIXHWPLLBBKJBU-VLOXRPPESA-N 0 0 604.466 3.729 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000100536041 554412433 /nfs/dbraw/zinc/41/24/33/554412433.db2.gz AIXHWPLLBBKJBU-WLJFKGHSSA-N 0 0 604.466 3.729 50 0 KHAARN O=C(CS[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100552140 554415033 /nfs/dbraw/zinc/41/50/33/554415033.db2.gz GTJOJUDIMDLHON-HNNXBMFYSA-N 0 0 500.745 3.948 50 0 KHAARN Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)c4ccccc4N23)c1C ZINC000100558135 554417278 /nfs/dbraw/zinc/41/72/78/554417278.db2.gz XDONJRGQAKVAGM-UHFFFAOYSA-N 0 0 547.637 3.847 50 0 KHAARN COc1ccc(N2C(=O)C[C@H](N(CCc3ccc(OC)c(OC)c3)C(=O)c3cccc(F)c3)C2=O)cc1 ZINC000100570697 554421888 /nfs/dbraw/zinc/42/18/88/554421888.db2.gz KRINNTOFCWJBRL-QHCPKHFHSA-N 0 0 506.530 3.869 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccc(C)cc2)cc1OC ZINC000100584494 554426128 /nfs/dbraw/zinc/42/61/28/554426128.db2.gz QDOINEUQWBUKEW-UHFFFAOYSA-N 0 0 539.654 3.565 50 0 KHAARN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)ccc1O ZINC000100584962 554426381 /nfs/dbraw/zinc/42/63/81/554426381.db2.gz UBCBUPVTRIWICX-ZMSDIMECSA-N 0 0 519.398 3.709 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000100590702 554428215 /nfs/dbraw/zinc/42/82/15/554428215.db2.gz AUXQDIHWJMYBOB-UXAZKMGBSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000100590705 554428139 /nfs/dbraw/zinc/42/81/39/554428139.db2.gz AUXQDIHWJMYBOB-HCWVEKLQSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590819 554428556 /nfs/dbraw/zinc/42/85/56/554428556.db2.gz DEELYVKJCZSRKJ-LKWZWFHSSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590822 554428531 /nfs/dbraw/zinc/42/85/31/554428531.db2.gz DEELYVKJCZSRKJ-KLKBWYFJSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590825 554428610 /nfs/dbraw/zinc/42/86/10/554428610.db2.gz BZORGTOTLBFBEC-FSFYKJEYSA-N 0 0 574.655 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590830 554428605 /nfs/dbraw/zinc/42/86/05/554428605.db2.gz BZORGTOTLBFBEC-ZUCAMLDZSA-N 0 0 574.655 3.986 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590834 554428550 /nfs/dbraw/zinc/42/85/50/554428550.db2.gz GAJAKHUZZMWAIO-ARLGEPFESA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccc(OC)cc21 ZINC000100590839 554428595 /nfs/dbraw/zinc/42/85/95/554428595.db2.gz GAJAKHUZZMWAIO-SCRHHBKZSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000100594286 554429779 /nfs/dbraw/zinc/42/97/79/554429779.db2.gz VVLSSMDATQEAIE-OXRZLYTFSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC)cc3Br)c(=O)n2[C@H]1c1ccccc1OC ZINC000100595976 554430105 /nfs/dbraw/zinc/43/01/05/554430105.db2.gz SSFFIXBEMWROIQ-JGTYQCAFSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100596514 554430005 /nfs/dbraw/zinc/43/00/05/554430005.db2.gz FRPQUUYXULHXTP-OFCKJYIJSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100598600 554430927 /nfs/dbraw/zinc/43/09/27/554430927.db2.gz LDZHCVPIOAAMKX-LYRGBEMXSA-N 0 0 601.475 3.503 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100598603 554431006 /nfs/dbraw/zinc/43/10/06/554431006.db2.gz LDZHCVPIOAAMKX-JGTYQCAFSA-N 0 0 601.475 3.503 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000100604132 554432067 /nfs/dbraw/zinc/43/20/67/554432067.db2.gz KEHVMHAZNUPKBA-SUAMDDGLSA-N 0 0 576.671 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000100604136 554432134 /nfs/dbraw/zinc/43/21/34/554432134.db2.gz KEHVMHAZNUPKBA-MFCBUNOESA-N 0 0 576.671 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100617733 554433025 /nfs/dbraw/zinc/43/30/25/554433025.db2.gz WYZVFVVVYLCBRU-BYHQVZLYSA-N 0 0 563.857 3.928 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100617735 554433012 /nfs/dbraw/zinc/43/30/12/554433012.db2.gz WYZVFVVVYLCBRU-LYFUXTGPSA-N 0 0 563.857 3.928 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000100618192 554433338 /nfs/dbraw/zinc/43/33/38/554433338.db2.gz HTHJNQGWFRXMGI-JZVSFUAJSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000100618193 554433359 /nfs/dbraw/zinc/43/33/59/554433359.db2.gz HTHJNQGWFRXMGI-JYWRCUDFSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000100618240 554433510 /nfs/dbraw/zinc/43/35/10/554433510.db2.gz CMQCYPWLAYCXQM-FNGUVFISSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100618241 554433499 /nfs/dbraw/zinc/43/34/99/554433499.db2.gz CMQCYPWLAYCXQM-CNSVBDKNSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100618472 554433488 /nfs/dbraw/zinc/43/34/88/554433488.db2.gz IHMDSRGOJALJAZ-VLOXRPPESA-N 0 0 527.440 3.878 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100618474 554433492 /nfs/dbraw/zinc/43/34/92/554433492.db2.gz IHMDSRGOJALJAZ-WLJFKGHSSA-N 0 0 527.440 3.878 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000100618514 554433523 /nfs/dbraw/zinc/43/35/23/554433523.db2.gz YUXSOOZNCQNJEV-ARLGEPFESA-N 0 0 528.586 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100618638 554433833 /nfs/dbraw/zinc/43/38/33/554433833.db2.gz MYZQLTVIUIPLSE-VLOXRPPESA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100618654 554433848 /nfs/dbraw/zinc/43/38/48/554433848.db2.gz ZFEPFRVKDRJZJU-WLJFKGHSSA-N 0 0 620.465 3.516 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100618659 554433858 /nfs/dbraw/zinc/43/38/58/554433858.db2.gz ZFEPFRVKDRJZJU-VLOXRPPESA-N 0 0 620.465 3.516 50 0 KHAARN O=C(CN1CCCC1)Nc1c(I)cc(I)cc1I ZINC000100623286 554434718 /nfs/dbraw/zinc/43/47/18/554434718.db2.gz UGYNNZFCAWRKHM-UHFFFAOYSA-N 0 0 581.961 3.535 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000100626387 554434866 /nfs/dbraw/zinc/43/48/66/554434866.db2.gz FUYUHQMUTALUKJ-IADCTJSHSA-N 0 0 559.623 3.527 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000100626388 554434996 /nfs/dbraw/zinc/43/49/96/554434996.db2.gz FUYUHQMUTALUKJ-MUAVYFROSA-N 0 0 559.623 3.527 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000100626389 554434911 /nfs/dbraw/zinc/43/49/11/554434911.db2.gz FUYUHQMUTALUKJ-BTYSJIOQSA-N 0 0 559.623 3.527 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)cc1 ZINC000100626391 554434901 /nfs/dbraw/zinc/43/49/01/554434901.db2.gz FUYUHQMUTALUKJ-RNWIMVQKSA-N 0 0 559.623 3.527 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100626392 554434952 /nfs/dbraw/zinc/43/49/52/554434952.db2.gz JTFSFMUAOWGALF-CUBQBAPOSA-N 0 0 531.588 3.644 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100626393 554434991 /nfs/dbraw/zinc/43/49/91/554434991.db2.gz JTFSFMUAOWGALF-RBJSKKJNSA-N 0 0 531.588 3.644 50 0 KHAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100626395 554434941 /nfs/dbraw/zinc/43/49/41/554434941.db2.gz JTFSFMUAOWGALF-YWEHKCAJSA-N 0 0 531.588 3.644 50 0 KHAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100626396 554434983 /nfs/dbraw/zinc/43/49/83/554434983.db2.gz JTFSFMUAOWGALF-UFHPHHKVSA-N 0 0 531.588 3.644 50 0 KHAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000100626425 554434894 /nfs/dbraw/zinc/43/48/94/554434894.db2.gz NQHVEKJRSNLPSS-IADCTJSHSA-N 0 0 543.624 3.827 50 0 KHAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000100626426 554434970 /nfs/dbraw/zinc/43/49/70/554434970.db2.gz NQHVEKJRSNLPSS-MUAVYFROSA-N 0 0 543.624 3.827 50 0 KHAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000100626427 554434917 /nfs/dbraw/zinc/43/49/17/554434917.db2.gz NQHVEKJRSNLPSS-BTYSJIOQSA-N 0 0 543.624 3.827 50 0 KHAARN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1OC ZINC000100626428 554434999 /nfs/dbraw/zinc/43/49/99/554434999.db2.gz NQHVEKJRSNLPSS-RNWIMVQKSA-N 0 0 543.624 3.827 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100626433 554434935 /nfs/dbraw/zinc/43/49/35/554434935.db2.gz JAFMUIBZDIRNAZ-IADCTJSHSA-N 0 0 573.650 3.522 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100626434 554434963 /nfs/dbraw/zinc/43/49/63/554434963.db2.gz JAFMUIBZDIRNAZ-MUAVYFROSA-N 0 0 573.650 3.522 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100626436 554434905 /nfs/dbraw/zinc/43/49/05/554434905.db2.gz JAFMUIBZDIRNAZ-BTYSJIOQSA-N 0 0 573.650 3.522 50 0 KHAARN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100626437 554434882 /nfs/dbraw/zinc/43/48/82/554434882.db2.gz JAFMUIBZDIRNAZ-RNWIMVQKSA-N 0 0 573.650 3.522 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000100626438 554435280 /nfs/dbraw/zinc/43/52/80/554435280.db2.gz CMARPMHSJHWPSW-IADCTJSHSA-N 0 0 559.623 3.527 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000100626439 554435266 /nfs/dbraw/zinc/43/52/66/554435266.db2.gz CMARPMHSJHWPSW-MUAVYFROSA-N 0 0 559.623 3.527 50 0 KHAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000100626440 554435274 /nfs/dbraw/zinc/43/52/74/554435274.db2.gz CMARPMHSJHWPSW-BTYSJIOQSA-N 0 0 559.623 3.527 50 0 KHAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)c1 ZINC000100626441 554435278 /nfs/dbraw/zinc/43/52/78/554435278.db2.gz CMARPMHSJHWPSW-RNWIMVQKSA-N 0 0 559.623 3.527 50 0 KHAARN O=S(=O)(c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000100641374 554436056 /nfs/dbraw/zinc/43/60/56/554436056.db2.gz KYWGXIIBLGGJHU-UHFFFAOYSA-N 0 0 540.729 3.649 50 0 KHAARN CCOc1cc(/C=C2\SC(=N)NC2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000100648472 554436914 /nfs/dbraw/zinc/43/69/14/554436914.db2.gz PPLYAWCYHPKGHS-GDNBJRDFSA-N 0 0 530.365 3.596 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100654850 554437614 /nfs/dbraw/zinc/43/76/14/554437614.db2.gz ZARVDHDZNSYSNY-GTENMVSRSA-N 0 0 550.862 3.873 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100654852 554437599 /nfs/dbraw/zinc/43/75/99/554437599.db2.gz ZARVDHDZNSYSNY-OXRZLYTFSA-N 0 0 550.862 3.873 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100654861 554437641 /nfs/dbraw/zinc/43/76/41/554437641.db2.gz KTSSYNVLOKQUKB-XETPBLJFSA-N 0 0 558.273 3.978 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100654863 554437675 /nfs/dbraw/zinc/43/76/75/554437675.db2.gz KTSSYNVLOKQUKB-NRUITVPNSA-N 0 0 558.273 3.978 50 0 KHAARN CCOC(=O)c1[n-]c(C(=O)CCC(=O)c2[n-]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C ZINC000100661287 554438861 /nfs/dbraw/zinc/43/88/61/554438861.db2.gz OEGWXTGGOBTXPN-UHFFFAOYSA-N 0 0 532.546 3.512 50 0 KHAARN CC(=O)O[C@@H]1C[C@H](OC(C)=O)c2c1c1c(c3c2[C@H](OC(C)=O)C[C@@H]3OC(C)=O)[C@@H](OC(C)=O)C[C@H]1OC(C)=O ZINC000100661300 554438854 /nfs/dbraw/zinc/43/88/54/554438854.db2.gz QYAOOPLKUHJCBE-RCPZPFRWSA-N 0 0 546.525 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100661904 554439070 /nfs/dbraw/zinc/43/90/70/554439070.db2.gz SKHSORVHGNHLNL-MFUBYVTQSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100661907 554439077 /nfs/dbraw/zinc/43/90/77/554439077.db2.gz SKHSORVHGNHLNL-RWTNITNYSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1OC ZINC000100661915 554439150 /nfs/dbraw/zinc/43/91/50/554439150.db2.gz HGATVBOBFRRMAR-MFUBYVTQSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100661918 554439065 /nfs/dbraw/zinc/43/90/65/554439065.db2.gz HGATVBOBFRRMAR-RWTNITNYSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1 ZINC000100661934 554439085 /nfs/dbraw/zinc/43/90/85/554439085.db2.gz LXDAVPATWCRQBG-VZIOXZNFSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1 ZINC000100661936 554439398 /nfs/dbraw/zinc/43/93/98/554439398.db2.gz LXDAVPATWCRQBG-QCHPHUCNSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100661953 554439464 /nfs/dbraw/zinc/43/94/64/554439464.db2.gz VZYGDSYFMSRKIQ-MFUBYVTQSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100661958 554439443 /nfs/dbraw/zinc/43/94/43/554439443.db2.gz VZYGDSYFMSRKIQ-RWTNITNYSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000100661993 554439455 /nfs/dbraw/zinc/43/94/55/554439455.db2.gz XGNFLZCMVHZLBX-RISWYLRJSA-N 0 0 552.649 3.613 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000100661997 554439459 /nfs/dbraw/zinc/43/94/59/554439459.db2.gz XGNFLZCMVHZLBX-LMSRTUJASA-N 0 0 552.649 3.613 50 0 KHAARN C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=c3\sc4nc(=O)c(-c5ccccc5)nn4c3=O)ccc2O1 ZINC000100678230 554444937 /nfs/dbraw/zinc/44/49/37/554444937.db2.gz WVVMZMJTEBBBFY-SAHIIKMKSA-N 0 0 531.597 3.902 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683493 554448336 /nfs/dbraw/zinc/44/83/36/554448336.db2.gz AQOQVUIEBGJQQR-SJJVXOANSA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683496 554448378 /nfs/dbraw/zinc/44/83/78/554448378.db2.gz AQOQVUIEBGJQQR-GTWFGUSFSA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683506 554448365 /nfs/dbraw/zinc/44/83/65/554448365.db2.gz AQGVYFUTENMVJM-KYRGTEIWSA-N 0 0 594.686 3.536 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683511 554448410 /nfs/dbraw/zinc/44/84/10/554448410.db2.gz AQGVYFUTENMVJM-NKYAOSOXSA-N 0 0 594.686 3.536 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683683 554448632 /nfs/dbraw/zinc/44/86/32/554448632.db2.gz UCWPJIWGGRAPAG-BIWBSIMWSA-N 0 0 564.660 3.910 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683687 554448649 /nfs/dbraw/zinc/44/86/49/554448649.db2.gz UCWPJIWGGRAPAG-ZGOFBEGVSA-N 0 0 564.660 3.910 50 0 KHAARN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)c1 ZINC000100683710 554448729 /nfs/dbraw/zinc/44/87/29/554448729.db2.gz XYFWWCXRYWCPOR-QFDNUGPTSA-N 0 0 564.660 3.527 50 0 KHAARN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)c1 ZINC000100683714 554448652 /nfs/dbraw/zinc/44/86/52/554448652.db2.gz XYFWWCXRYWCPOR-MZANGIHLSA-N 0 0 564.660 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100683740 554448723 /nfs/dbraw/zinc/44/87/23/554448723.db2.gz QXDAZRRECYLCPU-ZDQFFALBSA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100683746 554448699 /nfs/dbraw/zinc/44/86/99/554448699.db2.gz QXDAZRRECYLCPU-QKSFETHESA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684072 554448916 /nfs/dbraw/zinc/44/89/16/554448916.db2.gz UFQLWSZEVRAYPJ-LMSRTUJASA-N 0 0 550.633 3.521 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684079 554449227 /nfs/dbraw/zinc/44/92/27/554449227.db2.gz UFQLWSZEVRAYPJ-RISWYLRJSA-N 0 0 550.633 3.521 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684086 554449312 /nfs/dbraw/zinc/44/93/12/554449312.db2.gz CFWVGFIJSZFCAP-SUAMDDGLSA-N 0 0 580.659 3.530 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684093 554449335 /nfs/dbraw/zinc/44/93/35/554449335.db2.gz CFWVGFIJSZFCAP-MFCBUNOESA-N 0 0 580.659 3.530 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684099 554449270 /nfs/dbraw/zinc/44/92/70/554449270.db2.gz XFGQFKCJPXUFKZ-PRLWALMFSA-N 0 0 594.686 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684107 554449201 /nfs/dbraw/zinc/44/92/01/554449201.db2.gz XFGQFKCJPXUFKZ-FUFNRSNVSA-N 0 0 594.686 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684118 554449232 /nfs/dbraw/zinc/44/92/32/554449232.db2.gz SZKOGXSLCZLHEB-GTWFGUSFSA-N 0 0 550.633 3.521 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100684124 554449363 /nfs/dbraw/zinc/44/93/63/554449363.db2.gz SZKOGXSLCZLHEB-SJJVXOANSA-N 0 0 550.633 3.521 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](C1C(=O)CC(C)(C)CC1=O)N(C(=O)CSC(=S)N1CCCC1)CC2 ZINC000100686054 554449263 /nfs/dbraw/zinc/44/92/63/554449263.db2.gz IFHKUJJUPUTTRQ-DEOSSOPVSA-N 0 0 518.701 3.818 50 0 KHAARN COc1cc2c(cc1OC)[C@H](C1C(=O)CC(C)(C)CC1=O)N(C(=O)CSC(=S)N1CCCC1)CC2 ZINC000100686057 554449331 /nfs/dbraw/zinc/44/93/31/554449331.db2.gz IFHKUJJUPUTTRQ-XMMPIXPASA-N 0 0 518.701 3.818 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 ZINC000100689306 554449571 /nfs/dbraw/zinc/44/95/71/554449571.db2.gz UOCGVQLJQAZWGC-VOGGAGISSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 ZINC000100689308 554449582 /nfs/dbraw/zinc/44/95/82/554449582.db2.gz UOCGVQLJQAZWGC-DFOZZHOTSA-N 0 0 546.689 3.797 50 0 KHAARN COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000100694344 554450751 /nfs/dbraw/zinc/45/07/51/554450751.db2.gz LBMMBLHHCXPUHB-CIPTZOQDSA-N 0 0 523.639 3.754 50 0 KHAARN COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1 ZINC000100694348 554450771 /nfs/dbraw/zinc/45/07/71/554450771.db2.gz LBMMBLHHCXPUHB-QEQIRTOISA-N 0 0 523.639 3.754 50 0 KHAARN CC(=O)OCCCNC(=O)/C(=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1 ZINC000100698202 554451327 /nfs/dbraw/zinc/45/13/27/554451327.db2.gz DOWZILZVRNKHMJ-LGUFXXKBSA-N 0 0 536.606 3.603 50 0 KHAARN O=C(NCCCCNC(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000100698639 554451404 /nfs/dbraw/zinc/45/14/04/554451404.db2.gz JAQGDCMPYKVIFT-CONSDPRKSA-N 0 0 628.685 3.944 50 0 KHAARN O=C(NCCCCNC(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000100698641 554451305 /nfs/dbraw/zinc/45/13/05/554451305.db2.gz JAQGDCMPYKVIFT-JSOSNVBQSA-N 0 0 628.685 3.944 50 0 KHAARN O=C(NCCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000100698645 554451334 /nfs/dbraw/zinc/45/13/34/554451334.db2.gz JAQGDCMPYKVIFT-IOWSJCHKSA-N 0 0 628.685 3.944 50 0 KHAARN O=C(NCCCCNC(=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000100698648 554451348 /nfs/dbraw/zinc/45/13/48/554451348.db2.gz JAQGDCMPYKVIFT-FIRIVFDPSA-N 0 0 628.685 3.944 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000100703064 554452547 /nfs/dbraw/zinc/45/25/47/554452547.db2.gz RSFXNDGBQIKNHZ-BUDOKORBSA-N 0 0 547.452 3.548 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000100703066 554452456 /nfs/dbraw/zinc/45/24/56/554452456.db2.gz RSFXNDGBQIKNHZ-OBXYEHHASA-N 0 0 547.452 3.548 50 0 KHAARN O=C(Nc1ccc2ccccc2c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000100712038 554454071 /nfs/dbraw/zinc/45/40/71/554454071.db2.gz FGCBLDYWAHHZPH-SANMLTNESA-N 0 0 535.647 3.542 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100716078 554454475 /nfs/dbraw/zinc/45/44/75/554454475.db2.gz VUKZEKRTVWOOAJ-CTDSRHSESA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100716082 554454482 /nfs/dbraw/zinc/45/44/82/554454482.db2.gz VUKZEKRTVWOOAJ-GYNHSGLESA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100718246 554454929 /nfs/dbraw/zinc/45/49/29/554454929.db2.gz NBLHNPNKDPJYNW-LYRGBEMXSA-N 0 0 541.025 3.776 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100718248 554454861 /nfs/dbraw/zinc/45/48/61/554454861.db2.gz NBLHNPNKDPJYNW-JGTYQCAFSA-N 0 0 541.025 3.776 50 0 KHAARN O=C(C=c1[nH]c2nnc(CCCCc3nnc4[nH]c(=CC(=O)c5ccc(F)cc5)c(=O)n34)n2c1=O)c1ccc(F)cc1 ZINC000100721320 554455477 /nfs/dbraw/zinc/45/54/77/554455477.db2.gz LPUOYMMYZWAUEH-UHFFFAOYSA-N 0 0 570.516 3.712 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000100722078 554456091 /nfs/dbraw/zinc/45/60/91/554456091.db2.gz CDUTXCYNEZJVSE-PIJNJCDPSA-N 0 0 597.649 3.737 50 0 KHAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000100722080 554456080 /nfs/dbraw/zinc/45/60/80/554456080.db2.gz CDUTXCYNEZJVSE-ORDRXGECSA-N 0 0 597.649 3.737 50 0 KHAARN COc1ccc(CCNC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2ccccc2)cc1OC ZINC000100726994 554457496 /nfs/dbraw/zinc/45/74/96/554457496.db2.gz QNURWTXGWCKTFK-JOCHJYFZSA-N 0 0 567.067 3.753 50 0 KHAARN COc1ccc(CCNC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2NC(=O)c2ccccc2)cc1OC ZINC000100726998 554457486 /nfs/dbraw/zinc/45/74/86/554457486.db2.gz QNURWTXGWCKTFK-QFIPXVFZSA-N 0 0 567.067 3.753 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100729286 554459038 /nfs/dbraw/zinc/45/90/38/554459038.db2.gz ZUACOQJOLOQIAN-MGSPXPDISA-N 0 0 541.025 3.776 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100729289 554459002 /nfs/dbraw/zinc/45/90/02/554459002.db2.gz ZUACOQJOLOQIAN-XPCGLTFESA-N 0 0 541.025 3.776 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000100729649 554459441 /nfs/dbraw/zinc/45/94/41/554459441.db2.gz SKBYFNOLLVETRR-FEYWKWKCSA-N 0 0 536.053 3.969 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000100729651 554459380 /nfs/dbraw/zinc/45/93/80/554459380.db2.gz SKBYFNOLLVETRR-UGUGFTGJSA-N 0 0 536.053 3.969 50 0 KHAARN Cc1ccccc1NC(=O)Cn1cnc2c(I)cc(I)cc2c1=O ZINC000100731675 554460011 /nfs/dbraw/zinc/46/00/11/554460011.db2.gz WSMBBWFLGAKXKZ-UHFFFAOYSA-N 0 0 545.118 3.553 50 0 KHAARN O=C(N[C@@H]1CCS(=O)(=O)C1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 ZINC000100737450 554461465 /nfs/dbraw/zinc/46/14/65/554461465.db2.gz QQRXRTMTEJSDPN-RGNNIMSVSA-N 0 0 532.647 3.675 50 0 KHAARN O=C(N[C@H]1CCS(=O)(=O)C1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 ZINC000100737454 554461534 /nfs/dbraw/zinc/46/15/34/554461534.db2.gz QQRXRTMTEJSDPN-BNDVRQRFSA-N 0 0 532.647 3.675 50 0 KHAARN Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000100737459 554461563 /nfs/dbraw/zinc/46/15/63/554461563.db2.gz WCABXMDYVIKCEM-RRDPUDRWSA-N 0 0 546.674 3.983 50 0 KHAARN Cc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000100737466 554461588 /nfs/dbraw/zinc/46/15/88/554461588.db2.gz WCABXMDYVIKCEM-ZKFYFQMZSA-N 0 0 546.674 3.983 50 0 KHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100742717 554463752 /nfs/dbraw/zinc/46/37/52/554463752.db2.gz YXLLQHXMBSUDHI-UHFFFAOYSA-N 0 0 620.728 3.921 50 0 KHAARN O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccc(Cl)cc1 ZINC000100744124 554463914 /nfs/dbraw/zinc/46/39/14/554463914.db2.gz UZWZHVJYOKKBPE-UHFFFAOYSA-N 0 0 565.536 3.898 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000100746246 554464854 /nfs/dbraw/zinc/46/48/54/554464854.db2.gz QFJXUSOHAFSEDP-BJJGPXNVSA-N 0 0 529.039 3.902 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000100746249 554464723 /nfs/dbraw/zinc/46/47/23/554464723.db2.gz QFJXUSOHAFSEDP-IOKRJLGCSA-N 0 0 529.039 3.902 50 0 KHAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccc(Br)cc1 ZINC000100750385 554466182 /nfs/dbraw/zinc/46/61/82/554466182.db2.gz KQLZZLPKNUDUMZ-WMZOPIPTSA-N 0 0 528.428 3.671 50 0 biogenic KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100797336 554473894 /nfs/dbraw/zinc/47/38/94/554473894.db2.gz ARTDFJLGIIKEMD-YJADQXIJSA-N 0 0 534.977 3.874 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100797339 554473950 /nfs/dbraw/zinc/47/39/50/554473950.db2.gz ARTDFJLGIIKEMD-XOYGFPHKSA-N 0 0 534.977 3.874 50 0 KHAARN COc1ccc(C=CC(=O)n2cnnc2SCC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000100798913 554474067 /nfs/dbraw/zinc/47/40/67/554474067.db2.gz SCBNYBAQRQKFQE-ACCUITESSA-N 0 0 526.640 3.790 50 0 KHAARN CC[C@H](Oc1c(I)cc(I)cc1I)C(=O)OC ZINC000100804364 554474527 /nfs/dbraw/zinc/47/45/27/554474527.db2.gz NDFCADUMDWOEMV-VIFPVBQESA-N 0 0 571.918 3.831 50 0 KHAARN CC[C@@H](Oc1c(I)cc(I)cc1I)C(=O)OC ZINC000100804367 554474586 /nfs/dbraw/zinc/47/45/86/554474586.db2.gz NDFCADUMDWOEMV-SECBINFHSA-N 0 0 571.918 3.831 50 0 KHAARN COc1cc(OC)cc(C(=O)NCc2nnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccc(Br)cc2)c1 ZINC000100816783 554477032 /nfs/dbraw/zinc/47/70/32/554477032.db2.gz GUJFHOZWBNSKTC-UHFFFAOYSA-N 0 0 604.512 3.868 50 0 KHAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000100817942 554477953 /nfs/dbraw/zinc/47/79/53/554477953.db2.gz KPYZBESVAWHKJC-NSOVKSMOSA-N 0 0 591.661 3.984 50 0 KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000100817944 554478512 /nfs/dbraw/zinc/47/85/12/554478512.db2.gz KPYZBESVAWHKJC-WUFINQPMSA-N 0 0 591.661 3.984 50 0 KHAARN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000100817946 554478503 /nfs/dbraw/zinc/47/85/03/554478503.db2.gz KPYZBESVAWHKJC-IZLXSDGUSA-N 0 0 591.661 3.984 50 0 KHAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000100817947 554478447 /nfs/dbraw/zinc/47/84/47/554478447.db2.gz KPYZBESVAWHKJC-VSGBNLITSA-N 0 0 591.661 3.984 50 0 KHAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)n(CC)c21 ZINC000100820394 554479710 /nfs/dbraw/zinc/47/97/10/554479710.db2.gz LHFUMDRRTNGCJW-JBKGGCNYSA-N 0 0 503.646 3.660 50 0 KHAARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)n(CC)c21 ZINC000100820395 554479622 /nfs/dbraw/zinc/47/96/22/554479622.db2.gz LHFUMDRRTNGCJW-NGKHFMBDSA-N 0 0 503.646 3.660 50 0 KHAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)n2C ZINC000100821018 554480417 /nfs/dbraw/zinc/48/04/17/554480417.db2.gz FHXRTPNBKWKHDW-UPCARPLXSA-N 0 0 501.630 3.721 50 0 KHAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2CC ZINC000100821023 554480347 /nfs/dbraw/zinc/48/03/47/554480347.db2.gz JVMYKPFAGFNJKX-IZHYLOQSSA-N 0 0 501.630 3.815 50 0 KHAARN CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCc4ccccc4C3)cc1)n2C ZINC000100823793 554481726 /nfs/dbraw/zinc/48/17/26/554481726.db2.gz TVWNLSMCTVCDMC-BYCLXTJYSA-N 0 0 520.636 3.686 50 0 KHAARN CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc3ccccc3)cc1)n2C ZINC000100823796 554481696 /nfs/dbraw/zinc/48/16/96/554481696.db2.gz DWFXUBPLCMBYDQ-RFBIWTDZSA-N 0 0 508.625 3.760 50 0 KHAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2sc1=NC(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000100825329 554481978 /nfs/dbraw/zinc/48/19/78/554481978.db2.gz SZOIIJNRMGTFTO-FVDSYPCUSA-N 0 0 570.674 3.585 50 0 KHAARN COC(=O)Cn1c2ccc(OC)cc2sc1=NC(=O)CSCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000100825390 554481951 /nfs/dbraw/zinc/48/19/51/554481951.db2.gz CUJMWBUKUUJZRN-PNHLSOANSA-N 0 0 542.664 3.807 50 0 KHAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000100828213 554482261 /nfs/dbraw/zinc/48/22/61/554482261.db2.gz URJMUPGJNFUWNU-UHFFFAOYSA-N 0 0 547.874 3.764 50 0 KHAARN COc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)c(=O)n3n2)cc1 ZINC000100829629 554482222 /nfs/dbraw/zinc/48/22/22/554482222.db2.gz OXQCWJGNSPOWLN-XYGWBWBKSA-N 0 0 535.585 3.998 50 0 KHAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 ZINC000100829750 554482623 /nfs/dbraw/zinc/48/26/23/554482623.db2.gz XFBFYWUGKLXKAT-XUJYPJAKSA-N 0 0 508.530 3.865 50 0 KHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832106 554482464 /nfs/dbraw/zinc/48/24/64/554482464.db2.gz VKJJCLVHFFZCTE-FQEVSTJZSA-N 0 0 528.436 3.800 50 0 KHAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832107 554482532 /nfs/dbraw/zinc/48/25/32/554482532.db2.gz VKJJCLVHFFZCTE-HXUWFJFHSA-N 0 0 528.436 3.800 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100837580 554484372 /nfs/dbraw/zinc/48/43/72/554484372.db2.gz UGDUUABWCVUMSB-PIJNJCDPSA-N 0 0 597.649 3.737 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100837582 554484294 /nfs/dbraw/zinc/48/42/94/554484294.db2.gz UGDUUABWCVUMSB-ORDRXGECSA-N 0 0 597.649 3.737 50 0 KHAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc(OC)c1OC ZINC000100837812 554484368 /nfs/dbraw/zinc/48/43/68/554484368.db2.gz MKUJYZCQCZFVAJ-UHFFFAOYSA-N 0 0 558.617 3.550 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(Br)c4)c(=O)n32)cc1 ZINC000100837870 554484582 /nfs/dbraw/zinc/48/45/82/554484582.db2.gz LCZBRIHLIUQMHA-IMEWXKHHSA-N 0 0 527.440 3.958 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(Br)c4)c(=O)n32)cc1 ZINC000100837871 554484642 /nfs/dbraw/zinc/48/46/42/554484642.db2.gz LCZBRIHLIUQMHA-WVWKGNOCSA-N 0 0 527.440 3.958 50 0 KHAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000100837872 554484638 /nfs/dbraw/zinc/48/46/38/554484638.db2.gz PDOMFVORCZYPBB-GVMLUORFSA-N 0 0 550.633 3.519 50 0 KHAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000100837873 554484575 /nfs/dbraw/zinc/48/45/75/554484575.db2.gz PDOMFVORCZYPBB-KMBIYUNPSA-N 0 0 550.633 3.519 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100837940 554484945 /nfs/dbraw/zinc/48/49/45/554484945.db2.gz NFGBDWKUKVZQEP-ASSGYOTOSA-N 0 0 536.650 3.994 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100837943 554484952 /nfs/dbraw/zinc/48/49/52/554484952.db2.gz NFGBDWKUKVZQEP-OGRZUZBBSA-N 0 0 536.650 3.994 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838219 554485148 /nfs/dbraw/zinc/48/51/48/554485148.db2.gz YZJIEXFYEUCCMP-ZDGAQAAHSA-N 0 0 534.634 3.640 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838221 554485175 /nfs/dbraw/zinc/48/51/75/554485175.db2.gz YZJIEXFYEUCCMP-AQIZGWBQSA-N 0 0 534.634 3.640 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000100838227 554485197 /nfs/dbraw/zinc/48/51/97/554485197.db2.gz BHNWLALMNLONQE-GVMLUORFSA-N 0 0 550.633 3.521 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000100838228 554485127 /nfs/dbraw/zinc/48/51/27/554485127.db2.gz BHNWLALMNLONQE-KMBIYUNPSA-N 0 0 550.633 3.521 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838231 554485192 /nfs/dbraw/zinc/48/51/92/554485192.db2.gz YVIFCVZWCUUTAM-KEPJHFNWSA-N 0 0 584.650 3.921 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838232 554485116 /nfs/dbraw/zinc/48/51/16/554485116.db2.gz YVIFCVZWCUUTAM-MIUGUJGPSA-N 0 0 584.650 3.921 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838247 554485186 /nfs/dbraw/zinc/48/51/86/554485186.db2.gz UITRVVIOQUMVBK-IOKRJLGCSA-N 0 0 547.416 3.649 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838248 554485119 /nfs/dbraw/zinc/48/51/19/554485119.db2.gz UITRVVIOQUMVBK-BJJGPXNVSA-N 0 0 547.416 3.649 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838356 554485767 /nfs/dbraw/zinc/48/57/67/554485767.db2.gz NFMCLBVGGQRLPA-PIXWUVMMSA-N 0 0 594.686 3.776 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838359 554485704 /nfs/dbraw/zinc/48/57/04/554485704.db2.gz NFMCLBVGGQRLPA-JBDHCHCMSA-N 0 0 594.686 3.776 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100838360 554485672 /nfs/dbraw/zinc/48/56/72/554485672.db2.gz HXHAAUZSNPIZPV-LCQSEVKBSA-N 0 0 594.686 3.920 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100838362 554485742 /nfs/dbraw/zinc/48/57/42/554485742.db2.gz HXHAAUZSNPIZPV-UQDCTOEPSA-N 0 0 594.686 3.920 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100838372 554485712 /nfs/dbraw/zinc/48/57/12/554485712.db2.gz FIWBQEPTJVYDJV-FQKMCRJQSA-N 0 0 580.659 3.530 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100838373 554485680 /nfs/dbraw/zinc/48/56/80/554485680.db2.gz FIWBQEPTJVYDJV-CRCYZHLCSA-N 0 0 580.659 3.530 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838375 554485730 /nfs/dbraw/zinc/48/57/30/554485730.db2.gz RWUVGDBMEDTEOD-KAEGSSFASA-N 0 0 614.676 3.930 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838376 554485693 /nfs/dbraw/zinc/48/56/93/554485693.db2.gz RWUVGDBMEDTEOD-PLMBTIQCSA-N 0 0 614.676 3.930 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100838687 554486529 /nfs/dbraw/zinc/48/65/29/554486529.db2.gz HGVBCOUCQHHWPY-ULWNEYHBSA-N 0 0 545.661 3.712 50 0 KHAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100838690 554486585 /nfs/dbraw/zinc/48/65/85/554486585.db2.gz HGVBCOUCQHHWPY-ZCCPQQFYSA-N 0 0 545.661 3.712 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839015 554487065 /nfs/dbraw/zinc/48/70/65/554487065.db2.gz LNTZFUYFKVABGF-JAYSWQADSA-N 0 0 534.634 3.856 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839019 554487062 /nfs/dbraw/zinc/48/70/62/554487062.db2.gz LNTZFUYFKVABGF-KEQCBNTKSA-N 0 0 534.634 3.856 50 0 KHAARN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc(OC)c1OC ZINC000100839228 554487246 /nfs/dbraw/zinc/48/72/46/554487246.db2.gz DZCFGOCLLAXXSL-PZDOZLBDSA-N 0 0 528.652 3.522 50 0 KHAARN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC(C)C)=C(C)N=3)cc(OC)c1OC ZINC000100839229 554487236 /nfs/dbraw/zinc/48/72/36/554487236.db2.gz DZCFGOCLLAXXSL-FNUHDPNESA-N 0 0 528.652 3.522 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839301 554487217 /nfs/dbraw/zinc/48/72/17/554487217.db2.gz SQXCTGUFNRNWSY-QTTRZTASSA-N 0 0 542.613 3.885 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100839305 554487266 /nfs/dbraw/zinc/48/72/66/554487266.db2.gz SQXCTGUFNRNWSY-QPJBPQEWSA-N 0 0 542.613 3.885 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100839403 554487226 /nfs/dbraw/zinc/48/72/26/554487226.db2.gz WNMUNOIOUMYSCH-CSJROMOCSA-N 0 0 526.614 3.996 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100839404 554487269 /nfs/dbraw/zinc/48/72/69/554487269.db2.gz WNMUNOIOUMYSCH-ABBNRAPFSA-N 0 0 526.614 3.996 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100839405 554487240 /nfs/dbraw/zinc/48/72/40/554487240.db2.gz GSLKNZJIQYHSGY-MKWGYRPRSA-N 0 0 536.650 3.850 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100839407 554487489 /nfs/dbraw/zinc/48/74/89/554487489.db2.gz GSLKNZJIQYHSGY-OCEWKHMESA-N 0 0 536.650 3.850 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100839409 554487349 /nfs/dbraw/zinc/48/73/49/554487349.db2.gz DDNQBIOKCHENKE-ASSGYOTOSA-N 0 0 536.650 3.994 50 0 KHAARN CCCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000100839411 554487518 /nfs/dbraw/zinc/48/75/18/554487518.db2.gz DDNQBIOKCHENKE-OGRZUZBBSA-N 0 0 536.650 3.994 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000100839597 554487579 /nfs/dbraw/zinc/48/75/79/554487579.db2.gz QWUGQXRTWAYUQQ-XGLZOBASSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1 ZINC000100839598 554487639 /nfs/dbraw/zinc/48/76/39/554487639.db2.gz QWUGQXRTWAYUQQ-LXYLXTGBSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)cc4)c(=O)n32)ccc1OC(C)=O ZINC000100840034 554487975 /nfs/dbraw/zinc/48/79/75/554487975.db2.gz OGSXHDDNXMVDEU-LXYLXTGBSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)cc4)c(=O)n32)ccc1OC(C)=O ZINC000100840037 554488167 /nfs/dbraw/zinc/48/81/67/554488167.db2.gz OGSXHDDNXMVDEU-XGLZOBASSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)ccc1OC(C)=O ZINC000100840038 554488172 /nfs/dbraw/zinc/48/81/72/554488172.db2.gz RAZKXFGYUQOSSX-CRCYZHLCSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)ccc1OC(C)=O ZINC000100840039 554488132 /nfs/dbraw/zinc/48/81/32/554488132.db2.gz RAZKXFGYUQOSSX-FQKMCRJQSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)ccc1OC(C)=O ZINC000100840044 554488198 /nfs/dbraw/zinc/48/81/98/554488198.db2.gz GWEZKZJNRPWOFG-JAYSWQADSA-N 0 0 534.634 3.758 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)ccc1OC(C)=O ZINC000100840045 554488186 /nfs/dbraw/zinc/48/81/86/554488186.db2.gz GWEZKZJNRPWOFG-KEQCBNTKSA-N 0 0 534.634 3.758 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccccc3OC)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840290 554488489 /nfs/dbraw/zinc/48/84/89/554488489.db2.gz BDWXATGRYZWVGP-UHFFFAOYSA-N 0 0 524.628 3.792 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840315 554488456 /nfs/dbraw/zinc/48/84/56/554488456.db2.gz HFMYBLXMWAZKEM-UHFFFAOYSA-N 0 0 627.774 3.568 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840322 554488530 /nfs/dbraw/zinc/48/85/30/554488530.db2.gz LZIMNMTVFKMBGO-UHFFFAOYSA-N 0 0 524.628 3.549 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3cccc(OC)c3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840334 554488491 /nfs/dbraw/zinc/48/84/91/554488491.db2.gz FDCNZWCKRLOHAY-UHFFFAOYSA-N 0 0 524.628 3.792 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3cc(OC)cc(OC)c3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840342 554488495 /nfs/dbraw/zinc/48/84/95/554488495.db2.gz HBPAABRNEUHFFI-UHFFFAOYSA-N 0 0 554.654 3.801 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)cc1 ZINC000100840374 554488791 /nfs/dbraw/zinc/48/87/91/554488791.db2.gz DBPRSKYGYWQQIG-UHFFFAOYSA-N 0 0 599.764 3.724 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 ZINC000100840376 554488749 /nfs/dbraw/zinc/48/87/49/554488749.db2.gz QABIIVOZIKWYRK-UHFFFAOYSA-N 0 0 603.727 3.554 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840379 554488710 /nfs/dbraw/zinc/48/87/10/554488710.db2.gz ODCABSGQTPMKNA-UHFFFAOYSA-N 0 0 629.790 3.814 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)Cc3ccc(OC)cc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000100840384 554488811 /nfs/dbraw/zinc/48/88/11/554488811.db2.gz XSFKLCIXYHQRSM-UHFFFAOYSA-N 0 0 538.655 3.721 50 0 KHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000100842083 554489434 /nfs/dbraw/zinc/48/94/34/554489434.db2.gz LEAUFOZCRZZJEZ-JZXRGVEXSA-N 0 0 540.645 3.922 50 0 KHAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000100842085 554489773 /nfs/dbraw/zinc/48/97/73/554489773.db2.gz LEAUFOZCRZZJEZ-MYSISXQJSA-N 0 0 540.645 3.922 50 0 KHAARN Cn1c2ccc3ccccc3c2s/c1=N\C(=S)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100842131 554489763 /nfs/dbraw/zinc/48/97/63/554489763.db2.gz CMYOGLYJJZYDDG-LCUIJRPUSA-N 0 0 510.666 3.793 50 0 KHAARN O=C(NC(=S)Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100842221 554489818 /nfs/dbraw/zinc/48/98/18/554489818.db2.gz XMMWMZFGVADYDN-UHFFFAOYSA-N 0 0 540.648 3.828 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000100842276 554489735 /nfs/dbraw/zinc/48/97/35/554489735.db2.gz SSTFVLQSSNSNRY-RFCREXOLSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000100842278 554489727 /nfs/dbraw/zinc/48/97/27/554489727.db2.gz SSTFVLQSSNSNRY-DGQDFFLHSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100842280 554489825 /nfs/dbraw/zinc/48/98/25/554489825.db2.gz SSTFVLQSSNSNRY-JODDPADKSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100842281 554489796 /nfs/dbraw/zinc/48/97/96/554489796.db2.gz SSTFVLQSSNSNRY-PRVSXPPLSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)CC1 ZINC000100843332 554490329 /nfs/dbraw/zinc/49/03/29/554490329.db2.gz CJGHSQWIMVIYCY-UHFFFAOYSA-N 0 0 533.610 3.945 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc5nc(C)sc5c4s3)cc2)CC1 ZINC000100843485 554490305 /nfs/dbraw/zinc/49/03/05/554490305.db2.gz KSMFSOZWPJXPBO-UHFFFAOYSA-N 0 0 545.668 3.930 50 0 KHAARN O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100844435 554490904 /nfs/dbraw/zinc/49/09/04/554490904.db2.gz GTHPUBGMNHZGTL-NEWJYFPISA-N 0 0 540.377 3.924 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000100846730 554491498 /nfs/dbraw/zinc/49/14/98/554491498.db2.gz QBPKRYLQFLJLSQ-UHFFFAOYSA-N 0 0 533.610 3.945 50 0 KHAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccc5ccccc5c4n3C)cc2)CC1 ZINC000100846755 554491514 /nfs/dbraw/zinc/49/15/14/554491514.db2.gz PQNLGWCJAPUXGE-RFBIWTDZSA-N 0 0 538.651 3.597 50 0 KHAARN COc1ccc(C(=O)NC(NC(=O)c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100847692 554491533 /nfs/dbraw/zinc/49/15/33/554491533.db2.gz NJNUUTNJHOORHW-UHFFFAOYSA-N 0 0 540.569 3.605 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccccc2)c1=O)NCc1ccccc1Cl ZINC000100852430 554492739 /nfs/dbraw/zinc/49/27/39/554492739.db2.gz HGPIZQCIZLZOHA-UHFFFAOYSA-N 0 0 547.055 3.662 50 0 KHAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O)NCc1ccco1 ZINC000100852559 554492778 /nfs/dbraw/zinc/49/27/78/554492778.db2.gz OKKJCLAUQOENIK-UHFFFAOYSA-N 0 0 528.487 3.510 50 0 KHAARN COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000100852613 554492754 /nfs/dbraw/zinc/49/27/54/554492754.db2.gz ZACFFNHLDYCDML-UHFFFAOYSA-N 0 0 535.000 3.561 50 0 KHAARN COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O ZINC000100852620 554492756 /nfs/dbraw/zinc/49/27/56/554492756.db2.gz VCSICDRWCYWSMQ-UHFFFAOYSA-N 0 0 549.027 3.869 50 0 KHAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)C1=O ZINC000100857938 554494075 /nfs/dbraw/zinc/49/40/75/554494075.db2.gz ZCXYXKASNCJPGG-MYXKAAJQSA-N 0 0 541.654 3.777 50 0 KHAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)C1=O ZINC000100857939 554494126 /nfs/dbraw/zinc/49/41/26/554494126.db2.gz ZCXYXKASNCJPGG-QQYUXEJHSA-N 0 0 541.654 3.777 50 0 KHAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)cc1 ZINC000100859770 554494362 /nfs/dbraw/zinc/49/43/62/554494362.db2.gz IANJKYHRQWLMKP-IZHYLOQSSA-N 0 0 537.729 3.687 50 0 KHAARN CC(=O)Oc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100871401 554499299 /nfs/dbraw/zinc/49/92/99/554499299.db2.gz LLHIQSRDJQZXOD-XXMKCSCWSA-N 0 0 530.627 3.965 50 0 KHAARN CC(=O)Oc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 ZINC000100871402 554499276 /nfs/dbraw/zinc/49/92/76/554499276.db2.gz LLHIQSRDJQZXOD-XSZPGNIMSA-N 0 0 530.627 3.965 50 0 KHAARN COCCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100872433 554501059 /nfs/dbraw/zinc/50/10/59/554501059.db2.gz MENDWWMZVJFFDA-ZIADKAODSA-N 0 0 565.673 3.624 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2CCOC)cc1 ZINC000100872509 554501315 /nfs/dbraw/zinc/50/13/15/554501315.db2.gz WPEITHJGQKWJRM-LNVKXUELSA-N 0 0 526.478 3.883 50 0 KHAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100872533 554501406 /nfs/dbraw/zinc/50/14/06/554501406.db2.gz ITBVBSZVZHKTRU-SGVWPLLPSA-N 0 0 568.515 3.651 50 0 KHAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100872534 554501276 /nfs/dbraw/zinc/50/12/76/554501276.db2.gz ITBVBSZVZHKTRU-PHLKBOCDSA-N 0 0 568.515 3.651 50 0 KHAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100872536 554501325 /nfs/dbraw/zinc/50/13/25/554501325.db2.gz ITBVBSZVZHKTRU-GRITWOACSA-N 0 0 568.515 3.651 50 0 KHAARN COCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000100872630 554501699 /nfs/dbraw/zinc/50/16/99/554501699.db2.gz QPRXNYIUGSVCHL-PBPKIEIKSA-N 0 0 505.637 3.896 50 0 KHAARN COCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000100872634 554501626 /nfs/dbraw/zinc/50/16/26/554501626.db2.gz QPRXNYIUGSVCHL-JSOFMQCWSA-N 0 0 505.637 3.896 50 0 KHAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2CCOC)cc1 ZINC000100872861 554501669 /nfs/dbraw/zinc/50/16/69/554501669.db2.gz VGJFBAONPIUINP-DQSJHHFOSA-N 0 0 587.745 3.705 50 0 KHAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000100872948 554501979 /nfs/dbraw/zinc/50/19/79/554501979.db2.gz USZXVGDKNFXCPX-WCTVFOPTSA-N 0 0 518.620 3.953 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CCOC)cc1 ZINC000100873139 554502221 /nfs/dbraw/zinc/50/22/21/554502221.db2.gz HLAADBVBUYIWTE-IZHYLOQSSA-N 0 0 505.662 3.910 50 0 KHAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100873165 554502296 /nfs/dbraw/zinc/50/22/96/554502296.db2.gz UXCANVLNYBKIIZ-IZHYLOQSSA-N 0 0 503.646 3.520 50 0 KHAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000100873167 554502339 /nfs/dbraw/zinc/50/23/39/554502339.db2.gz HDLYAUBRLVPFIC-BGQJIPHFSA-N 0 0 503.646 3.520 50 0 KHAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000100873169 554502237 /nfs/dbraw/zinc/50/22/37/554502237.db2.gz HDLYAUBRLVPFIC-QXXHGPKRSA-N 0 0 503.646 3.520 50 0 KHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CCOC)cc1 ZINC000100873188 554502345 /nfs/dbraw/zinc/50/23/45/554502345.db2.gz VPDVUJHSDFMOES-IZHYLOQSSA-N 0 0 505.662 3.910 50 0 KHAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100873194 554502323 /nfs/dbraw/zinc/50/23/23/554502323.db2.gz JNONPIJQIMDLPF-RQZHXJHFSA-N 0 0 525.652 3.920 50 0 KHAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100873710 554502780 /nfs/dbraw/zinc/50/27/80/554502780.db2.gz JEYYFVXSKFUFTM-ZTLLFGJFSA-N 0 0 547.699 3.677 50 0 KHAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100873713 554502852 /nfs/dbraw/zinc/50/28/52/554502852.db2.gz JEYYFVXSKFUFTM-SGGMARNFSA-N 0 0 547.699 3.677 50 0 KHAARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100873717 554502735 /nfs/dbraw/zinc/50/27/35/554502735.db2.gz JEYYFVXSKFUFTM-SVLQZTPESA-N 0 0 547.699 3.677 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000100876061 554503699 /nfs/dbraw/zinc/50/36/99/554503699.db2.gz XZSOPVAIXTUMCU-BVKCHYSWSA-N 0 0 515.657 3.592 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000100876063 554504034 /nfs/dbraw/zinc/50/40/34/554504034.db2.gz XZSOPVAIXTUMCU-GUBHCJHISA-N 0 0 515.657 3.592 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100876073 554504041 /nfs/dbraw/zinc/50/40/41/554504041.db2.gz RVHJCBXRVXKACZ-DQSJHHFOSA-N 0 0 535.647 3.672 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100876099 554504020 /nfs/dbraw/zinc/50/40/20/554504020.db2.gz VFWKPFHFKANJPF-QPLCGJKRSA-N 0 0 509.609 3.750 50 0 KHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC(=O)OC)cc1 ZINC000100876118 554503996 /nfs/dbraw/zinc/50/39/96/554503996.db2.gz IJSCAOJTFDONNV-IZHYLOQSSA-N 0 0 503.646 3.736 50 0 KHAARN COC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100876121 554503937 /nfs/dbraw/zinc/50/39/37/554503937.db2.gz SSLGDSLSZYVRQW-RQZHXJHFSA-N 0 0 523.636 3.746 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C(=O)OCC)ccc3n2CC(=O)OC)cc1 ZINC000100876150 554503989 /nfs/dbraw/zinc/50/39/89/554503989.db2.gz DYGZKEHHHBPRES-RQZHXJHFSA-N 0 0 561.682 3.604 50 0 KHAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100876282 554504005 /nfs/dbraw/zinc/50/40/05/554504005.db2.gz LLWILEBVQDWOKR-QPLCGJKRSA-N 0 0 517.673 3.920 50 0 KHAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100876285 554504014 /nfs/dbraw/zinc/50/40/14/554504014.db2.gz FFQXHIUEGSSALR-RQZHXJHFSA-N 0 0 521.620 3.758 50 0 KHAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC(=O)OC)cc1 ZINC000100876428 554504489 /nfs/dbraw/zinc/50/44/89/554504489.db2.gz ZJRFBTFZLBSULW-BZZOAKBMSA-N 0 0 507.609 3.567 50 0 KHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100876449 554504465 /nfs/dbraw/zinc/50/44/65/554504465.db2.gz VUQHVKSXQLGZTN-SGEDCAFJSA-N 0 0 539.610 3.898 50 0 KHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100876465 554504469 /nfs/dbraw/zinc/50/44/69/554504469.db2.gz ZVRXNZKBNJHWMN-SGEDCAFJSA-N 0 0 539.610 3.503 50 0 KHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100876487 554504407 /nfs/dbraw/zinc/50/44/07/554504407.db2.gz NVZHDVGPDAPIOC-LCUIJRPUSA-N 0 0 513.572 3.581 50 0 KHAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC(=O)OC)cc1 ZINC000100876501 554504394 /nfs/dbraw/zinc/50/43/94/554504394.db2.gz ZKJHDILVGNZBPS-BZZOAKBMSA-N 0 0 507.609 3.567 50 0 KHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000100876505 554504418 /nfs/dbraw/zinc/50/44/18/554504418.db2.gz HTDQDSJLXFQIJZ-LCUIJRPUSA-N 0 0 519.620 3.709 50 0 KHAARN COC(=O)Cn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100876510 554504437 /nfs/dbraw/zinc/50/44/37/554504437.db2.gz NQAAOEURTBSTSZ-RFBIWTDZSA-N 0 0 527.599 3.577 50 0 KHAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100877025 554505022 /nfs/dbraw/zinc/50/50/22/554505022.db2.gz KCFCXBPWJHNUSH-DQSJHHFOSA-N 0 0 551.646 3.767 50 0 KHAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)n2CC(=O)OC ZINC000100877134 554505222 /nfs/dbraw/zinc/50/52/22/554505222.db2.gz RFRXIUVYDGSSFC-QPLCGJKRSA-N 0 0 531.656 3.580 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100877183 554505166 /nfs/dbraw/zinc/50/51/66/554505166.db2.gz CRZIYVRRBQUDQN-QPLCGJKRSA-N 0 0 515.657 3.880 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100877201 554505260 /nfs/dbraw/zinc/50/52/60/554505260.db2.gz GISYDBFCXMEIAK-QPLCGJKRSA-N 0 0 515.657 3.736 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000100877204 554505194 /nfs/dbraw/zinc/50/51/94/554505194.db2.gz UXASWFYSQDZUJF-GREHKBSCSA-N 0 0 515.657 3.736 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000100877210 554505250 /nfs/dbraw/zinc/50/52/50/554505250.db2.gz FRAWJPGXVDJYDA-GREHKBSCSA-N 0 0 515.657 3.879 50 0 KHAARN Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n(C)c(=O)c2c1C ZINC000100883128 554507780 /nfs/dbraw/zinc/50/77/80/554507780.db2.gz YSIVORIWRDZITQ-UHFFFAOYSA-N 0 0 544.684 3.550 50 0 KHAARN 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COWRKIFCPIYCAP-FCQUAONHSA-N 0 0 530.993 3.953 50 0 KHAARN COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(OC)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000100915226 554519346 /nfs/dbraw/zinc/51/93/46/554519346.db2.gz KDZNBNNSMQHVIF-UKWMHNODSA-N 0 0 504.970 3.953 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916711 554519862 /nfs/dbraw/zinc/51/98/62/554519862.db2.gz HJHLAUJRBLUPMU-LYZGTLIUSA-N 0 0 539.723 3.934 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916712 554519877 /nfs/dbraw/zinc/51/98/77/554519877.db2.gz HJHLAUJRBLUPMU-PIKZIKFNSA-N 0 0 539.723 3.934 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916719 554519939 /nfs/dbraw/zinc/51/99/39/554519939.db2.gz WWEIHLYETTXOFB-LYZGTLIUSA-N 0 0 539.723 3.934 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916721 554520015 /nfs/dbraw/zinc/52/00/15/554520015.db2.gz WWEIHLYETTXOFB-PIKZIKFNSA-N 0 0 539.723 3.934 50 0 KHAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccccc2)s1 ZINC000100917132 554520023 /nfs/dbraw/zinc/52/00/23/554520023.db2.gz OVNGJLFNJBUOEK-UHFFFAOYSA-N 0 0 545.702 3.748 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000100917403 554519973 /nfs/dbraw/zinc/51/99/73/554519973.db2.gz NNEPZBWUKNZAEX-UHFFFAOYSA-N 0 0 529.609 3.799 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000100917456 554520003 /nfs/dbraw/zinc/52/00/03/554520003.db2.gz UQMLPJIRZFQWSL-UHFFFAOYSA-N 0 0 529.609 3.799 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)CSc2ccccc2)CC1 ZINC000100917474 554519888 /nfs/dbraw/zinc/51/98/88/554519888.db2.gz OSGQCXGAZLINET-UHFFFAOYSA-N 0 0 537.707 3.883 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000100917501 554520249 /nfs/dbraw/zinc/52/02/49/554520249.db2.gz CIKFQHRWTTVPCZ-UHFFFAOYSA-N 0 0 529.609 3.799 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)CSc2ccccc2)CC1 ZINC000100917545 554520243 /nfs/dbraw/zinc/52/02/43/554520243.db2.gz HXYIGBXZAFZJHL-UHFFFAOYSA-N 0 0 539.723 3.999 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000100917764 554520261 /nfs/dbraw/zinc/52/02/61/554520261.db2.gz OYENVVSRLZZFPB-MRXNPFEDSA-N 0 0 524.628 3.527 50 0 KHAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 ZINC000100917765 554520242 /nfs/dbraw/zinc/52/02/42/554520242.db2.gz OYENVVSRLZZFPB-INIZCTEOSA-N 0 0 524.628 3.527 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000100918997 554520827 /nfs/dbraw/zinc/52/08/27/554520827.db2.gz QMOBKUBVVYEBTG-UHFFFAOYSA-N 0 0 527.593 3.683 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000100919006 554520801 /nfs/dbraw/zinc/52/08/01/554520801.db2.gz ZKKJGFOZJHXVDU-UHFFFAOYSA-N 0 0 527.593 3.683 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000100919195 554520807 /nfs/dbraw/zinc/52/08/07/554520807.db2.gz SSTFVLQSSNSNRY-ZULBVDKQSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100919196 554520786 /nfs/dbraw/zinc/52/07/86/554520786.db2.gz SSTFVLQSSNSNRY-UIKKAKGWSA-N 0 0 530.602 3.540 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100919197 554520782 /nfs/dbraw/zinc/52/07/82/554520782.db2.gz SSTFVLQSSNSNRY-NZFUQTOCSA-N 0 0 530.602 3.540 50 0 KHAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)c2ccc(Br)s2)cc(OC)c1OC ZINC000100919921 554521072 /nfs/dbraw/zinc/52/10/72/554521072.db2.gz FSPNHZQWVVQDGY-ZDUSSCGKSA-N 0 0 546.461 3.814 50 0 KHAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)c2ccc(Br)s2)cc(OC)c1OC ZINC000100919922 554521106 /nfs/dbraw/zinc/52/11/06/554521106.db2.gz FSPNHZQWVVQDGY-CYBMUJFWSA-N 0 0 546.461 3.814 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)COc4ccccc4)n3C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000100921426 554521291 /nfs/dbraw/zinc/52/12/91/554521291.db2.gz DIVRZEBXRAPFQL-MHZLTWQESA-N 0 0 600.701 3.998 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)COc4ccccc4)n3C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000100921427 554521319 /nfs/dbraw/zinc/52/13/19/554521319.db2.gz DIVRZEBXRAPFQL-HHHXNRCGSA-N 0 0 600.701 3.998 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4cccc(C(F)(F)F)c4)nn32)cc1 ZINC000100928635 554525576 /nfs/dbraw/zinc/52/55/76/554525576.db2.gz MLDWZVQBZAYQRS-UHFFFAOYSA-N 0 0 523.562 3.965 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NC[C@@H]3COc4ccccc4O3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000100929267 554525832 /nfs/dbraw/zinc/52/58/32/554525832.db2.gz QLKKCFWJAUSTCZ-GYCJOSAFSA-N 0 0 545.423 3.522 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NC[C@@H]3COc4ccccc4O3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000100929271 554525837 /nfs/dbraw/zinc/52/58/37/554525837.db2.gz QLKKCFWJAUSTCZ-VOIUYBSRSA-N 0 0 545.423 3.522 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NC[C@H]3COc4ccccc4O3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000100929275 554525802 /nfs/dbraw/zinc/52/58/02/554525802.db2.gz QLKKCFWJAUSTCZ-FYSMJZIKSA-N 0 0 545.423 3.522 50 0 KHAARN CCN1C2=C(C(=O)N(CCC(=O)NC[C@H]3COc4ccccc4O3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000100929276 554525847 /nfs/dbraw/zinc/52/58/47/554525847.db2.gz QLKKCFWJAUSTCZ-UPCLLVRISA-N 0 0 545.423 3.522 50 0 KHAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccc(OC)cc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000100929511 554526172 /nfs/dbraw/zinc/52/61/72/554526172.db2.gz KSLCGPIADWEGEP-UHFFFAOYSA-N 0 0 548.615 3.702 50 0 KHAARN Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCCN2CCOCC2)c1 ZINC000100929522 554526148 /nfs/dbraw/zinc/52/61/48/554526148.db2.gz BADGXLRCOGZQIS-UIOOFZCWSA-N 0 0 548.665 3.819 50 0 KHAARN Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCCN2CCOCC2)c1 ZINC000100929523 554526154 /nfs/dbraw/zinc/52/61/54/554526154.db2.gz BADGXLRCOGZQIS-FTJBHMTQSA-N 0 0 548.665 3.819 50 0 KHAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCCN2CCOCC2)c1 ZINC000100929524 554526144 /nfs/dbraw/zinc/52/61/44/554526144.db2.gz BADGXLRCOGZQIS-IZZNHLLZSA-N 0 0 548.665 3.819 50 0 KHAARN Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCCN2CCOCC2)c1 ZINC000100929526 554526165 /nfs/dbraw/zinc/52/61/65/554526165.db2.gz BADGXLRCOGZQIS-CLJLJLNGSA-N 0 0 548.665 3.819 50 0 KHAARN COCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 ZINC000100930022 554526438 /nfs/dbraw/zinc/52/64/38/554526438.db2.gz GHPAXKICYPXELC-NRFANRHFSA-N 0 0 538.670 3.646 50 0 KHAARN COCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 ZINC000100930024 554526441 /nfs/dbraw/zinc/52/64/41/554526441.db2.gz GHPAXKICYPXELC-OAQYLSRUSA-N 0 0 538.670 3.646 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100936374 554530438 /nfs/dbraw/zinc/53/04/38/554530438.db2.gz FRTLUKMXPFRRIC-NVXWUHKLSA-N 0 0 521.165 3.509 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100936377 554530429 /nfs/dbraw/zinc/53/04/29/554530429.db2.gz FRTLUKMXPFRRIC-WBVHZDCISA-N 0 0 521.165 3.509 50 0 KHAARN CCOC(=O)c1nn(-c2ccc(Br)cc2)c2c(O)n(-c3ccc(Br)cc3)c(O)c12 ZINC000100936382 554530446 /nfs/dbraw/zinc/53/04/46/554530446.db2.gz FRTLUKMXPFRRIC-DOTOQJQBSA-N 0 0 521.165 3.509 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000100946236 554534294 /nfs/dbraw/zinc/53/42/94/554534294.db2.gz QFJXUSOHAFSEDP-HSELDNCXSA-N 0 0 529.039 3.902 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000100946238 554534303 /nfs/dbraw/zinc/53/43/03/554534303.db2.gz QFJXUSOHAFSEDP-OFHGOEMBSA-N 0 0 529.039 3.902 50 0 KHAARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCN3CCOCC3)c2)CC1 ZINC000100953010 554538023 /nfs/dbraw/zinc/53/80/23/554538023.db2.gz FAEKIRBLFYUUJR-FLWNBWAVSA-N 0 0 584.764 3.745 50 0 KHAARN Cc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000100956848 554539559 /nfs/dbraw/zinc/53/95/59/554539559.db2.gz SMMOVJGNYUTVLH-UHFFFAOYSA-N 0 0 549.438 3.953 50 0 KHAARN COc1ccc(Nc2cc(C)nc(N3CCN(S(=O)(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000100956887 554539847 /nfs/dbraw/zinc/53/98/47/554539847.db2.gz GGISMSPEXMMXJA-UHFFFAOYSA-N 0 0 565.437 3.653 50 0 KHAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957792 554540869 /nfs/dbraw/zinc/54/08/69/554540869.db2.gz ODQJHAYZTPVHPN-UHFFFAOYSA-N 0 0 551.410 3.771 50 0 KHAARN O=C(c1cccc(CSc2nc(Cl)cc(N3CCOCC3)n2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000100961878 554542722 /nfs/dbraw/zinc/54/27/22/554542722.db2.gz RMVGPPLUCZYDJP-UHFFFAOYSA-N 0 0 568.099 3.946 50 0 KHAARN CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H]2O1 ZINC000100967158 554543196 /nfs/dbraw/zinc/54/31/96/554543196.db2.gz XVGDBKLBNXKLMP-BRKVKBHOSA-N 0 0 526.589 3.963 50 0 KHAARN CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](n3ccc(=O)[nH]c3=O)[C@H]2O1 ZINC000100967165 554543265 /nfs/dbraw/zinc/54/32/65/554543265.db2.gz XVGDBKLBNXKLMP-WHENYANWSA-N 0 0 526.589 3.963 50 0 KHAARN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)ccc1Cl ZINC000100969623 554543421 /nfs/dbraw/zinc/54/34/21/554543421.db2.gz HSBFVLICCWRWIJ-UYRXBGFRSA-N 0 0 540.038 3.976 50 0 KHAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100980473 554547394 /nfs/dbraw/zinc/54/73/94/554547394.db2.gz ZQYUWZJPEHNUIP-LAJGZZDBSA-N 0 0 536.540 3.810 50 0 KHAARN CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN12 ZINC000100984151 554548288 /nfs/dbraw/zinc/54/82/88/554548288.db2.gz GCOAZBKRJLGGAY-ISJGIBHGSA-N 0 0 548.592 3.870 50 0 KHAARN CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@@H]2c3ccccc3C=NN12 ZINC000100984155 554548335 /nfs/dbraw/zinc/54/83/35/554548335.db2.gz GCOAZBKRJLGGAY-GVAUOCQISA-N 0 0 548.592 3.870 50 0 KHAARN CC(C)[NH2+]C[C@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-] ZINC000101004917 554553540 /nfs/dbraw/zinc/55/35/40/554553540.db2.gz NJTQWSKCNSQLNO-KWXIBIRDSA-N 0 0 563.603 3.649 50 0 KHAARN CC(C)[NH2+]C[C@H](COCc1ccccc1)OC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-] ZINC000101004918 554553588 /nfs/dbraw/zinc/55/35/88/554553588.db2.gz NJTQWSKCNSQLNO-PVHODMMVSA-N 0 0 563.603 3.649 50 0 KHAARN O=C(NCCn1ncc2c1ncn(Cc1ccc(Br)cc1)c2=O)c1ccc(C(F)(F)F)cc1 ZINC000101007947 554555892 /nfs/dbraw/zinc/55/58/92/554555892.db2.gz YRWODDGBDAVBGS-UHFFFAOYSA-N 0 0 520.309 3.853 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101017966 554561156 /nfs/dbraw/zinc/56/11/56/554561156.db2.gz JXSQBYVACLNGLD-VVOOWDFBSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101017969 554561153 /nfs/dbraw/zinc/56/11/53/554561153.db2.gz JXSQBYVACLNGLD-JUTHHCEFSA-N 0 0 603.491 3.595 50 0 KHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 ZINC000101019192 554561305 /nfs/dbraw/zinc/56/13/05/554561305.db2.gz YYQUCAQZBCFRDJ-VSGBNLITSA-N 0 0 538.604 3.656 50 0 KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 ZINC000101019194 554561288 /nfs/dbraw/zinc/56/12/88/554561288.db2.gz YYQUCAQZBCFRDJ-IZLXSDGUSA-N 0 0 538.604 3.656 50 0 KHAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 ZINC000101019197 554561253 /nfs/dbraw/zinc/56/12/53/554561253.db2.gz YYQUCAQZBCFRDJ-WUFINQPMSA-N 0 0 538.604 3.656 50 0 KHAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1 ZINC000101019199 554561342 /nfs/dbraw/zinc/56/13/42/554561342.db2.gz YYQUCAQZBCFRDJ-NSOVKSMOSA-N 0 0 538.604 3.656 50 0 KHAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccccc1 ZINC000101023010 554562392 /nfs/dbraw/zinc/56/23/92/554562392.db2.gz OLIXMEFZBILIAL-UHFFFAOYSA-N 0 0 553.681 3.559 50 0 KHAARN Cn1cccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000101024132 554563059 /nfs/dbraw/zinc/56/30/59/554563059.db2.gz UCAVWPVJJBFHDL-DEOSSOPVSA-N 0 0 540.089 3.892 50 0 KHAARN Cn1cccc1[C@H]1CC(c2cccs2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)c1ccccc1Cl ZINC000101024134 554563136 /nfs/dbraw/zinc/56/31/36/554563136.db2.gz UCAVWPVJJBFHDL-XMMPIXPASA-N 0 0 540.089 3.892 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101024492 554563122 /nfs/dbraw/zinc/56/31/22/554563122.db2.gz IMXNYBRAKQLBOP-XSZPGNIMSA-N 0 0 534.634 3.640 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000101024495 554563074 /nfs/dbraw/zinc/56/30/74/554563074.db2.gz IMXNYBRAKQLBOP-XXMKCSCWSA-N 0 0 534.634 3.640 50 0 KHAARN CCCCOc1ccc(N2C(=O)C[C@@H](N(O)[C@H]3CC(=O)N(c4ccc(OCCCC)cc4)C3=O)C2=O)cc1 ZINC000101025770 554563891 /nfs/dbraw/zinc/56/38/91/554563891.db2.gz ILABNMQRQHMWEU-PSWAGMNNSA-N 0 0 523.586 3.700 50 0 KHAARN CCCCOc1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(OCCCC)cc4)C3=O)C2=O)cc1 ZINC000101025773 554563849 /nfs/dbraw/zinc/56/38/49/554563849.db2.gz ILABNMQRQHMWEU-DNQXCXABSA-N 0 0 523.586 3.700 50 0 KHAARN COc1ccccc1CCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(CCO)Cc4ccccc4)C3)c2C1=O ZINC000101026194 554563872 /nfs/dbraw/zinc/56/38/72/554563872.db2.gz HGRRZAOGFAHREM-VWLOTQADSA-N 0 0 541.648 3.771 50 0 KHAARN COc1ccccc1CCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(CCO)Cc4ccccc4)C3)c2C1=O ZINC000101026197 554563865 /nfs/dbraw/zinc/56/38/65/554563865.db2.gz HGRRZAOGFAHREM-RUZDIDTESA-N 0 0 541.648 3.771 50 0 KHAARN COCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N4CCC(O)(c5cccc(C(F)(F)F)c5)CC4)C3)c2C1=O ZINC000101026782 554564111 /nfs/dbraw/zinc/56/41/11/554564111.db2.gz GZIWTXCEKJNXAS-IBGZPJMESA-N 0 0 559.585 3.674 50 0 KHAARN COCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N4CCC(O)(c5cccc(C(F)(F)F)c5)CC4)C3)c2C1=O ZINC000101026786 554564065 /nfs/dbraw/zinc/56/40/65/554564065.db2.gz GZIWTXCEKJNXAS-LJQANCHMSA-N 0 0 559.585 3.674 50 0 KHAARN O=C(C1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000101026894 554564096 /nfs/dbraw/zinc/56/40/96/554564096.db2.gz YNEMSNSJWYGOID-QHCPKHFHSA-N 0 0 552.071 3.842 50 0 KHAARN O=C(C1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000101026897 554564198 /nfs/dbraw/zinc/56/41/98/554564198.db2.gz YNEMSNSJWYGOID-HSZRJFAPSA-N 0 0 552.071 3.842 50 0 KHAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)n2C)cc1 ZINC000101028436 554564375 /nfs/dbraw/zinc/56/43/75/554564375.db2.gz HTTHPOAUTQPBML-UHFFFAOYSA-N 0 0 538.855 3.943 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(C[C@@H]3COc4ccccc4O3)C(=O)Cn3nc(C)cc3C)cc12 ZINC000101028697 1066193407 /nfs/dbraw/zinc/19/34/07/1066193407.db2.gz HPGXSHSFILKYHK-XMMPIXPASA-N 0 0 587.677 3.771 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(C[C@H]3COc4ccccc4O3)C(=O)Cn3nc(C)cc3C)cc12 ZINC000101028698 1066193504 /nfs/dbraw/zinc/19/35/04/1066193504.db2.gz HPGXSHSFILKYHK-DEOSSOPVSA-N 0 0 587.677 3.771 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(C[C@@H]3COc4ccccc4O3)C(=O)CCn3ccc(C)n3)cc12 ZINC000101029551 554564949 /nfs/dbraw/zinc/56/49/49/554564949.db2.gz HDCBXNJULSHHCZ-XMMPIXPASA-N 0 0 587.677 3.852 50 0 KHAARN COc1ccc(OC)c2nc(N3CCOCC3)c(CN(C[C@H]3COc4ccccc4O3)C(=O)CCn3ccc(C)n3)cc12 ZINC000101029554 554564833 /nfs/dbraw/zinc/56/48/33/554564833.db2.gz HDCBXNJULSHHCZ-DEOSSOPVSA-N 0 0 587.677 3.852 50 0 KHAARN CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(I)cc3)nn2)cc1 ZINC000101030041 554564926 /nfs/dbraw/zinc/56/49/26/554564926.db2.gz UFDCSKVDPFKRSU-UHFFFAOYSA-N 0 0 525.368 3.504 50 0 KHAARN COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(Br)cc4)n3n2)cc1OC ZINC000101035306 554565555 /nfs/dbraw/zinc/56/55/55/554565555.db2.gz XYMYDYCIQLSHNT-UHFFFAOYSA-N 0 0 523.434 3.759 50 0 KHAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)co2)s1 ZINC000101036283 554565517 /nfs/dbraw/zinc/56/55/17/554565517.db2.gz AFADEIHNNLFWJY-VOTSOKGWSA-N 0 0 533.584 3.777 50 0 KHAARN COc1cc(/C=C/C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc(OC)c1OC ZINC000101036374 554565530 /nfs/dbraw/zinc/56/55/30/554565530.db2.gz VZSNMABSPINKFK-QPJJXVBHSA-N 0 0 545.595 3.777 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000101039434 554567389 /nfs/dbraw/zinc/56/73/89/554567389.db2.gz HWIGAUFPTODHRT-MGSPXPDISA-N 0 0 541.025 3.776 50 0 KHAARN O=C1C[C@@H](N(O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101040284 554567356 /nfs/dbraw/zinc/56/73/56/554567356.db2.gz CTINQXPIMFURQT-IYBDPMFKSA-N 0 0 517.152 3.955 50 0 KHAARN O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101040288 554567514 /nfs/dbraw/zinc/56/75/14/554567514.db2.gz CTINQXPIMFURQT-HZPDHXFCSA-N 0 0 517.152 3.955 50 0 KHAARN COc1cc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000101043264 554568134 /nfs/dbraw/zinc/56/81/34/554568134.db2.gz YVVHXEQKDFVAFJ-RBZQAINGSA-N 0 0 548.592 3.915 50 0 KHAARN COc1cc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000101043266 554568190 /nfs/dbraw/zinc/56/81/90/554568190.db2.gz YVVHXEQKDFVAFJ-VXNXHJTFSA-N 0 0 548.592 3.915 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)c1 ZINC000101043509 554568202 /nfs/dbraw/zinc/56/82/02/554568202.db2.gz ZOHKVHVHJQNWEW-ZCLKUGBOSA-N 0 0 513.525 3.871 50 0 KHAARN O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 ZINC000101056198 554569484 /nfs/dbraw/zinc/56/94/84/554569484.db2.gz ZJKPLCTYKNWFSJ-UHFFFAOYSA-N 0 0 546.230 3.953 50 0 KHAARN CCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000101061368 554570200 /nfs/dbraw/zinc/57/02/00/554570200.db2.gz UMMVURRIDJCRAN-JBKGGCNYSA-N 0 0 503.646 3.660 50 0 KHAARN CCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000101061370 554570162 /nfs/dbraw/zinc/57/01/62/554570162.db2.gz UMMVURRIDJCRAN-NGKHFMBDSA-N 0 0 503.646 3.660 50 0 KHAARN Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)cc1 ZINC000101061958 554570398 /nfs/dbraw/zinc/57/03/98/554570398.db2.gz YGNNAVCEHRJWKS-UHFFFAOYSA-N 0 0 568.291 3.852 50 0 KHAARN COC(=O)[C@@H]1NC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]2C(=O)N(Cc3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000101063343 554570970 /nfs/dbraw/zinc/57/09/70/554570970.db2.gz FDVAJUIZJBFVQA-RJGXRXQPSA-N 0 0 510.924 3.808 50 0 KHAARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000101063388 554570998 /nfs/dbraw/zinc/57/09/98/554570998.db2.gz INPYUMODYYMMGD-LAJGZZDBSA-N 0 0 506.558 3.923 50 0 KHAARN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000101066371 554573078 /nfs/dbraw/zinc/57/30/78/554573078.db2.gz ATHKQOPGAJCYFR-UHFFFAOYSA-N 0 0 519.749 3.985 50 0 KHAARN O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccc(Br)cc1 ZINC000101068089 554573275 /nfs/dbraw/zinc/57/32/75/554573275.db2.gz KQLZZLPKNUDUMZ-AEFFLSMTSA-N 0 0 528.428 3.671 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000101068583 554573260 /nfs/dbraw/zinc/57/32/60/554573260.db2.gz PNHXYSDNOWANLR-ZDUSSCGKSA-N 0 0 549.394 3.637 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C)N1C(=O)COc2ccccc21 ZINC000101068587 554573309 /nfs/dbraw/zinc/57/33/09/554573309.db2.gz PNHXYSDNOWANLR-CYBMUJFWSA-N 0 0 549.394 3.637 50 0 KHAARN CC(=O)Nc1ccc2nc(NC(=O)CSc3nnc([C@H](C)N4C(=O)COc5ccccc54)n3C)sc2c1 ZINC000101068763 554573515 /nfs/dbraw/zinc/57/35/15/554573515.db2.gz AQJJJSWNOSYIEF-ZDUSSCGKSA-N 0 0 537.627 3.601 50 0 KHAARN CC(=O)Nc1ccc2nc(NC(=O)CSc3nnc([C@@H](C)N4C(=O)COc5ccccc54)n3C)sc2c1 ZINC000101068766 554573519 /nfs/dbraw/zinc/57/35/19/554573519.db2.gz AQJJJSWNOSYIEF-CYBMUJFWSA-N 0 0 537.627 3.601 50 0 KHAARN Cc1cc(I)ccc1NC(=O)CSc1nnc([C@@H](C)N2C(=O)COc3ccccc32)n1C ZINC000101068770 554573529 /nfs/dbraw/zinc/57/35/29/554573529.db2.gz DHEXMZZZMBYEDJ-CQSZACIVSA-N 0 0 563.421 3.946 50 0 KHAARN Cc1cc(I)ccc1NC(=O)CSc1nnc([C@H](C)N2C(=O)COc3ccccc32)n1C ZINC000101068776 554573602 /nfs/dbraw/zinc/57/36/02/554573602.db2.gz DHEXMZZZMBYEDJ-AWEZNQCLSA-N 0 0 563.421 3.946 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068819 554573651 /nfs/dbraw/zinc/57/36/51/554573651.db2.gz GKHFIPSYPVMQAT-INIZCTEOSA-N 0 0 543.049 3.523 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068824 554573591 /nfs/dbraw/zinc/57/35/91/554573591.db2.gz GKHFIPSYPVMQAT-MRXNPFEDSA-N 0 0 543.049 3.523 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2cccc(I)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068840 554573640 /nfs/dbraw/zinc/57/36/40/554573640.db2.gz CPEBAKBVALFBBK-ZDUSSCGKSA-N 0 0 549.394 3.637 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2cccc(I)c2)n1C)N1C(=O)COc2ccccc21 ZINC000101068843 554573610 /nfs/dbraw/zinc/57/36/10/554573610.db2.gz CPEBAKBVALFBBK-CYBMUJFWSA-N 0 0 549.394 3.637 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)N2CCc3cc(Br)ccc32)n1C)N1C(=O)COc2ccccc21 ZINC000101068847 554573585 /nfs/dbraw/zinc/57/35/85/554573585.db2.gz RPPNRVMEQLEZSQ-AWEZNQCLSA-N 0 0 528.432 3.746 50 0 KHAARN C[C@H](c1nnc(SCC(=O)N2CCc3cc(Br)ccc32)n1C)N1C(=O)COc2ccccc21 ZINC000101068853 554573643 /nfs/dbraw/zinc/57/36/43/554573643.db2.gz RPPNRVMEQLEZSQ-CQSZACIVSA-N 0 0 528.432 3.746 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C)N1C(=O)COc2ccccc21 ZINC000101068939 554573696 /nfs/dbraw/zinc/57/36/96/554573696.db2.gz HLKCMWZUHAHNHJ-LBPRGKRZSA-N 0 0 520.384 3.934 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1C)N1C(=O)COc2ccccc21 ZINC000101068941 554573789 /nfs/dbraw/zinc/57/37/89/554573789.db2.gz HLKCMWZUHAHNHJ-GFCCVEGCSA-N 0 0 520.384 3.934 50 0 KHAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(Br)cc1)n2CCCN1CCOCC1)N1CCOCC1 ZINC000101074985 554576990 /nfs/dbraw/zinc/57/69/90/554576990.db2.gz XOTNHXKRJRZPCH-UHFFFAOYSA-N 0 0 595.585 3.834 50 0 KHAARN O=C(C[C@@H]1C(=O)N(c2ccc(Br)cc2)C(=S)N1NC(=O)c1ccccc1)NCc1ccccc1 ZINC000101077324 554578064 /nfs/dbraw/zinc/57/80/64/554578064.db2.gz JRHSODUYVSVKOB-OAQYLSRUSA-N 0 0 537.439 3.803 50 0 KHAARN O=C(C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=S)N1NC(=O)c1ccccc1)NCc1ccccc1 ZINC000101077326 554578072 /nfs/dbraw/zinc/57/80/72/554578072.db2.gz JRHSODUYVSVKOB-NRFANRHFSA-N 0 0 537.439 3.803 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)c1 ZINC000101080695 554578721 /nfs/dbraw/zinc/57/87/21/554578721.db2.gz GCHVEJYTSPFEEJ-ZCLKUGBOSA-N 0 0 513.525 3.871 50 0 KHAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000101081774 554579202 /nfs/dbraw/zinc/57/92/02/554579202.db2.gz DMYAJZLSGNRMRL-UHFFFAOYSA-N 0 0 525.428 3.935 50 0 KHAARN O=C(c1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc2c1)N1CCCCC1 ZINC000101081807 554579133 /nfs/dbraw/zinc/57/91/33/554579133.db2.gz WFHDPYDMTMPGOS-UHFFFAOYSA-N 0 0 547.475 3.723 50 0 KHAARN Cc1cc(C)cc(OCc2nc(C(=O)NCCNS(=O)(=O)c3ccc(Br)cc3)cs2)c1 ZINC000101082283 554579439 /nfs/dbraw/zinc/57/94/39/554579439.db2.gz XTVJUJRHIYBKSA-UHFFFAOYSA-N 0 0 524.462 3.810 50 0 KHAARN COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000101082485 554579385 /nfs/dbraw/zinc/57/93/85/554579385.db2.gz RYPWLUKTRYXWPS-UHFFFAOYSA-N 0 0 544.461 3.870 50 0 KHAARN COc1ccc(-n2nc(C(=O)NCc3ccc(F)cc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000101082543 554579455 /nfs/dbraw/zinc/57/94/55/554579455.db2.gz UZOJWBSFGMZKDJ-UHFFFAOYSA-N 0 0 558.488 3.548 50 0 KHAARN COc1ccc(-n2nc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000101082681 554579397 /nfs/dbraw/zinc/57/93/97/554579397.db2.gz HBVJLWWUKIHNHW-KRWDZBQOSA-N 0 0 554.525 3.970 50 0 KHAARN COc1ccc(-n2nc(C(=O)N[C@H](C)c3ccccc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000101082684 554579477 /nfs/dbraw/zinc/57/94/77/554579477.db2.gz HBVJLWWUKIHNHW-QGZVFWFLSA-N 0 0 554.525 3.970 50 0 KHAARN COc1ccc(OCc2nn(CN3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(=S)n2-c2ccccc2)cc1 ZINC000101082692 554579425 /nfs/dbraw/zinc/57/94/25/554579425.db2.gz OVLNJBBSOUUKAD-UHFFFAOYSA-N 0 0 570.697 3.560 50 0 KHAARN O=C(COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cc2C1=O)Nc1cccc(Cl)c1 ZINC000101089797 554581410 /nfs/dbraw/zinc/58/14/10/554581410.db2.gz SHPOAJHSWAASSP-UHFFFAOYSA-N 0 0 584.368 3.567 50 0 KHAARN O=C(c1ccc2oc(CN3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)nc2c1)N1CCCCC1 ZINC000101090091 554581623 /nfs/dbraw/zinc/58/16/23/554581623.db2.gz CTNIAKBNINAADP-UHFFFAOYSA-N 0 0 553.504 3.784 50 0 KHAARN O=C(NC[C@H]1COc2ccccc2O1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000101090154 554581649 /nfs/dbraw/zinc/58/16/49/554581649.db2.gz SGCDAGWHXGDQEU-GPANFISMSA-N 0 0 529.478 3.552 50 0 KHAARN O=C(NC[C@@H]1COc2ccccc2O1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000101090157 554581699 /nfs/dbraw/zinc/58/16/99/554581699.db2.gz SGCDAGWHXGDQEU-UYSNPLJNSA-N 0 0 529.478 3.552 50 0 KHAARN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000101091407 554582585 /nfs/dbraw/zinc/58/25/85/554582585.db2.gz BMCKFOUFCLGLHJ-RQXXJAGISA-N 0 0 520.305 3.899 50 0 KHAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4ncccn4)CC3)c1)c1cc(Br)ccc1O2 ZINC000101092307 554583070 /nfs/dbraw/zinc/58/30/70/554583070.db2.gz UPFADJQMZIDYET-QFQXNSOFSA-N 0 0 549.429 3.971 50 0 KHAARN O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3cc(Br)ccc3N21 ZINC000101092711 554583285 /nfs/dbraw/zinc/58/32/85/554583285.db2.gz RAHSECQGGUPZRL-VFMKGFAKSA-N 0 0 507.384 3.696 50 0 KHAARN COC(=O)Cn1c2ccc(C(C)C)cc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000101093770 554583546 /nfs/dbraw/zinc/58/35/46/554583546.db2.gz GSCRBUXDHOBKSL-WCWDXBQESA-N 0 0 521.686 3.589 50 0 KHAARN CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)C1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)n2C ZINC000101093911 554583558 /nfs/dbraw/zinc/58/35/58/554583558.db2.gz MZIVUCFDJMDPOT-XTQSDGFTSA-N 0 0 528.077 3.660 50 0 KHAARN CCOC(=O)Cn1c2ccccc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000101093923 554583536 /nfs/dbraw/zinc/58/35/36/554583536.db2.gz NTQPSCGKCOCCBS-XTQSDGFTSA-N 0 0 528.077 3.509 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N/C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000101094578 554584047 /nfs/dbraw/zinc/58/40/47/554584047.db2.gz HWHSEYCXGQFMIH-SPWUXBQFSA-N 0 0 528.077 3.570 50 0 KHAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N/C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000101094580 554584051 /nfs/dbraw/zinc/58/40/51/554584051.db2.gz HWHSEYCXGQFMIH-BOKHOTKZSA-N 0 0 528.077 3.570 50 0 KHAARN Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)c(Br)c4)C3=O)ccc21 ZINC000101099364 554586025 /nfs/dbraw/zinc/58/60/25/554586025.db2.gz VLVALCYCTPWLAQ-CAOOACKPSA-N 0 0 535.807 3.968 50 0 KHAARN CS(=O)(=O)N(Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(F)cc1 ZINC000101099797 554586621 /nfs/dbraw/zinc/58/66/21/554586621.db2.gz RIMJTWUTYCRXQV-UHFFFAOYSA-N 0 0 555.613 3.832 50 0 KHAARN CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000101100486 554587389 /nfs/dbraw/zinc/58/73/89/554587389.db2.gz BUTNEOLYHLKWEV-FNGUVFISSA-N 0 0 543.439 3.578 50 0 KHAARN CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000101100489 554587455 /nfs/dbraw/zinc/58/74/55/554587455.db2.gz BUTNEOLYHLKWEV-CNSVBDKNSA-N 0 0 543.439 3.578 50 0 KHAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 ZINC000101102879 554639187 /nfs/dbraw/zinc/63/91/87/554639187.db2.gz CTQDMRGLXMDJFY-NCYKPQTJSA-N 0 0 531.874 3.881 50 0 KHAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3C=CC=NN23)cc1 ZINC000101102883 554639191 /nfs/dbraw/zinc/63/91/91/554639191.db2.gz CTQDMRGLXMDJFY-BQJUDKOJSA-N 0 0 531.874 3.881 50 0 KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101103074 554639219 /nfs/dbraw/zinc/63/92/19/554639219.db2.gz JHCQDXIUCNARGN-YAOOYPAMSA-N 0 0 538.556 3.889 50 0 KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000101103076 554639245 /nfs/dbraw/zinc/63/92/45/554639245.db2.gz JHCQDXIUCNARGN-XUJYPJAKSA-N 0 0 538.556 3.889 50 0 KHAARN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 ZINC000101103221 554639243 /nfs/dbraw/zinc/63/92/43/554639243.db2.gz VNSURGAWJARTAR-UHFFFAOYSA-N 0 0 527.448 3.706 50 0 KHAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000101107684 554640234 /nfs/dbraw/zinc/64/02/34/554640234.db2.gz OEVWPCVFUIXQRH-UHFFFAOYSA-N 0 0 525.428 3.935 50 0 KHAARN O=C1C[C@@H](N(O)[C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)C(=O)N1c1c(Cl)cccc1Cl ZINC000101109345 554641112 /nfs/dbraw/zinc/64/11/12/554641112.db2.gz RNONDYCTDTWIKU-OKILXGFUSA-N 0 0 517.152 3.955 50 0 KHAARN O=C1C[C@@H](N(O)[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)C(=O)N1c1c(Cl)cccc1Cl ZINC000101109349 554641135 /nfs/dbraw/zinc/64/11/35/554641135.db2.gz RNONDYCTDTWIKU-ZIAGYGMSSA-N 0 0 517.152 3.955 50 0 KHAARN O=C(c1cncc(Br)c1)N1CCN(c2nc3nccc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 ZINC000101113465 554642409 /nfs/dbraw/zinc/64/24/09/554642409.db2.gz MVKKSSNTGCJZPJ-UHFFFAOYSA-N 0 0 532.324 3.930 50 0 KHAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101114676 554642549 /nfs/dbraw/zinc/64/25/49/554642549.db2.gz WWHDJJDKTKLCPB-CYXNTTPDSA-N 0 0 542.523 3.838 50 0 KHAARN CC(=O)OC[C@H]1O[C@@H](COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101124057 554644674 /nfs/dbraw/zinc/64/46/74/554644674.db2.gz SJAGZVWUFNLCRK-XMHIYREPSA-N 0 0 617.003 3.618 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000101124232 554644671 /nfs/dbraw/zinc/64/46/71/554644671.db2.gz WLRCCXSXFYTKCW-MGSPXPDISA-N 0 0 541.025 3.776 50 0 KHAARN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccnn1C ZINC000101125877 554645211 /nfs/dbraw/zinc/64/52/11/554645211.db2.gz OQJYFRXZUDHKGP-CYXNTTPDSA-N 0 0 524.533 3.699 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000101126079 554645399 /nfs/dbraw/zinc/64/53/99/554645399.db2.gz QVMFUNWXHFCFAW-FJWZAKCXSA-N 0 0 555.450 3.795 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000101126081 554645385 /nfs/dbraw/zinc/64/53/85/554645385.db2.gz QVMFUNWXHFCFAW-RQLGBQGVSA-N 0 0 555.450 3.795 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3c(Cl)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128410 554646710 /nfs/dbraw/zinc/64/67/10/554646710.db2.gz BYOTUMNJLJMGRK-JGZDWKDESA-N 0 0 547.416 3.649 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3c(Cl)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128416 554646702 /nfs/dbraw/zinc/64/67/02/554646702.db2.gz BYOTUMNJLJMGRK-WYWXSHKMSA-N 0 0 547.416 3.649 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128653 554646904 /nfs/dbraw/zinc/64/69/04/554646904.db2.gz OBVWUNQLPNNLBL-YOKWNPFVSA-N 0 0 544.988 3.525 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128659 554646909 /nfs/dbraw/zinc/64/69/09/554646909.db2.gz OBVWUNQLPNNLBL-NWKGEQBZSA-N 0 0 544.988 3.525 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000101129087 554647605 /nfs/dbraw/zinc/64/76/05/554647605.db2.gz LXXLLOVYMYAKDP-LCQSEVKBSA-N 0 0 594.686 3.920 50 0 KHAARN CCCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000101129095 554647639 /nfs/dbraw/zinc/64/76/39/554647639.db2.gz LXXLLOVYMYAKDP-UQDCTOEPSA-N 0 0 594.686 3.920 50 0 KHAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000101129276 554647906 /nfs/dbraw/zinc/64/79/06/554647906.db2.gz ZFXGZJOLDMCEOE-ZTJHJZSNSA-N 0 0 622.696 3.692 50 0 KHAARN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000101129279 554647865 /nfs/dbraw/zinc/64/78/65/554647865.db2.gz ZFXGZJOLDMCEOE-XIHDXPBISA-N 0 0 622.696 3.692 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000101129369 554648106 /nfs/dbraw/zinc/64/81/06/554648106.db2.gz PKYGDLHQEFGOFW-GKTKDVHMSA-N 0 0 594.686 3.776 50 0 KHAARN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)cc1OC ZINC000101129371 554648186 /nfs/dbraw/zinc/64/81/86/554648186.db2.gz PKYGDLHQEFGOFW-WQNUKSJVSA-N 0 0 594.686 3.776 50 0 KHAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000101129403 554648316 /nfs/dbraw/zinc/64/83/16/554648316.db2.gz BWNYMIWJAVTGHJ-GVMLUORFSA-N 0 0 550.633 3.521 50 0 KHAARN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000101129404 554648354 /nfs/dbraw/zinc/64/83/54/554648354.db2.gz BWNYMIWJAVTGHJ-KMBIYUNPSA-N 0 0 550.633 3.521 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000101129448 554648367 /nfs/dbraw/zinc/64/83/67/554648367.db2.gz MWGMOGQWJSIOBB-ZNQKWNQWSA-N 0 0 561.841 3.749 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000101129450 554648371 /nfs/dbraw/zinc/64/83/71/554648371.db2.gz MWGMOGQWJSIOBB-MRCZTLKWSA-N 0 0 561.841 3.749 50 0 KHAARN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2 ZINC000101130691 554649829 /nfs/dbraw/zinc/64/98/29/554649829.db2.gz CJRROSDYVQZAMI-FQKMCRJQSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OCC(C)C)=C(C)N=2 ZINC000101130693 554649826 /nfs/dbraw/zinc/64/98/26/554649826.db2.gz CJRROSDYVQZAMI-CRCYZHLCSA-N 0 0 564.660 3.767 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)ccc1OC(C)=O 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CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000101154269 554658218 /nfs/dbraw/zinc/65/82/18/554658218.db2.gz UCCAKAZPTLJJGK-VWLOTQADSA-N 0 0 588.583 3.796 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000101154272 554658301 /nfs/dbraw/zinc/65/83/01/554658301.db2.gz UCCAKAZPTLJJGK-RUZDIDTESA-N 0 0 588.583 3.796 50 0 KHAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1OC ZINC000101159546 554659312 /nfs/dbraw/zinc/65/93/12/554659312.db2.gz ZPFHMQCJOKYYND-HFLBTKGNSA-N 0 0 538.556 3.873 50 0 KHAARN COc1ccc(C(=O)C2=C3C(O)N(c4ccc5c(c4)OCCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC ZINC000101159551 554659320 /nfs/dbraw/zinc/65/93/20/554659320.db2.gz ZPFHMQCJOKYYND-PUHABZHSSA-N 0 0 538.556 3.873 50 0 KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3cc(OC)ccc3OC)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101165331 554661029 /nfs/dbraw/zinc/66/10/29/554661029.db2.gz 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/nfs/dbraw/zinc/66/26/88/554662688.db2.gz XIFWGKOTCLDCLY-JOCHJYFZSA-N 0 0 558.566 3.906 50 0 KHAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000101181084 554667006 /nfs/dbraw/zinc/66/70/06/554667006.db2.gz UIWBZYVOYMZROO-RQZHXJHFSA-N 0 0 547.699 3.928 50 0 KHAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC(=O)OC)cc1 ZINC000101181155 554667040 /nfs/dbraw/zinc/66/70/40/554667040.db2.gz DMUPPCUJVSOHPP-DQSJHHFOSA-N 0 0 553.662 3.836 50 0 KHAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C)c2)cc(OC)c1OC ZINC000101181544 554667092 /nfs/dbraw/zinc/66/70/92/554667092.db2.gz MBRQJBBUBMMLRS-UHFFFAOYSA-N 0 0 554.654 3.719 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(OC)c(OC)c3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000101181745 554667289 /nfs/dbraw/zinc/66/72/89/554667289.db2.gz DYIMRQJZIAILDE-UHFFFAOYSA-N 0 0 554.654 3.801 50 0 KHAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1-c1ccc(F)cc1)Nc1nccs1 ZINC000101181767 554667298 /nfs/dbraw/zinc/66/72/98/554667298.db2.gz NQWVWMGUOKIXQG-UHFFFAOYSA-N 0 0 615.738 3.698 50 0 KHAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000101181769 554667286 /nfs/dbraw/zinc/66/72/86/554667286.db2.gz BTFUWNDUGVWFSW-UHFFFAOYSA-N 0 0 627.774 3.568 50 0 KHAARN COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O ZINC000101183200 554668442 /nfs/dbraw/zinc/66/84/42/554668442.db2.gz LNCXYWRVXWTLHE-UHFFFAOYSA-N 0 0 531.012 3.731 50 0 KHAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc(Br)cc1 ZINC000101184050 554668669 /nfs/dbraw/zinc/66/86/69/554668669.db2.gz BSHUPOLUWHTHSJ-UHFFFAOYSA-N 0 0 537.299 3.608 50 0 KHAARN O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1cccc(Br)c1 ZINC000101184105 554668750 /nfs/dbraw/zinc/66/87/50/554668750.db2.gz UGXWCHVCXVMMCV-UHFFFAOYSA-N 0 0 537.299 3.608 50 0 KHAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3c2=O)c(OC)c1 ZINC000101187504 554669674 /nfs/dbraw/zinc/66/96/74/554669674.db2.gz BDKXENXBJLDKGG-UHFFFAOYSA-N 0 0 526.471 3.790 50 0 KHAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101187671 554669624 /nfs/dbraw/zinc/66/96/24/554669624.db2.gz JERJMIKTGSBCAP-UHFFFAOYSA-N 0 0 566.445 3.780 50 0 KHAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccc(C)cc3Br)c3ccccc3c2=O)cc1OC ZINC000101188896 554670087 /nfs/dbraw/zinc/67/00/87/554670087.db2.gz ZSPYASAMIIXFDT-UHFFFAOYSA-N 0 0 551.397 3.842 50 0 KHAARN Cc1cc(Br)ccc1NC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000101190931 554670594 /nfs/dbraw/zinc/67/05/94/554670594.db2.gz DEOLQICQZULXSC-UHFFFAOYSA-N 0 0 533.448 3.527 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 ZINC000101200003 554672536 /nfs/dbraw/zinc/67/25/36/554672536.db2.gz ILUQVSSPLZCOND-QUMGSSFMSA-N 0 0 509.518 3.578 50 0 KHAARN COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN32)cc1 ZINC000101200010 554672504 /nfs/dbraw/zinc/67/25/04/554672504.db2.gz ILUQVSSPLZCOND-QYOOZWMWSA-N 0 0 509.518 3.578 50 0 KHAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202216 554672943 /nfs/dbraw/zinc/67/29/43/554672943.db2.gz OTAXSTSMOKUGIQ-UETMDFGDSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202219 554672929 /nfs/dbraw/zinc/67/29/29/554672929.db2.gz OTAXSTSMOKUGIQ-ZKWJSJOJSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202258 554672927 /nfs/dbraw/zinc/67/29/27/554672927.db2.gz DHAUYLNQMMCMDM-IPPNUHETSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202262 554672954 /nfs/dbraw/zinc/67/29/54/554672954.db2.gz DHAUYLNQMMCMDM-WGMIXOHXSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202682 554673269 /nfs/dbraw/zinc/67/32/69/554673269.db2.gz GYGIGGRRZOYMQS-UETMDFGDSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202686 554673268 /nfs/dbraw/zinc/67/32/68/554673268.db2.gz GYGIGGRRZOYMQS-ZKWJSJOJSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101202722 554673259 /nfs/dbraw/zinc/67/32/59/554673259.db2.gz LIYMJQZQDWUOLD-IPPNUHETSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101202728 554673253 /nfs/dbraw/zinc/67/32/53/554673253.db2.gz LIYMJQZQDWUOLD-WGMIXOHXSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205407 554675247 /nfs/dbraw/zinc/67/52/47/554675247.db2.gz MRVPHPJGNCSACC-KBBGZRRDSA-N 0 0 545.636 3.663 50 0 biogenic KHAARN COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205411 554675381 /nfs/dbraw/zinc/67/53/81/554675381.db2.gz MRVPHPJGNCSACC-YQXAMQIPSA-N 0 0 545.636 3.663 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205932 554675789 /nfs/dbraw/zinc/67/57/89/554675789.db2.gz OVOJYCBDIWOJDR-QWPPCQAFSA-N 0 0 574.516 3.802 50 0 biogenic KHAARN CC(C)OCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205933 554675808 /nfs/dbraw/zinc/67/58/08/554675808.db2.gz OVOJYCBDIWOJDR-AEQXRQRWSA-N 0 0 574.516 3.802 50 0 biogenic KHAARN COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101208588 554677852 /nfs/dbraw/zinc/67/78/52/554677852.db2.gz QJJYTGVXUWKTAY-UHASXDTDSA-N 0 0 529.637 3.742 50 0 biogenic KHAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(C)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101208592 554677848 /nfs/dbraw/zinc/67/78/48/554677848.db2.gz QJJYTGVXUWKTAY-KBBGZRRDSA-N 0 0 529.637 3.742 50 0 biogenic KHAARN CC[C@H](C(=O)N1CCN(c2nc(CN3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000101209395 554678229 /nfs/dbraw/zinc/67/82/29/554678229.db2.gz NVYYLIGEWFXWAJ-VWLOTQADSA-N 0 0 565.118 3.597 50 0 KHAARN CC[C@@H](C(=O)N1CCN(c2nc(CN3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000101209399 554678241 /nfs/dbraw/zinc/67/82/41/554678241.db2.gz NVYYLIGEWFXWAJ-RUZDIDTESA-N 0 0 565.118 3.597 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000101215216 554680974 /nfs/dbraw/zinc/68/09/74/554680974.db2.gz UQDCLXZUTAZFAS-QHCPKHFHSA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000101215217 554680906 /nfs/dbraw/zinc/68/09/06/554680906.db2.gz UQDCLXZUTAZFAS-HSZRJFAPSA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000101215249 554680988 /nfs/dbraw/zinc/68/09/88/554680988.db2.gz OFKKRVQCUUILKU-NRFANRHFSA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000101215251 554680958 /nfs/dbraw/zinc/68/09/58/554680958.db2.gz OFKKRVQCUUILKU-OAQYLSRUSA-N 0 0 533.597 3.603 50 0 KHAARN COCCn1c(CN(C[C@@H]2CCCO2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000101215416 554681159 /nfs/dbraw/zinc/68/11/59/554681159.db2.gz JPHZDVMJMLCYBY-DEOSSOPVSA-N 0 0 532.062 3.978 50 0 KHAARN COCCn1c(CN(C[C@H]2CCCO2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000101215418 554681113 /nfs/dbraw/zinc/68/11/13/554681113.db2.gz JPHZDVMJMLCYBY-XMMPIXPASA-N 0 0 532.062 3.978 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000101215794 554681972 /nfs/dbraw/zinc/68/19/72/554681972.db2.gz SLJGKHVESSVHFH-SVBPBHIXSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000101215799 554682006 /nfs/dbraw/zinc/68/20/06/554682006.db2.gz SLJGKHVESSVHFH-RRPNLBNLSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000101215803 554682028 /nfs/dbraw/zinc/68/20/28/554682028.db2.gz SLJGKHVESSVHFH-SXOMAYOGSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000101215805 554682039 /nfs/dbraw/zinc/68/20/39/554682039.db2.gz SLJGKHVESSVHFH-KAYWLYCHSA-N 0 0 555.672 3.925 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000101216003 554682332 /nfs/dbraw/zinc/68/23/32/554682332.db2.gz VNNREKQEADIDOC-DEOSSOPVSA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1cccc(F)c1 ZINC000101216009 554682232 /nfs/dbraw/zinc/68/22/32/554682232.db2.gz VNNREKQEADIDOC-XMMPIXPASA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)c1ccccc1F ZINC000101216043 554682341 /nfs/dbraw/zinc/68/23/41/554682341.db2.gz SBRIWJPMDZTRAR-QFIPXVFZSA-N 0 0 533.597 3.603 50 0 KHAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1)C(=O)c1ccccc1F ZINC000101216046 554682307 /nfs/dbraw/zinc/68/23/07/554682307.db2.gz SBRIWJPMDZTRAR-JOCHJYFZSA-N 0 0 533.597 3.603 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000101216065 554682709 /nfs/dbraw/zinc/68/27/09/554682709.db2.gz LDEMPMCILHSTAC-UIOOFZCWSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000101216069 554682710 /nfs/dbraw/zinc/68/27/10/554682710.db2.gz LDEMPMCILHSTAC-IZZNHLLZSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000101216070 554682666 /nfs/dbraw/zinc/68/26/66/554682666.db2.gz LDEMPMCILHSTAC-FTJBHMTQSA-N 0 0 555.672 3.925 50 0 KHAARN O=C(Cc1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000101216074 554682667 /nfs/dbraw/zinc/68/26/67/554682667.db2.gz LDEMPMCILHSTAC-CLJLJLNGSA-N 0 0 555.672 3.925 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)c(C(=O)OCC)c1C ZINC000101218503 554685692 /nfs/dbraw/zinc/68/56/92/554685692.db2.gz XZROQAHQAFOLRH-MRXNPFEDSA-N 0 0 603.723 3.525 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)Cc3ccc(OC)cc3)n2C)c(C(=O)OCC)c1C ZINC000101218508 554685660 /nfs/dbraw/zinc/68/56/60/554685660.db2.gz XZROQAHQAFOLRH-INIZCTEOSA-N 0 0 603.723 3.525 50 0 KHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c32)CC1 ZINC000101222590 554687607 /nfs/dbraw/zinc/68/76/07/554687607.db2.gz KMTSVUDTUKHCCS-UHFFFAOYSA-N 0 0 606.101 3.717 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234776 554690131 /nfs/dbraw/zinc/69/01/31/554690131.db2.gz FKUOXVNBFLBTOC-LOYHVIPDSA-N 0 0 575.662 3.989 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234777 554690089 /nfs/dbraw/zinc/69/00/89/554690089.db2.gz FKUOXVNBFLBTOC-IHLOFXLRSA-N 0 0 575.662 3.989 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234778 554690182 /nfs/dbraw/zinc/69/01/82/554690182.db2.gz FKUOXVNBFLBTOC-XZWHSSHBSA-N 0 0 575.662 3.989 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4OC)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234779 554690148 /nfs/dbraw/zinc/69/01/48/554690148.db2.gz FKUOXVNBFLBTOC-KYJUHHDHSA-N 0 0 575.662 3.989 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234813 554690138 /nfs/dbraw/zinc/69/01/38/554690138.db2.gz PBAOLYSLMDKFJS-FQLXRVMXSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234816 554690171 /nfs/dbraw/zinc/69/01/71/554690171.db2.gz PBAOLYSLMDKFJS-WDYNHAJCSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234818 554690163 /nfs/dbraw/zinc/69/01/63/554690163.db2.gz PBAOLYSLMDKFJS-URLMMPGGSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101234821 554690092 /nfs/dbraw/zinc/69/00/92/554690092.db2.gz PBAOLYSLMDKFJS-VMPREFPWSA-N 0 0 545.636 3.980 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235003 554690419 /nfs/dbraw/zinc/69/04/19/554690419.db2.gz BUTVEUIIUKAZNG-LOYHVIPDSA-N 0 0 559.663 3.976 50 0 KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235009 554690438 /nfs/dbraw/zinc/69/04/38/554690438.db2.gz BUTVEUIIUKAZNG-IHLOFXLRSA-N 0 0 559.663 3.976 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235013 554690409 /nfs/dbraw/zinc/69/04/09/554690409.db2.gz BUTVEUIIUKAZNG-XZWHSSHBSA-N 0 0 559.663 3.976 50 0 KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235018 554690386 /nfs/dbraw/zinc/69/03/86/554690386.db2.gz BUTVEUIIUKAZNG-KYJUHHDHSA-N 0 0 559.663 3.976 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235109 554690394 /nfs/dbraw/zinc/69/03/94/554690394.db2.gz KZIRKKWYXYDEAM-WMEVLASGSA-N 0 0 548.592 3.588 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235117 554690447 /nfs/dbraw/zinc/69/04/47/554690447.db2.gz KZIRKKWYXYDEAM-OFDZLUAPSA-N 0 0 548.592 3.588 50 0 KHAARN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1Cl ZINC000101254080 554694422 /nfs/dbraw/zinc/69/44/22/554694422.db2.gz BIEZIBDXNRPBKO-GOSISDBHSA-N 0 0 553.866 3.578 50 0 KHAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1Cl ZINC000101254083 554694513 /nfs/dbraw/zinc/69/45/13/554694513.db2.gz BIEZIBDXNRPBKO-SFHVURJKSA-N 0 0 553.866 3.578 50 0 KHAARN CC(=O)NCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000101254426 554694904 /nfs/dbraw/zinc/69/49/04/554694904.db2.gz RLXSHMNXWHCDDZ-GOSISDBHSA-N 0 0 523.840 3.570 50 0 KHAARN CC(=O)NCCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000101254431 554694956 /nfs/dbraw/zinc/69/49/56/554694956.db2.gz RLXSHMNXWHCDDZ-SFHVURJKSA-N 0 0 523.840 3.570 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000101254523 554694901 /nfs/dbraw/zinc/69/49/01/554694901.db2.gz VFGCTVMJKGXEEU-OAQYLSRUSA-N 0 0 533.050 3.604 50 0 KHAARN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCNC(C)=O)cc1 ZINC000101254525 554694932 /nfs/dbraw/zinc/69/49/32/554694932.db2.gz VFGCTVMJKGXEEU-NRFANRHFSA-N 0 0 533.050 3.604 50 0 KHAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@H]12 ZINC000101263084 554697600 /nfs/dbraw/zinc/69/76/00/554697600.db2.gz LQLRQKTUJUBULQ-TZRRMPRUSA-N 0 0 505.958 3.926 50 0 KHAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@H]12 ZINC000101263086 554697687 /nfs/dbraw/zinc/69/76/87/554697687.db2.gz LQLRQKTUJUBULQ-SGNDLWITSA-N 0 0 505.958 3.926 50 0 KHAARN COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)[C@H]2C(=O)N(c3cc(Cl)ccc3OC)C(=O)[C@@H]12 ZINC000101263089 554697697 /nfs/dbraw/zinc/69/76/97/554697697.db2.gz LQLRQKTUJUBULQ-KMDXXIMOSA-N 0 0 505.958 3.926 50 0 KHAARN O=S(=O)(c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCN2CCOCC2)s1)c1ccccc1 ZINC000101263159 554697779 /nfs/dbraw/zinc/69/77/79/554697779.db2.gz MADYVVPZRDUKHF-UHFFFAOYSA-N 0 0 542.104 3.596 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCCN3CCOCC3)s2)cc1 ZINC000101263197 554697835 /nfs/dbraw/zinc/69/78/35/554697835.db2.gz GARTXBVHRAJHNB-UHFFFAOYSA-N 0 0 535.713 3.560 50 0 KHAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCCN3CCCC3=O)s2)cc1 ZINC000101263203 554697847 /nfs/dbraw/zinc/69/78/47/554697847.db2.gz VMZQCRTYNSTYEC-UHFFFAOYSA-N 0 0 533.697 3.850 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4OC)NN(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101263270 554697785 /nfs/dbraw/zinc/69/77/85/554697785.db2.gz AMFVOBVQPAZLTE-DSITVLBTSA-N 0 0 515.566 3.671 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(OC)c4OC)NN(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101263275 554697901 /nfs/dbraw/zinc/69/79/01/554697901.db2.gz AMFVOBVQPAZLTE-SDHSZQHLSA-N 0 0 515.566 3.671 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(OC)ccc4OC)NN(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101263280 554697873 /nfs/dbraw/zinc/69/78/73/554697873.db2.gz GRGDDCPETQHNPN-ZNZIZOMTSA-N 0 0 515.566 3.671 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4cc(OC)ccc4OC)NN(C(=O)c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101263284 554697854 /nfs/dbraw/zinc/69/78/54/554697854.db2.gz GRGDDCPETQHNPN-CYXNTTPDSA-N 0 0 515.566 3.671 50 0 KHAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264750 554698150 /nfs/dbraw/zinc/69/81/50/554698150.db2.gz NLJBHKOTBCVIRL-HHHXNRCGSA-N 0 0 562.070 3.610 50 0 KHAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264753 554698179 /nfs/dbraw/zinc/69/81/79/554698179.db2.gz NLJBHKOTBCVIRL-MHZLTWQESA-N 0 0 562.070 3.610 50 0 KHAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264773 554698161 /nfs/dbraw/zinc/69/81/61/554698161.db2.gz LSFXYKRNODUSOK-HHHXNRCGSA-N 0 0 595.622 3.976 50 0 KHAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264775 554698133 /nfs/dbraw/zinc/69/81/33/554698133.db2.gz LSFXYKRNODUSOK-MHZLTWQESA-N 0 0 595.622 3.976 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000101266446 554698783 /nfs/dbraw/zinc/69/87/83/554698783.db2.gz CXLBTBBVQFEMNH-ATIYNZHBSA-N 0 0 555.628 3.506 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000101266449 554698780 /nfs/dbraw/zinc/69/87/80/554698780.db2.gz CXLBTBBVQFEMNH-BKMJKUGQSA-N 0 0 555.628 3.506 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000101266452 554698789 /nfs/dbraw/zinc/69/87/89/554698789.db2.gz CXLBTBBVQFEMNH-GJZUVCINSA-N 0 0 555.628 3.506 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000101266454 554698805 /nfs/dbraw/zinc/69/88/05/554698805.db2.gz CXLBTBBVQFEMNH-NVQXNPDNSA-N 0 0 555.628 3.506 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266488 554698896 /nfs/dbraw/zinc/69/88/96/554698896.db2.gz LHTXFMYDZZYBSY-ATIYNZHBSA-N 0 0 540.613 3.571 50 0 biogenic KHAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC4(CC3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266493 554698916 /nfs/dbraw/zinc/69/89/16/554698916.db2.gz LHTXFMYDZZYBSY-GJZUVCINSA-N 0 0 540.613 3.571 50 0 biogenic KHAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266495 554699049 /nfs/dbraw/zinc/69/90/49/554699049.db2.gz LHTXFMYDZZYBSY-BKMJKUGQSA-N 0 0 540.613 3.571 50 0 biogenic KHAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC4(CC3)OCCO4)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101266497 554698958 /nfs/dbraw/zinc/69/89/58/554698958.db2.gz LHTXFMYDZZYBSY-NVQXNPDNSA-N 0 0 540.613 3.571 50 0 biogenic KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101266586 554698942 /nfs/dbraw/zinc/69/89/42/554698942.db2.gz KDZITIOEEWJLKW-BETUJISGSA-N 0 0 527.043 3.864 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000101266590 554698919 /nfs/dbraw/zinc/69/89/19/554698919.db2.gz KDZITIOEEWJLKW-STQMWFEESA-N 0 0 527.043 3.864 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000101266592 554699053 /nfs/dbraw/zinc/69/90/53/554699053.db2.gz KDZITIOEEWJLKW-CHWSQXEVSA-N 0 0 527.043 3.864 50 0 KHAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1Cl ZINC000101266599 554699009 /nfs/dbraw/zinc/69/90/09/554699009.db2.gz NHMRYTXQOGYAMK-OKILXGFUSA-N 0 0 539.079 3.734 50 0 KHAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1Cl ZINC000101266600 554698911 /nfs/dbraw/zinc/69/89/11/554698911.db2.gz NHMRYTXQOGYAMK-KBPBESRZSA-N 0 0 539.079 3.734 50 0 KHAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1Cl ZINC000101266601 554698951 /nfs/dbraw/zinc/69/89/51/554698951.db2.gz NHMRYTXQOGYAMK-ZIAGYGMSSA-N 0 0 539.079 3.734 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101266615 554698901 /nfs/dbraw/zinc/69/89/01/554698901.db2.gz GJTKBVIUGUUMGB-BETUJISGSA-N 0 0 527.043 3.864 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000101266617 554698905 /nfs/dbraw/zinc/69/89/05/554698905.db2.gz GJTKBVIUGUUMGB-STQMWFEESA-N 0 0 527.043 3.864 50 0 KHAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000101266620 554698960 /nfs/dbraw/zinc/69/89/60/554698960.db2.gz GJTKBVIUGUUMGB-CHWSQXEVSA-N 0 0 527.043 3.864 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1Cl ZINC000101266629 554699237 /nfs/dbraw/zinc/69/92/37/554699237.db2.gz UOEPTXGUSSZAAU-OKILXGFUSA-N 0 0 569.105 3.742 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1Cl ZINC000101266631 554699314 /nfs/dbraw/zinc/69/93/14/554699314.db2.gz UOEPTXGUSSZAAU-KBPBESRZSA-N 0 0 569.105 3.742 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1Cl ZINC000101266632 554699305 /nfs/dbraw/zinc/69/93/05/554699305.db2.gz UOEPTXGUSSZAAU-ZIAGYGMSSA-N 0 0 569.105 3.742 50 0 KHAARN CCN(CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000101266787 554699224 /nfs/dbraw/zinc/69/92/24/554699224.db2.gz SASZJRGUACUVAM-OYRHEFFESA-N 0 0 573.785 3.774 50 0 KHAARN COc1ccc(CCNC(=O)Cn2c3sc4c(c3c(=O)n(Cc3ccccc3)c2=O)CCCC4)cc1OC ZINC000101269026 554700031 /nfs/dbraw/zinc/70/00/31/554700031.db2.gz PZZRILBWSBPTDY-UHFFFAOYSA-N 0 0 533.650 3.528 50 0 KHAARN COc1ccc(CCNC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CCC4)cc1OC ZINC000101269163 554700013 /nfs/dbraw/zinc/70/00/13/554700013.db2.gz POINFBDGSXQWON-UHFFFAOYSA-N 0 0 533.650 3.696 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c(C)c(C(C)=O)sc3n(CC(=O)Nc3ccccc3C(=O)OC)c2=O)cc1 ZINC000101269309 554700272 /nfs/dbraw/zinc/70/02/72/554700272.db2.gz UYVSALOUZXGMJK-UHFFFAOYSA-N 0 0 535.578 3.549 50 0 KHAARN COC(=O)c1ccccc1NC(=O)Cn1c2sc3c(c2c(=O)n(-c2ccc(OC)cc2OC)c1=O)CCCC3 ZINC000101269365 554700292 /nfs/dbraw/zinc/70/02/92/554700292.db2.gz YOTBLUBBMGNPKI-UHFFFAOYSA-N 0 0 549.605 3.535 50 0 KHAARN COc1ccc(CC(=O)Nc2ccc(N3CCC(C(N)=O)CC3)c(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000101270001 554700518 /nfs/dbraw/zinc/70/05/18/554700518.db2.gz MYZASRHATRHIGC-FQEVSTJZSA-N 0 0 550.681 3.618 50 0 KHAARN COc1ccc(CC(=O)Nc2ccc(N3CCC(C(N)=O)CC3)c(S(=O)(=O)N[C@H](C)c3ccccc3)c2)cc1 ZINC000101270002 554700497 /nfs/dbraw/zinc/70/04/97/554700497.db2.gz MYZASRHATRHIGC-HXUWFJFHSA-N 0 0 550.681 3.618 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCN(C(=O)OCC)C4)cc1 ZINC000101270455 554700765 /nfs/dbraw/zinc/70/07/65/554700765.db2.gz BZQFVHJJUCHWAP-UHFFFAOYSA-N 0 0 576.631 3.544 50 0 KHAARN COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\NS(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 ZINC000101270891 554700785 /nfs/dbraw/zinc/70/07/85/554700785.db2.gz TXFRXNSSKZFQPZ-SGEDCAFJSA-N 0 0 534.550 3.970 50 0 KHAARN COc1ccc2c(c1)c1c(c(=O)n(-c3cccc(Cl)c3)c(=O)n1CC(=O)Nc1ccc(OC)cc1OC)n2C ZINC000101271257 554700784 /nfs/dbraw/zinc/70/07/84/554700784.db2.gz ZQIWDVBMIXNWKM-UHFFFAOYSA-N 0 0 548.983 3.962 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cccc(Cl)c3)c2=O)CCN(C(C)=O)C4)cc1 ZINC000101271591 554700788 /nfs/dbraw/zinc/70/07/88/554700788.db2.gz MOJWLPHOBYKFKA-UHFFFAOYSA-N 0 0 553.040 3.809 50 0 KHAARN COc1cc(NC(=O)Cn2c3sc4c(c3c(=O)n(-c3cc(Cl)ccc3C)c2=O)CCN(C(C)=O)C4)cc(OC)c1 ZINC000101271592 554700760 /nfs/dbraw/zinc/70/07/60/554700760.db2.gz YOEMVARPBWWTOW-UHFFFAOYSA-N 0 0 583.066 3.736 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C(C)=O)C4)cc1OC ZINC000101271862 554701065 /nfs/dbraw/zinc/70/10/65/554701065.db2.gz YNBLEYRJOSCRQU-UHFFFAOYSA-N 0 0 578.716 3.820 50 0 KHAARN COc1cccc(CNC(=O)Cn2c3ccsc3c(=O)n(CC3CCC(C(=O)NCc4ccccc4)CC3)c2=O)c1OC ZINC000101273225 554701658 /nfs/dbraw/zinc/70/16/58/554701658.db2.gz CYMNWXLFFDXKNI-UHFFFAOYSA-N 0 0 604.729 3.681 50 0 KHAARN O=C(Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)NCc3ccccc3)CC2)c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000101273271 554701608 /nfs/dbraw/zinc/70/16/08/554701608.db2.gz PYNVTUQRJVWGJL-UHFFFAOYSA-N 0 0 617.747 3.835 50 0 KHAARN O=C(Cn1c2ccsc2c(=O)n(CC2CCC(C(=O)NCc3ccccc3)CC2)c1=O)N1CCN(c2ccccc2F)CC1 ZINC000101273274 554701609 /nfs/dbraw/zinc/70/16/09/554701609.db2.gz GUPDAFDBQCKYKZ-UHFFFAOYSA-N 0 0 617.747 3.835 50 0 KHAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Br)c3)[nH]c2=O)cc1Cl ZINC000101273300 554701618 /nfs/dbraw/zinc/70/16/18/554701618.db2.gz HMGDZFONCBIXOJ-UHFFFAOYSA-N 0 0 544.836 3.758 50 0 KHAARN Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)c2n1 ZINC000101273893 554702196 /nfs/dbraw/zinc/70/21/96/554702196.db2.gz PARZXKADNFYNLF-UHFFFAOYSA-N 0 0 523.439 3.872 50 0 KHAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(Br)c(C)c1 ZINC000101273955 554702150 /nfs/dbraw/zinc/70/21/50/554702150.db2.gz ASQUYBVGLAQYLZ-UHFFFAOYSA-N 0 0 528.382 3.585 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O)NCc1cccs1 ZINC000101274655 554702378 /nfs/dbraw/zinc/70/23/78/554702378.db2.gz DWTJBMGLYWGIOA-UHFFFAOYSA-N 0 0 530.650 3.887 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2F)c1=O)NCc1cccs1 ZINC000101274857 554702430 /nfs/dbraw/zinc/70/24/30/554702430.db2.gz 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O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000101330867 554731478 /nfs/dbraw/zinc/73/14/78/554731478.db2.gz DCYZTKIDOMASMX-UHFFFAOYSA-N 0 0 540.620 3.741 50 0 KHAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1OC ZINC000101330870 554731459 /nfs/dbraw/zinc/73/14/59/554731459.db2.gz NJESXPGRQJLKKU-UHFFFAOYSA-N 0 0 572.662 3.575 50 0 KHAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@@H]4CCCO4)cc3)c2=O)cc1 ZINC000101330969 554731474 /nfs/dbraw/zinc/73/14/74/554731474.db2.gz LFIUWBCZOGMNKQ-SANMLTNESA-N 0 0 554.647 3.752 50 0 KHAARN CC(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC[C@H]4CCCO4)cc3)c2=O)cc1 ZINC000101330971 554731431 /nfs/dbraw/zinc/73/14/31/554731431.db2.gz LFIUWBCZOGMNKQ-AREMUKBSSA-N 0 0 554.647 3.752 50 0 KHAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1OC ZINC000101331042 554731746 /nfs/dbraw/zinc/73/17/46/554731746.db2.gz ZOWVDTRMLHWTML-UHFFFAOYSA-N 0 0 578.710 3.501 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000101331106 554731720 /nfs/dbraw/zinc/73/17/20/554731720.db2.gz XPUWRPIOJFSAFV-UHFFFAOYSA-N 0 0 549.027 3.951 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccccc3Cl)c2=O)cc1Cl ZINC000101331171 554731709 /nfs/dbraw/zinc/73/17/09/554731709.db2.gz FEFPFCGHOCMBMN-UHFFFAOYSA-N 0 0 555.418 3.824 50 0 KHAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000101331181 554731741 /nfs/dbraw/zinc/73/17/41/554731741.db2.gz GOSWOHMQOBGADX-UHFFFAOYSA-N 0 0 554.647 3.599 50 0 KHAARN CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3OC)cc2)c1=O ZINC000101331196 554731970 /nfs/dbraw/zinc/73/19/70/554731970.db2.gz GGVMGLQSYULQJT-UHFFFAOYSA-N 0 0 556.663 3.799 50 0 KHAARN COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1 ZINC000101331213 554731961 /nfs/dbraw/zinc/73/19/61/554731961.db2.gz SWQYOFJPOOOCPS-UHFFFAOYSA-N 0 0 568.674 3.941 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000101331243 554731926 /nfs/dbraw/zinc/73/19/26/554731926.db2.gz HBEYNPASOKUVOM-UHFFFAOYSA-N 0 0 542.636 3.730 50 0 KHAARN O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)NCCc1ccccc1 ZINC000101331260 554732033 /nfs/dbraw/zinc/73/20/33/554732033.db2.gz KVZCKUPXKBUELH-UHFFFAOYSA-N 0 0 533.028 3.985 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCCc2ccccc2)c1=O ZINC000101331262 554732008 /nfs/dbraw/zinc/73/20/08/554732008.db2.gz NWEBSANIXZZOJZ-UHFFFAOYSA-N 0 0 563.054 3.993 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000101331280 554731949 /nfs/dbraw/zinc/73/19/49/554731949.db2.gz WICPWMVVMGHOKJ-UHFFFAOYSA-N 0 0 549.027 3.951 50 0 KHAARN COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccccc3Cl)c2=O)c1 ZINC000101331291 554732021 /nfs/dbraw/zinc/73/20/21/554732021.db2.gz RGSZPXJWXDHDTM-UHFFFAOYSA-N 0 0 579.053 3.959 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000101331329 554731966 /nfs/dbraw/zinc/73/19/66/554731966.db2.gz NSIOTQIPPGORRZ-UHFFFAOYSA-N 0 0 535.000 3.561 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000101331334 554731941 /nfs/dbraw/zinc/73/19/41/554731941.db2.gz XTSUVWGXTATYNG-UHFFFAOYSA-N 0 0 577.037 3.729 50 0 KHAARN COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3Cl)c2=O)cc(OC)c1 ZINC000101331337 554732011 /nfs/dbraw/zinc/73/20/11/554732011.db2.gz VRLAQSGNRYALOB-UHFFFAOYSA-N 0 0 565.026 3.569 50 0 KHAARN COc1cc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCc4ccccc4)cc3)c2=O)cc(OC)c1 ZINC000101331383 554732236 /nfs/dbraw/zinc/73/22/36/554732236.db2.gz YETISNNBQJGSGK-UHFFFAOYSA-N 0 0 592.652 3.710 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NC4CCCCC4)c3=O)cc2)cc1OC ZINC000101331418 554732189 /nfs/dbraw/zinc/73/21/89/554732189.db2.gz WLVOFPKDIZHQPU-UHFFFAOYSA-N 0 0 598.700 3.650 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NCCc4ccccc4)c3=O)cc2)cc1OC ZINC000101331421 554732183 /nfs/dbraw/zinc/73/21/83/554732183.db2.gz IFQVFKIIKJTHQC-UHFFFAOYSA-N 0 0 620.706 3.560 50 0 biogenic KHAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3)c2=O)c1 ZINC000101331422 554732169 /nfs/dbraw/zinc/73/21/69/554732169.db2.gz ZBJNYOPGPMWJGZ-UHFFFAOYSA-N 0 0 622.678 3.849 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccccc4F)c3=O)cc2)cc1OC ZINC000101331441 554732191 /nfs/dbraw/zinc/73/21/91/554732191.db2.gz LAQDIQYBNNGQPG-UHFFFAOYSA-N 0 0 610.642 3.979 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc3)c2=O)cc1 ZINC000101331450 554732163 /nfs/dbraw/zinc/73/21/63/554732163.db2.gz HBKKJOQIDSNVQM-UHFFFAOYSA-N 0 0 622.678 3.849 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccccc4)c3=O)cc2)cc1OC ZINC000101331454 554732161 /nfs/dbraw/zinc/73/21/61/554732161.db2.gz ALLQFPNJEAEAIF-UHFFFAOYSA-N 0 0 592.652 3.840 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4ccc(F)cc4)c3=O)cc2)cc1OC ZINC000101331461 554732205 /nfs/dbraw/zinc/73/22/05/554732205.db2.gz KMUZIMULDUMWOS-UHFFFAOYSA-N 0 0 610.642 3.979 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)Nc4cccc(F)c4)c3=O)cc2)cc1OC ZINC000101331471 554732223 /nfs/dbraw/zinc/73/22/23/554732223.db2.gz PHPKKKFKRQFESJ-UHFFFAOYSA-N 0 0 610.642 3.979 50 0 KHAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3Cl)c2=O)cc1 ZINC000101331666 554732541 /nfs/dbraw/zinc/73/25/41/554732541.db2.gz CZGBRQIRGJCAOR-UHFFFAOYSA-N 0 0 569.445 3.923 50 0 KHAARN Cc1cc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)ccc1Br ZINC000101331691 554732607 /nfs/dbraw/zinc/73/26/07/554732607.db2.gz KTSVXXUCBQGGGV-UHFFFAOYSA-N 0 0 567.440 3.953 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)c(C)c1 ZINC000101331697 554732575 /nfs/dbraw/zinc/73/25/75/554732575.db2.gz GGLUZCNMPATOOT-UHFFFAOYSA-N 0 0 536.588 3.990 50 0 KHAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000101331701 554732559 /nfs/dbraw/zinc/73/25/59/554732559.db2.gz SEBINQXMNJEPTR-UHFFFAOYSA-N 0 0 526.524 3.512 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc1 ZINC000101331705 554732603 /nfs/dbraw/zinc/73/26/03/554732603.db2.gz IISFGPIRRJUTTE-UHFFFAOYSA-N 0 0 580.597 3.550 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)cc1C ZINC000101331713 554732568 /nfs/dbraw/zinc/73/25/68/554732568.db2.gz VIVINUKFYKAWKW-UHFFFAOYSA-N 0 0 536.588 3.990 50 0 KHAARN O=C(Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2ccccc21)Nc1cccc(F)c1 ZINC000101331718 554732624 /nfs/dbraw/zinc/73/26/24/554732624.db2.gz WBXYSIZYLWEWOZ-UHFFFAOYSA-N 0 0 526.524 3.512 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)cc1 ZINC000101331748 554732601 /nfs/dbraw/zinc/73/26/01/554732601.db2.gz LWRKLAWTJJXZLJ-UHFFFAOYSA-N 0 0 568.674 3.976 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)cc1OC ZINC000101331760 554732542 /nfs/dbraw/zinc/73/25/42/554732542.db2.gz ZNHMCVJUYIACJA-UHFFFAOYSA-N 0 0 598.700 3.984 50 0 KHAARN COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)c1 ZINC000101331764 554732799 /nfs/dbraw/zinc/73/27/99/554732799.db2.gz YUIVSFOFLCKUQR-UHFFFAOYSA-N 0 0 598.700 3.984 50 0 KHAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CC3CCC(C(=O)NCCc4ccccc4)CC3)c2=O)c1 ZINC000101331769 554732886 /nfs/dbraw/zinc/73/28/86/554732886.db2.gz IKZVFIKNLZZYNB-UHFFFAOYSA-N 0 0 568.674 3.976 50 0 KHAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2Cl)c1=O)NCCc1ccccc1 ZINC000101331855 554732879 /nfs/dbraw/zinc/73/28/79/554732879.db2.gz CPDQGOZMXAMEST-UHFFFAOYSA-N 0 0 539.419 3.858 50 0 KHAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCCc2ccccc2)c1=O ZINC000101331856 554732875 /nfs/dbraw/zinc/73/28/75/554732875.db2.gz SHJRBRKAFSNGMX-UHFFFAOYSA-N 0 0 549.027 3.521 50 0 KHAARN CC[C@@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c1=O ZINC000101331866 554732848 /nfs/dbraw/zinc/73/28/48/554732848.db2.gz VVWBYEALQFPYAU-LJQANCHMSA-N 0 0 533.028 3.710 50 0 KHAARN CC[C@H](C)NC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)c1=O ZINC000101331869 554732866 /nfs/dbraw/zinc/73/28/66/554732866.db2.gz VVWBYEALQFPYAU-IBGZPJMESA-N 0 0 533.028 3.710 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccccc3Cl)c2=O)cc1 ZINC000101332009 554732895 /nfs/dbraw/zinc/73/28/95/554732895.db2.gz NLWRMUPPZLXONK-UHFFFAOYSA-N 0 0 533.028 3.538 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccc(C)cc2)c1=O ZINC000101332039 554732987 /nfs/dbraw/zinc/73/29/87/554732987.db2.gz LHZRKIJQYOSFBU-UHFFFAOYSA-N 0 0 549.027 3.869 50 0 KHAARN COc1cc(OC)c(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccc(C)cc3)c2=O)cc1Cl ZINC000101332047 554732998 /nfs/dbraw/zinc/73/29/98/554732998.db2.gz HMMGURJUPGNSMB-UHFFFAOYSA-N 0 0 579.053 3.878 50 0 KHAARN Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1 ZINC000101332048 554732949 /nfs/dbraw/zinc/73/29/49/554732949.db2.gz QDWXGUJCRSVPEB-UHFFFAOYSA-N 0 0 563.452 3.969 50 0 KHAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3Cl)c2=O)cc1 ZINC000101332060 554732984 /nfs/dbraw/zinc/73/29/84/554732984.db2.gz PASRFXHNCDKOAO-UHFFFAOYSA-N 0 0 569.445 3.923 50 0 KHAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)c2=O)cc1OC ZINC000101332074 554733018 /nfs/dbraw/zinc/73/30/18/554733018.db2.gz JKIWOAQJTQDTDA-UHFFFAOYSA-N 0 0 620.706 3.826 50 0 KHAARN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1 ZINC000101332131 554733023 /nfs/dbraw/zinc/73/30/23/554733023.db2.gz GKAHJILTNNSALH-UHFFFAOYSA-N 0 0 578.028 3.851 50 0 KHAARN Cc1cccc2nc(Cn3c4ccccc4c(=O)n(CC4CCC(C(=O)NCCc5ccccc5)CC4)c3=O)cc(=O)n12 ZINC000101332163 554733278 /nfs/dbraw/zinc/73/32/78/554733278.db2.gz XZZGVLNFPOFAPW-UHFFFAOYSA-N 0 0 577.685 3.693 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1C ZINC000101332246 554733272 /nfs/dbraw/zinc/73/32/72/554733272.db2.gz XNLRWLBLIFIOBI-UHFFFAOYSA-N 0 0 536.588 3.860 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1 ZINC000101332264 554733281 /nfs/dbraw/zinc/73/32/81/554733281.db2.gz WXGAMPJOCKGUKB-UHFFFAOYSA-N 0 0 552.587 3.642 50 0 KHAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)cc1 ZINC000101332266 554733259 /nfs/dbraw/zinc/73/32/59/554733259.db2.gz CLVYZEPVJIVPMI-UHFFFAOYSA-N 0 0 536.588 3.805 50 0 KHAARN COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c(=O)c3ccccc32)cc1Cl ZINC000101332271 554733286 /nfs/dbraw/zinc/73/32/86/554733286.db2.gz PRDQJBITHPQLGS-UHFFFAOYSA-N 0 0 573.005 3.905 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)c(C)c1 ZINC000101332272 554733435 /nfs/dbraw/zinc/73/34/35/554733435.db2.gz VZPXBOPMSURRMB-UHFFFAOYSA-N 0 0 536.588 3.860 50 0 KHAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCc4ccccc4)cc3)c2=O)cc1 ZINC000101332274 554733454 /nfs/dbraw/zinc/73/34/54/554733454.db2.gz ZQEBPUHWEFXEPH-UHFFFAOYSA-N 0 0 562.626 3.701 50 0 KHAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3)c2=O)cc1)NCCc1ccccc1 ZINC000101332278 554733461 /nfs/dbraw/zinc/73/34/61/554733461.db2.gz CHGCYZOXIVSHIY-UHFFFAOYSA-N 0 0 532.600 3.693 50 0 KHAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1)NCCc1ccccc1 ZINC000101332284 554733413 /nfs/dbraw/zinc/73/34/13/554733413.db2.gz XKSAFQVOEVPDJU-UHFFFAOYSA-N 0 0 550.590 3.832 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCc4ccccc4)cc3)c2=O)cc1 ZINC000101332287 554733475 /nfs/dbraw/zinc/73/34/75/554733475.db2.gz MMFREHPBQOGWSD-UHFFFAOYSA-N 0 0 604.663 3.869 50 0 KHAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1)NCCc1ccccc1 ZINC000101332297 554733399 /nfs/dbraw/zinc/73/33/99/554733399.db2.gz QDOFBIVUZALBBI-UHFFFAOYSA-N 0 0 550.590 3.832 50 0 KHAARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCCc4ccccc4)cc3)c2=O)c1 ZINC000101332302 554733405 /nfs/dbraw/zinc/73/34/05/554733405.db2.gz UANQGCAWOYANKC-UHFFFAOYSA-N 0 0 562.626 3.701 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(Cc3ccccc3Cl)c2=O)cc1 ZINC000101332391 554733471 /nfs/dbraw/zinc/73/34/71/554733471.db2.gz QYABTCQIDVXLFL-UHFFFAOYSA-N 0 0 551.983 3.698 50 0 KHAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 ZINC000101332582 554733671 /nfs/dbraw/zinc/73/36/71/554733671.db2.gz BZEPLBJFMUNZHQ-UHFFFAOYSA-N 0 0 549.027 3.578 50 0 KHAARN O=C(Cn1c(=O)n(CCCS(=O)(=O)C2CCCCC2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1F ZINC000101332651 554733711 /nfs/dbraw/zinc/73/37/11/554733711.db2.gz PDOXUZLAINFYKO-UHFFFAOYSA-N 0 0 536.025 3.732 50 0 KHAARN O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O)Nc1ccccc1C(F)(F)F ZINC000101332720 554733684 /nfs/dbraw/zinc/73/36/84/554733684.db2.gz SDNQHCSGEGVIDK-QFIPXVFZSA-N 0 0 594.590 3.972 50 0 KHAARN O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O)Nc1ccccc1C(F)(F)F ZINC000101332722 554733686 /nfs/dbraw/zinc/73/36/86/554733686.db2.gz SDNQHCSGEGVIDK-JOCHJYFZSA-N 0 0 594.590 3.972 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000101332744 554733663 /nfs/dbraw/zinc/73/36/63/554733663.db2.gz NPOHMNIJBZSDLZ-VWLOTQADSA-N 0 0 554.647 3.516 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000101332747 554733652 /nfs/dbraw/zinc/73/36/52/554733652.db2.gz NPOHMNIJBZSDLZ-RUZDIDTESA-N 0 0 554.647 3.516 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000101332750 554733676 /nfs/dbraw/zinc/73/36/76/554733676.db2.gz OQBQDVQFVCYKSF-DEOSSOPVSA-N 0 0 575.065 3.915 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000101332752 554733707 /nfs/dbraw/zinc/73/37/07/554733707.db2.gz OQBQDVQFVCYKSF-XMMPIXPASA-N 0 0 575.065 3.915 50 0 KHAARN O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O)Nc1ccc(Br)cc1 ZINC000101332762 554733843 /nfs/dbraw/zinc/73/38/43/554733843.db2.gz UVZVBMJWMVCAFU-DEOSSOPVSA-N 0 0 605.489 3.716 50 0 KHAARN O=C(Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O)Nc1ccc(Br)cc1 ZINC000101332764 554733893 /nfs/dbraw/zinc/73/38/93/554733893.db2.gz UVZVBMJWMVCAFU-XMMPIXPASA-N 0 0 605.489 3.716 50 0 KHAARN O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccc(F)c(Cl)c1 ZINC000101332769 554733910 /nfs/dbraw/zinc/73/39/10/554733910.db2.gz BKAACQPPVDVBBT-QFIPXVFZSA-N 0 0 579.028 3.746 50 0 KHAARN O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccc(F)c(Cl)c1 ZINC000101332774 554733862 /nfs/dbraw/zinc/73/38/62/554733862.db2.gz BKAACQPPVDVBBT-JOCHJYFZSA-N 0 0 579.028 3.746 50 0 KHAARN CCN(Cc1ccccc1)C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000101332780 554733895 /nfs/dbraw/zinc/73/38/95/554733895.db2.gz AZWVAGPMOMCTRF-UHFFFAOYSA-N 0 0 564.642 3.826 50 0 KHAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccccc1F ZINC000101332787 554733883 /nfs/dbraw/zinc/73/38/83/554733883.db2.gz RLJHWDBAKYAIMG-UHFFFAOYSA-N 0 0 540.551 3.555 50 0 KHAARN O=S(=O)(c1ccc(-c2csc(-c3nc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cs3)n2)cc1)N1CCOCC1 ZINC000101334254 554733915 /nfs/dbraw/zinc/73/39/15/554733915.db2.gz OURXCJVBJJORJJ-UHFFFAOYSA-N 0 0 618.784 3.642 50 0 KHAARN COc1ccc2nc(NC(=O)Cn3cc(S(=O)(=O)N4CCC(C)CC4)c4ccccc4c3=O)sc2c1 ZINC000101334776 554734063 /nfs/dbraw/zinc/73/40/63/554734063.db2.gz ZEHZNICTWFVXIA-UHFFFAOYSA-N 0 0 526.640 3.679 50 0 KHAARN COc1ccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000101336264 554734284 /nfs/dbraw/zinc/73/42/84/554734284.db2.gz LBTVKRBOIFBQGZ-RRWMQESRSA-N 0 0 527.552 3.858 50 0 KHAARN COc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1OC ZINC000101339809 554735080 /nfs/dbraw/zinc/73/50/80/554735080.db2.gz LFKQNXJFNHFTAW-UHFFFAOYSA-N 0 0 545.521 3.971 50 0 KHAARN COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000101340201 554735049 /nfs/dbraw/zinc/73/50/49/554735049.db2.gz KIFIUEXRZRTETC-QGZVFWFLSA-N 0 0 523.430 3.826 50 0 KHAARN COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000101340203 554735100 /nfs/dbraw/zinc/73/51/00/554735100.db2.gz KIFIUEXRZRTETC-KRWDZBQOSA-N 0 0 523.430 3.826 50 0 KHAARN COC(=O)c1ccccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000101343096 554736090 /nfs/dbraw/zinc/73/60/90/554736090.db2.gz JHCQDXIUCNARGN-FICKONGGSA-N 0 0 538.556 3.889 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCCN3CCOCC3)c2)C[C@H](C)O1 ZINC000101345825 554737286 /nfs/dbraw/zinc/73/72/86/554737286.db2.gz ZETMWYUPFHKMJM-RZQSZUFZSA-N 0 0 556.754 3.969 50 0 KHAARN C[C@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCCN3CCOCC3)c2)C[C@H](C)O1 ZINC000101345827 554737337 /nfs/dbraw/zinc/73/73/37/554737337.db2.gz ZETMWYUPFHKMJM-MYJZRRDVSA-N 0 0 556.754 3.969 50 0 KHAARN C[C@@H]1CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3CCCN3CCOCC3)c2)C[C@@H](C)O1 ZINC000101345828 554737296 /nfs/dbraw/zinc/73/72/96/554737296.db2.gz ZETMWYUPFHKMJM-NRKQSIPESA-N 0 0 556.754 3.969 50 0 KHAARN Cc1c(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(=O)n(-c2ccccc2)n1C ZINC000101351234 554738055 /nfs/dbraw/zinc/73/80/55/554738055.db2.gz KBOIHPUWFBHEGY-UHFFFAOYSA-N 0 0 539.573 3.634 50 0 KHAARN COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)n2)cc1 ZINC000101351703 554738297 /nfs/dbraw/zinc/73/82/97/554738297.db2.gz PENJKNWNRIFMGL-UHFFFAOYSA-N 0 0 548.688 3.937 50 0 KHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000101354047 554739193 /nfs/dbraw/zinc/73/91/93/554739193.db2.gz DHKNTZDIWWGDDP-UHFFFAOYSA-N 0 0 529.380 3.914 50 0 KHAARN Cc1cc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)ccc1Br ZINC000101354048 554739181 /nfs/dbraw/zinc/73/91/81/554739181.db2.gz TUZDAGRSUCCLAT-UHFFFAOYSA-N 0 0 553.413 3.678 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c(Br)c1 ZINC000101354050 554739168 /nfs/dbraw/zinc/73/91/68/554739168.db2.gz XVTCLCUBBXBWJH-UHFFFAOYSA-N 0 0 553.413 3.678 50 0 KHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(Br)cc1F ZINC000101354080 554739185 /nfs/dbraw/zinc/73/91/85/554739185.db2.gz BDLARLQZTZIZTM-UHFFFAOYSA-N 0 0 557.376 3.509 50 0 KHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccccc1C(F)(F)F ZINC000101354092 554739166 /nfs/dbraw/zinc/73/91/66/554739166.db2.gz OVRPPLSQEGSKFY-UHFFFAOYSA-N 0 0 528.487 3.626 50 0 KHAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101354098 554739197 /nfs/dbraw/zinc/73/91/97/554739197.db2.gz PSYNNOSUTSFVPD-UHFFFAOYSA-N 0 0 528.487 3.626 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1OC ZINC000101354629 554739452 /nfs/dbraw/zinc/73/94/52/554739452.db2.gz DTAIASZERVEQAP-VWLOTQADSA-N 0 0 556.685 3.701 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1OC ZINC000101354630 554739404 /nfs/dbraw/zinc/73/94/04/554739404.db2.gz DTAIASZERVEQAP-RUZDIDTESA-N 0 0 556.685 3.701 50 0 KHAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101356596 554740301 /nfs/dbraw/zinc/74/03/01/554740301.db2.gz LZHLGIKTCPUDAQ-UHFFFAOYSA-N 0 0 534.620 3.997 50 0 KHAARN COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1OC ZINC000101357496 554740636 /nfs/dbraw/zinc/74/06/36/554740636.db2.gz JDQRVKYNUPZLIE-DEOSSOPVSA-N 0 0 556.685 3.701 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1OC ZINC000101357498 554740619 /nfs/dbraw/zinc/74/06/19/554740619.db2.gz JDQRVKYNUPZLIE-XMMPIXPASA-N 0 0 556.685 3.701 50 0 KHAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101359175 554741518 /nfs/dbraw/zinc/74/15/18/554741518.db2.gz QYFZWYARDNNLLA-UHFFFAOYSA-N 0 0 536.579 3.832 50 0 KHAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)c3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000101360039 554741982 /nfs/dbraw/zinc/74/19/82/554741982.db2.gz OCNRXFOQKSFYBZ-UHFFFAOYSA-N 0 0 536.579 3.832 50 0 KHAARN CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)C2(C(=O)OC3(CCCCC3)OC2=O)[C@H]2c3ccccc3C=NN21 ZINC000101360638 554742278 /nfs/dbraw/zinc/74/22/78/554742278.db2.gz GCOAZBKRJLGGAY-CCDWMCETSA-N 0 0 548.592 3.870 50 0 KHAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000101360843 554742553 /nfs/dbraw/zinc/74/25/53/554742553.db2.gz IOLYBOBDGFRHLU-UHFFFAOYSA-N 0 0 528.020 3.622 50 0 KHAARN CCOc1ccn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 ZINC000101361982 554743281 /nfs/dbraw/zinc/74/32/81/554743281.db2.gz BKKXTJSPNFZTMN-CPKBAGSISA-N 0 0 584.581 3.848 50 0 KHAARN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 ZINC000101362189 554743271 /nfs/dbraw/zinc/74/32/71/554743271.db2.gz FMUHXTGQQOTBEC-UHFFFAOYSA-N 0 0 528.020 3.622 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)ccc21 ZINC000101377773 554747104 /nfs/dbraw/zinc/74/71/04/554747104.db2.gz ICKRGSWXPJXGCP-SANMLTNESA-N 0 0 529.618 3.570 50 0 KHAARN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)ccc21 ZINC000101377781 554747052 /nfs/dbraw/zinc/74/70/52/554747052.db2.gz ICKRGSWXPJXGCP-AREMUKBSSA-N 0 0 529.618 3.570 50 0 KHAARN Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(CC(=O)Nc1ccc(Cl)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000101377818 554747086 /nfs/dbraw/zinc/74/70/86/554747086.db2.gz LIVUYRKELWMQPS-UHFFFAOYSA-N 0 0 593.109 3.886 50 0 KHAARN Cc1c2c(cc(=O)n1N1CCOCC1)n(CC(=O)Nc1ccc(Cl)c(Cl)c1)n(-c1nc3ccccc3s1)c2=O ZINC000101378134 554747316 /nfs/dbraw/zinc/74/73/16/554747316.db2.gz RIIJLXHORMLVQJ-UHFFFAOYSA-N 0 0 585.473 3.786 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCN(C)CC5)o4)c(=O)n32)cc1 ZINC000101381485 554748553 /nfs/dbraw/zinc/74/85/53/554748553.db2.gz WVDBOWMWAJGJJI-UOOXJCEYSA-N 0 0 583.714 3.617 50 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O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccccc1 ZINC000101385220 554749207 /nfs/dbraw/zinc/74/92/07/554749207.db2.gz QQYODJKJETYBNR-HHHXNRCGSA-N 0 0 580.714 3.824 50 0 KHAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccccc1 ZINC000101385224 554749195 /nfs/dbraw/zinc/74/91/95/554749195.db2.gz QQYODJKJETYBNR-MHZLTWQESA-N 0 0 580.714 3.824 50 0 KHAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc(F)cc1 ZINC000101385256 554749417 /nfs/dbraw/zinc/74/94/17/554749417.db2.gz ZZUVVWWDUXWKEU-HHHXNRCGSA-N 0 0 598.704 3.963 50 0 KHAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc(F)cc1 ZINC000101385262 554749434 /nfs/dbraw/zinc/74/94/34/554749434.db2.gz ZZUVVWWDUXWKEU-MHZLTWQESA-N 0 0 598.704 3.963 50 0 KHAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NC1CCCCC1 ZINC000101385420 554749456 /nfs/dbraw/zinc/74/94/56/554749456.db2.gz GXSAZTUASRRZDG-RUZDIDTESA-N 0 0 558.708 3.566 50 0 KHAARN 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0 0 568.674 3.879 50 0 KHAARN Cc1cccc(C)c1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@@H]2CCCO2)c1=O ZINC000101432887 554771460 /nfs/dbraw/zinc/77/14/60/554771460.db2.gz SDOGTRMUTQGNHM-VWLOTQADSA-N 0 0 554.647 3.570 50 0 KHAARN Cc1cccc(C)c1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(C[C@H]2CCCO2)c1=O ZINC000101432891 554771434 /nfs/dbraw/zinc/77/14/34/554771434.db2.gz SDOGTRMUTQGNHM-RUZDIDTESA-N 0 0 554.647 3.570 50 0 KHAARN O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(C(=O)NCCc3ccccc3)cc21)Nc1ccc(F)cc1 ZINC000101432947 554771463 /nfs/dbraw/zinc/77/14/63/554771463.db2.gz YTTNTQPPWMCCCP-UHFFFAOYSA-N 0 0 540.551 3.555 50 0 KHAARN COc1ccc(C(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000101432955 554771630 /nfs/dbraw/zinc/77/16/30/554771630.db2.gz YLNSOONYMLMKQE-UHFFFAOYSA-N 0 0 537.572 3.669 50 0 KHAARN CN(C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)C1CCCCC1 ZINC000101432981 554771612 /nfs/dbraw/zinc/77/16/12/554771612.db2.gz MOEXPWWBANOSFX-UHFFFAOYSA-N 0 0 542.636 3.568 50 0 KHAARN CCOc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000101432998 554771608 /nfs/dbraw/zinc/77/16/08/554771608.db2.gz FKVFWFDMUWKJPW-UHFFFAOYSA-N 0 0 566.614 3.814 50 0 KHAARN CCN(C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)c1ccccc1 ZINC000101433002 554771599 /nfs/dbraw/zinc/77/15/99/554771599.db2.gz WMXBRJLDULZGSP-UHFFFAOYSA-N 0 0 550.615 3.830 50 0 KHAARN Cc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000101433012 554771625 /nfs/dbraw/zinc/77/16/25/554771625.db2.gz WFTJXZOCHHEECN-UHFFFAOYSA-N 0 0 536.588 3.724 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000101433025 554771589 /nfs/dbraw/zinc/77/15/89/554771589.db2.gz ISYZRWUZISYPMZ-UHFFFAOYSA-N 0 0 594.624 3.592 50 0 KHAARN Cc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000101433029 554771652 /nfs/dbraw/zinc/77/16/52/554771652.db2.gz FBAPQQWJLUBYSH-UHFFFAOYSA-N 0 0 536.588 3.724 50 0 KHAARN CCc1ccccc1NC(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000101433034 554771602 /nfs/dbraw/zinc/77/16/02/554771602.db2.gz GCBRSAGXYDLYNZ-UHFFFAOYSA-N 0 0 550.615 3.978 50 0 KHAARN CCOc1ccc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)cc1 ZINC000101433039 554771570 /nfs/dbraw/zinc/77/15/70/554771570.db2.gz VIUJEBXBSJKJQU-UHFFFAOYSA-N 0 0 566.614 3.814 50 0 KHAARN CCOc1ccc(NC(=O)CCNC(=O)c2nc(S(=O)(=O)Cc3ccccc3Cl)ncc2Cl)cc1 ZINC000101435987 554772108 /nfs/dbraw/zinc/77/21/08/554772108.db2.gz YQPQAGNBJVHJEG-UHFFFAOYSA-N 0 0 537.425 3.915 50 0 KHAARN COc1ccc(NC(=O)CCNC(=O)c2nc(S(=O)(=O)Cc3ccccc3Cl)ncc2Cl)cc1 ZINC000101437801 554772244 /nfs/dbraw/zinc/77/22/44/554772244.db2.gz KBCNGFXQGOFPOE-UHFFFAOYSA-N 0 0 523.398 3.525 50 0 KHAARN COc1ccc(NC(=O)CCc2c(C)nc3nc(CNC(=O)c4ccc(Br)o4)nn3c2C)cc1OC ZINC000101438421 554772248 /nfs/dbraw/zinc/77/22/48/554772248.db2.gz RLCPPKYQFYWFGI-UHFFFAOYSA-N 0 0 557.405 3.615 50 0 KHAARN COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N3[C@H]2c2cccc(OC)c2)cc1 ZINC000101440052 554772673 /nfs/dbraw/zinc/77/26/73/554772673.db2.gz DHZJSBAYGONJLZ-NDEPHWFRSA-N 0 0 575.691 3.998 50 0 KHAARN COc1ccc(NC(=O)C2=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N3[C@@H]2c2cccc(OC)c2)cc1 ZINC000101440054 554772714 /nfs/dbraw/zinc/77/27/14/554772714.db2.gz DHZJSBAYGONJLZ-MUUNZHRXSA-N 0 0 575.691 3.998 50 0 KHAARN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1 ZINC000101440056 554772689 /nfs/dbraw/zinc/77/26/89/554772689.db2.gz QEQRPZYVZCYWOI-MHZLTWQESA-N 0 0 545.665 3.990 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)c1 ZINC000101440060 554772657 /nfs/dbraw/zinc/77/26/57/554772657.db2.gz QEQRPZYVZCYWOI-HHHXNRCGSA-N 0 0 545.665 3.990 50 0 KHAARN CCC1=C(C(=O)OC)[C@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440227 554772944 /nfs/dbraw/zinc/77/29/44/554772944.db2.gz JNTRITHNLBOSNL-QFIPXVFZSA-N 0 0 536.576 3.924 50 0 KHAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440229 554772950 /nfs/dbraw/zinc/77/29/50/554772950.db2.gz JNTRITHNLBOSNL-JOCHJYFZSA-N 0 0 536.576 3.924 50 0 KHAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440242 554772914 /nfs/dbraw/zinc/77/29/14/554772914.db2.gz VPZIMVNSGJBUFI-QFIPXVFZSA-N 0 0 503.024 3.559 50 0 KHAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)N2C(CC(=O)N3CCN(C(C)=O)CC3)=CSC2=N1 ZINC000101440244 554772908 /nfs/dbraw/zinc/77/29/08/554772908.db2.gz VPZIMVNSGJBUFI-JOCHJYFZSA-N 0 0 503.024 3.559 50 0 KHAARN O=C(OCN1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000101440579 554772877 /nfs/dbraw/zinc/77/28/77/554772877.db2.gz MHXGZJYLAVTOMM-UHFFFAOYSA-N 0 0 530.908 3.556 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCN(c4ccccn4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440832 554773208 /nfs/dbraw/zinc/77/32/08/554773208.db2.gz CCAFYCOKMRGTPY-UHFFFAOYSA-N 0 0 529.000 3.897 50 0 KHAARN COc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101441028 554773151 /nfs/dbraw/zinc/77/31/51/554773151.db2.gz BRCLPJSQZYZKKV-UHFFFAOYSA-N 0 0 545.983 3.731 50 0 KHAARN CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(C)cc(N4CCN(c5ccccc5F)CC4)n3)c2)CC1 ZINC000101441034 554773077 /nfs/dbraw/zinc/77/30/77/554773077.db2.gz FUYWSONLVKEBPQ-UHFFFAOYSA-N 0 0 548.688 3.847 50 0 KHAARN CC(=O)N1CCN(C(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NC(=O)Cc3c(F)cccc3Cl)c2)CC1 ZINC000101441064 554773175 /nfs/dbraw/zinc/77/31/75/554773175.db2.gz UELZODCMPRHQMH-GGAORHGYSA-N 0 0 606.098 3.750 50 0 KHAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc(C(F)(F)F)cc3)Cc3ccc4c(c3)OCO4)n2)CC1 ZINC000101441925 554773380 /nfs/dbraw/zinc/77/33/80/554773380.db2.gz HWCHHAXYAUPXLZ-UHFFFAOYSA-N 0 0 544.530 3.929 50 0 KHAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCc2ccco2)c2ccccc21 ZINC000101442844 554773582 /nfs/dbraw/zinc/77/35/82/554773582.db2.gz MNQLXQXXHUFOFH-HMAPJEAMSA-N 0 0 527.002 3.630 50 0 KHAARN COc1ccc(CCNC(=O)/C(=C/c2cn(S(=O)(=O)N(C)C)c3ccccc23)NC(=O)c2ccc(C)cc2)cc1OC ZINC000101445671 554773772 /nfs/dbraw/zinc/77/37/72/554773772.db2.gz LIVFPOVUTOLLPR-XHPQRKPJSA-N 0 0 590.702 3.751 50 0 KHAARN COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 ZINC000101445675 554773770 /nfs/dbraw/zinc/77/37/70/554773770.db2.gz QPJSLMKKOXOXKQ-IMRQLAEWSA-N 0 0 585.686 3.916 50 0 KHAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCc2c[nH]c3ccccc23)cc1OC ZINC000101445683 554773989 /nfs/dbraw/zinc/77/39/89/554773989.db2.gz VVCNPUUCRTZCGG-PKAZHMFMSA-N 0 0 615.712 3.924 50 0 biogenic KHAARN COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCN(C(C)=O)C4)cc1 ZINC000101447576 554774353 /nfs/dbraw/zinc/77/43/53/554774353.db2.gz AJORVHNFRGEUQD-UHFFFAOYSA-N 0 0 548.690 3.828 50 0 KHAARN COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C(C)=O)C4)cc1 ZINC000101447585 554774328 /nfs/dbraw/zinc/77/43/28/554774328.db2.gz XIRKKVZBLSCIJR-UHFFFAOYSA-N 0 0 534.663 3.769 50 0 KHAARN COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1 ZINC000101447781 554774494 /nfs/dbraw/zinc/77/44/94/554774494.db2.gz YVLQNRCHSAODFM-UHFFFAOYSA-N 0 0 524.624 3.743 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCN(C(C)=O)C4)cc1 ZINC000101447794 554774767 /nfs/dbraw/zinc/77/47/67/554774767.db2.gz GSGKQNYDTRNOGN-IBGZPJMESA-N 0 0 542.683 3.671 50 0 KHAARN CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCN(C(C)=O)C4)cc1 ZINC000101447798 554774783 /nfs/dbraw/zinc/77/47/83/554774783.db2.gz GSGKQNYDTRNOGN-LJQANCHMSA-N 0 0 542.683 3.671 50 0 KHAARN COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)c1 ZINC000101447844 554774793 /nfs/dbraw/zinc/77/47/93/554774793.db2.gz XTXOITDPJCOZBB-UHFFFAOYSA-N 0 0 524.624 3.743 50 0 KHAARN COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCN(C(C)=O)C3 ZINC000101447879 554774779 /nfs/dbraw/zinc/77/47/79/554774779.db2.gz IPVCZLJVSCHTDM-UHFFFAOYSA-N 0 0 524.624 3.743 50 0 KHAARN COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cc(Br)ccc3OC)c(C)o2)cc1 ZINC000101448327 554774959 /nfs/dbraw/zinc/77/49/59/554774959.db2.gz PXHBYBFAWRTYNN-UHFFFAOYSA-N 0 0 523.405 3.661 50 0 KHAARN CCn1cc(C(=O)NCCCN2CCN(c3ccccc3F)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448394 554774864 /nfs/dbraw/zinc/77/48/64/554774864.db2.gz JYUDSXBFMXZXLH-UHFFFAOYSA-N 0 0 631.774 3.850 50 0 KHAARN CCn1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448423 554774940 /nfs/dbraw/zinc/77/49/40/554774940.db2.gz SEZDRZFTNORQPX-UHFFFAOYSA-N 0 0 634.202 3.974 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 ZINC000101448901 554775136 /nfs/dbraw/zinc/77/51/36/554775136.db2.gz GFPZBUPBJIQRGQ-UHFFFAOYSA-N 0 0 532.382 3.888 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)cc21 ZINC000101448904 554775161 /nfs/dbraw/zinc/77/51/61/554775161.db2.gz TVGPHRCCUBCSPU-VWLOTQADSA-N 0 0 594.487 3.942 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCc4ccccc4[C@H]3CN3C(=O)c4ccccc4C3=O)cc21 ZINC000101448905 554775163 /nfs/dbraw/zinc/77/51/63/554775163.db2.gz TVGPHRCCUBCSPU-RUZDIDTESA-N 0 0 594.487 3.942 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCCCc4ccccc4)n(Cc4ccco4)c(=O)c32)C1 ZINC000101452535 554775672 /nfs/dbraw/zinc/77/56/72/554775672.db2.gz ZATAQTWXNORMCO-UHFFFAOYSA-N 0 0 536.679 3.845 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(Cc4ccccc4)c(=O)c32)C1 ZINC000101452537 554775651 /nfs/dbraw/zinc/77/56/51/554775651.db2.gz ZNJFKQOQCWPKLF-UHFFFAOYSA-N 0 0 532.691 3.862 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000101452567 554775655 /nfs/dbraw/zinc/77/56/55/554775655.db2.gz KTAIGBMBTFCKGH-KRWDZBQOSA-N 0 0 533.075 3.926 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000101452569 554775683 /nfs/dbraw/zinc/77/56/83/554775683.db2.gz KTAIGBMBTFCKGH-QGZVFWFLSA-N 0 0 533.075 3.926 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c(F)c4)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000101452580 554775804 /nfs/dbraw/zinc/77/58/04/554775804.db2.gz WSJVUASRXYEFJC-HNNXBMFYSA-N 0 0 534.610 3.551 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)c(F)c4)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000101452582 554775856 /nfs/dbraw/zinc/77/58/56/554775856.db2.gz WSJVUASRXYEFJC-OAHLLOKOSA-N 0 0 534.610 3.551 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4F)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000101452595 554775787 /nfs/dbraw/zinc/77/57/87/554775787.db2.gz UEXPTHUIBOMFIY-HNNXBMFYSA-N 0 0 534.610 3.551 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccc(F)cc4F)n(C[C@H]4CCCO4)c(=O)c32)C1 ZINC000101452598 554775833 /nfs/dbraw/zinc/77/58/33/554775833.db2.gz UEXPTHUIBOMFIY-OAHLLOKOSA-N 0 0 534.610 3.551 50 0 KHAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4ccccc4Cl)n(C[C@@H]4CCCO4)c(=O)c32)C1 ZINC000101452615 554775830 /nfs/dbraw/zinc/77/58/30/554775830.db2.gz OAVRKYWJAZMSDK-HNNXBMFYSA-N 0 0 533.075 3.926 50 0 KHAARN 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O=C(CSc1ncc(S(=O)(=O)c2cccc(Cl)c2)c(=O)[nH]1)Nc1ccc(Br)cc1 ZINC000101511643 554792927 /nfs/dbraw/zinc/79/29/27/554792927.db2.gz WNKPDQPYYGTRLH-UHFFFAOYSA-N 0 0 514.810 3.749 50 0 KHAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1cccc(Cl)c1 ZINC000101511665 554792857 /nfs/dbraw/zinc/79/28/57/554792857.db2.gz GHZREHKVZZWCQV-UHFFFAOYSA-N 0 0 514.810 3.749 50 0 KHAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccccc1Br ZINC000101511685 554792951 /nfs/dbraw/zinc/79/29/51/554792951.db2.gz BBJYNPDWNKJWDP-UHFFFAOYSA-N 0 0 559.261 3.859 50 0 KHAARN O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1)Nc1ccc(Br)cc1 ZINC000101511687 554792932 /nfs/dbraw/zinc/79/29/32/554792932.db2.gz WAMQPSDAEIQJAJ-UHFFFAOYSA-N 0 0 559.261 3.859 50 0 KHAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[nH]c2=O)cc1Cl ZINC000101511762 554792869 /nfs/dbraw/zinc/79/28/69/554792869.db2.gz VJGDLPCYHMYDBW-UHFFFAOYSA-N 0 0 544.836 3.758 50 0 KHAARN COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[nH]c2=O)cc1Cl 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/nfs/dbraw/zinc/79/76/66/554797666.db2.gz IQCANBRFCZMRTB-RUZDIDTESA-N 0 0 525.403 3.553 50 0 KHAARN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)CC3)s2)cc1 ZINC000101575746 554799008 /nfs/dbraw/zinc/79/90/08/554799008.db2.gz DRUGBJDMRITTDA-UHFFFAOYSA-N 0 0 609.778 3.562 50 0 KHAARN COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101577875 554799239 /nfs/dbraw/zinc/79/92/39/554799239.db2.gz UDGWDMQPNLISBW-UHFFFAOYSA-N 0 0 580.663 3.841 50 0 KHAARN CSc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)N3CCC[C@H](C(=O)NCCc4ccc(SC)cc4)C3)C2)cc1 ZINC000101586952 554801670 /nfs/dbraw/zinc/80/16/70/554801670.db2.gz SIVZCGMZMUGWCY-UIOOFZCWSA-N 0 0 618.891 3.817 50 0 KHAARN CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(CCc4ccccc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101589634 554801651 /nfs/dbraw/zinc/80/16/51/554801651.db2.gz INPYUMODYYMMGD-HPQIJTKRSA-N 0 0 506.558 3.923 50 0 KHAARN CC(=O)Oc1ccc(C(=O)C2=C3C(O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1 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CCN(CC)C(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCc3ccc(F)cc3)C4=O)CC2)C1 ZINC000101601344 554803879 /nfs/dbraw/zinc/80/38/79/554803879.db2.gz DXQSLKRVSLVJSY-XMMPIXPASA-N 0 0 562.686 3.988 50 0 KHAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCc3ccc(F)cc3)C4=O)CC2)C1 ZINC000101601348 554803884 /nfs/dbraw/zinc/80/38/84/554803884.db2.gz DXQSLKRVSLVJSY-DEOSSOPVSA-N 0 0 562.686 3.988 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)c4ccco4)CC3)nn2)cc1OC ZINC000101603077 554804832 /nfs/dbraw/zinc/80/48/32/554804832.db2.gz JBSFTMCIZAZBAE-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)c4ccco4)CC3)nn2)cc1OC ZINC000101603269 554804850 /nfs/dbraw/zinc/80/48/50/554804850.db2.gz GNGYHZKTKZXWIF-UHFFFAOYSA-N 0 0 541.608 3.745 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(OC)cc4)nn3)CC2)Cc2ccco2)cc1 ZINC000101603490 554804800 /nfs/dbraw/zinc/80/48/00/554804800.db2.gz WZJVYLVDKRLFIO-UHFFFAOYSA-N 0 0 541.608 3.745 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4cccc(F)c4)CC3)nn2)cc1OC ZINC000101603504 554804834 /nfs/dbraw/zinc/80/48/34/554804834.db2.gz KVUFJXCNODDFQI-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1OC ZINC000101603808 554804819 /nfs/dbraw/zinc/80/48/19/554804819.db2.gz NXSLXDLCCVOSGC-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4cccc(F)c4)CC3)nn2)c(OC)c1 ZINC000101604036 554804844 /nfs/dbraw/zinc/80/48/44/554804844.db2.gz FNFDJALYGSNFBO-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000101604060 554804769 /nfs/dbraw/zinc/80/47/69/554804769.db2.gz NPTIEITZSISAKI-UHFFFAOYSA-N 0 0 541.608 3.745 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)Cc4ccccc4)CC3)nn2)c(OC)c1 ZINC000101604133 554804857 /nfs/dbraw/zinc/80/48/57/554804857.db2.gz XJWDQHJKIVHNFC-UHFFFAOYSA-N 0 0 555.635 3.674 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc(F)cc4)CC3)nn2)c(OC)c1 ZINC000101604217 554804828 /nfs/dbraw/zinc/80/48/28/554804828.db2.gz UKKJZUSLVRQHOI-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)Cc2ccco2)c1 ZINC000101604314 554804837 /nfs/dbraw/zinc/80/48/37/554804837.db2.gz FDVIOFKEFDNVCS-UHFFFAOYSA-N 0 0 541.608 3.745 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000101604351 554804841 /nfs/dbraw/zinc/80/48/41/554804841.db2.gz LVRGDORGFUWKAK-UHFFFAOYSA-N 0 0 539.592 3.765 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4cccs4)CC3)nn2)cc1OC ZINC000101605417 554805061 /nfs/dbraw/zinc/80/50/61/554805061.db2.gz IAASBBGWRGPCJX-UHFFFAOYSA-N 0 0 547.637 3.807 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4)CC3)nn2)cc1OC ZINC000101605445 554805166 /nfs/dbraw/zinc/80/51/66/554805166.db2.gz VDAADICBFZHXKG-UHFFFAOYSA-N 0 0 541.608 3.745 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccccc4F)CC3)nn2)cc1OC ZINC000101605487 554805158 /nfs/dbraw/zinc/80/51/58/554805158.db2.gz SRVWMNFPJVWRJL-UHFFFAOYSA-N 0 0 559.598 3.884 50 0 KHAARN COc1ccc(Nc2nc(C(=O)N3CCN(CC(=O)N4CCN(c5c(C)cccc5C)CC4)CC3)cs2)cc1 ZINC000101606766 554805028 /nfs/dbraw/zinc/80/50/28/554805028.db2.gz QTJPZIKPZXTASK-UHFFFAOYSA-N 0 0 548.713 3.619 50 0 KHAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSC1=N/C(=C/c2cn(C)nc2C)C(=O)N1CCCOC ZINC000101610903 554805693 /nfs/dbraw/zinc/80/56/93/554805693.db2.gz DIMLZLPKSCJCKT-WOJGMQOQSA-N 0 0 533.676 3.531 50 0 KHAARN CC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)c1 ZINC000101616590 554806137 /nfs/dbraw/zinc/80/61/37/554806137.db2.gz BLLYDXOGWVQJBD-UHFFFAOYSA-N 0 0 536.635 3.937 50 0 KHAARN COCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3cccc(C(C)=O)c3)nc3ccccc3c2=O)cc1 ZINC000101616694 554806175 /nfs/dbraw/zinc/80/61/75/554806175.db2.gz JWZLUKCXASKNHR-UHFFFAOYSA-N 0 0 544.633 3.754 50 0 KHAARN 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COCCNC(=O)c1ccc(Cn2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3ccccc3c2=O)cc1 ZINC000101625018 554810975 /nfs/dbraw/zinc/81/09/75/554810975.db2.gz OOWPZYMSBLPEDC-UHFFFAOYSA-N 0 0 544.633 3.754 50 0 KHAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc(Cl)c(Cl)c1 ZINC000101627019 554811286 /nfs/dbraw/zinc/81/12/86/554811286.db2.gz VXSLGXRUOPFCMC-UHFFFAOYSA-N 0 0 537.454 3.683 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000101627075 554811179 /nfs/dbraw/zinc/81/11/79/554811179.db2.gz MGIMKOJNDVXIKA-UHFFFAOYSA-N 0 0 551.481 3.991 50 0 KHAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C)c(Cl)c4)nn32)cc1 ZINC000101627116 554811167 /nfs/dbraw/zinc/81/11/67/554811167.db2.gz KJTBCELHKARPFT-UHFFFAOYSA-N 0 0 531.063 3.646 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N(Cc3ccc4c(c3)OCO4)C(=O)Nc3ccccc3)C2=O)cc1 ZINC000101631472 554811741 /nfs/dbraw/zinc/81/17/41/554811741.db2.gz LEXAKXVYFRRTCR-QFIPXVFZSA-N 0 0 515.522 3.958 50 0 KHAARN 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CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(CNC(=O)c3cccc(F)c3)n1C)CCCC2 ZINC000101656213 554819482 /nfs/dbraw/zinc/81/94/82/554819482.db2.gz DCKCCEIXLKVKQQ-UHFFFAOYSA-N 0 0 531.635 3.732 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccccc3F)n1C)CCC2 ZINC000101657138 554819705 /nfs/dbraw/zinc/81/97/05/554819705.db2.gz BFQCTULMLNTWKI-CYBMUJFWSA-N 0 0 531.635 3.730 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccccc3F)n1C)CCC2 ZINC000101657142 554819664 /nfs/dbraw/zinc/81/96/64/554819664.db2.gz BFQCTULMLNTWKI-ZDUSSCGKSA-N 0 0 531.635 3.730 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3cccc(OC)c3)n1C)CCCC2 ZINC000101657198 554819661 /nfs/dbraw/zinc/81/96/61/554819661.db2.gz BRFHGGUMWQNWQM-OAHLLOKOSA-N 0 0 557.698 3.990 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cccc(OC)c3)n1C)CCCC2 ZINC000101657200 554819647 /nfs/dbraw/zinc/81/96/47/554819647.db2.gz BRFHGGUMWQNWQM-HNNXBMFYSA-N 0 0 557.698 3.990 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3cccc(OC)c3)n1C)CCC2 ZINC000101657266 554819667 /nfs/dbraw/zinc/81/96/67/554819667.db2.gz WYLPFSZONPGMOH-CQSZACIVSA-N 0 0 543.671 3.600 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cccc(OC)c3)n1C)CCC2 ZINC000101657274 554819658 /nfs/dbraw/zinc/81/96/58/554819658.db2.gz WYLPFSZONPGMOH-AWEZNQCLSA-N 0 0 543.671 3.600 50 0 KHAARN COc1ccccc1OC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000101657418 554819899 /nfs/dbraw/zinc/81/98/99/554819899.db2.gz FIVKHRPJKPHTHX-RUZDIDTESA-N 0 0 582.675 3.552 50 0 KHAARN COc1ccccc1OC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000101657423 554819891 /nfs/dbraw/zinc/81/98/91/554819891.db2.gz FIVKHRPJKPHTHX-VWLOTQADSA-N 0 0 582.675 3.552 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3ccccc3OC)n1C)CCC2 ZINC000101657463 554819864 /nfs/dbraw/zinc/81/98/64/554819864.db2.gz RHPZKVOXZUDJSW-CQSZACIVSA-N 0 0 543.671 3.600 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3ccccc3OC)n1C)CCC2 ZINC000101657467 554819872 /nfs/dbraw/zinc/81/98/72/554819872.db2.gz RHPZKVOXZUDJSW-AWEZNQCLSA-N 0 0 543.671 3.600 50 0 KHAARN COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000101657482 554819874 /nfs/dbraw/zinc/81/98/74/554819874.db2.gz JGGIGHDFISZCCO-HHHXNRCGSA-N 0 0 582.675 3.552 50 0 KHAARN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000101657485 554819866 /nfs/dbraw/zinc/81/98/66/554819866.db2.gz JGGIGHDFISZCCO-MHZLTWQESA-N 0 0 582.675 3.552 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnc(CNC(=O)c3cccc(F)c3)n1C)CCC2 ZINC000101657892 554820116 /nfs/dbraw/zinc/82/01/16/554820116.db2.gz UCKWEZQKWKBRQY-CYBMUJFWSA-N 0 0 531.635 3.730 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)c3cccc(F)c3)n1C)CCC2 ZINC000101657894 554820067 /nfs/dbraw/zinc/82/00/67/554820067.db2.gz UCKWEZQKWKBRQY-ZDUSSCGKSA-N 0 0 531.635 3.730 50 0 KHAARN CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC ZINC000101658816 554820582 /nfs/dbraw/zinc/82/05/82/554820582.db2.gz SSPBDPDQWDPKDD-YVLHZVERSA-N 0 0 535.338 3.538 50 0 KHAARN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1)OCO2 ZINC000101658866 554820556 /nfs/dbraw/zinc/82/05/56/554820556.db2.gz ANYDVSFQGICCJD-CHJDUVSTSA-N 0 0 569.618 3.741 50 0 KHAARN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1)OCO2 ZINC000101658872 554820561 /nfs/dbraw/zinc/82/05/61/554820561.db2.gz ANYDVSFQGICCJD-SMSORMJASA-N 0 0 569.618 3.741 50 0 KHAARN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1)OCO2 ZINC000101658874 554820578 /nfs/dbraw/zinc/82/05/78/554820578.db2.gz ANYDVSFQGICCJD-RCRUUEGKSA-N 0 0 569.618 3.741 50 0 KHAARN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1)OCO2 ZINC000101658876 554820530 /nfs/dbraw/zinc/82/05/30/554820530.db2.gz ANYDVSFQGICCJD-YKGWIAGDSA-N 0 0 569.618 3.741 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)c(C(=O)OCC)c1C ZINC000101659838 554821392 /nfs/dbraw/zinc/82/13/92/554821392.db2.gz RRQHYQJBEGPAPC-OAHLLOKOSA-N 0 0 619.722 3.605 50 0 KHAARN CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)c(C(=O)OCC)c1C ZINC000101659841 554821390 /nfs/dbraw/zinc/82/13/90/554821390.db2.gz RRQHYQJBEGPAPC-HNNXBMFYSA-N 0 0 619.722 3.605 50 0 KHAARN O=C(Nc1ccc2ccccc2c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000101660584 554821831 /nfs/dbraw/zinc/82/18/31/554821831.db2.gz FGCBLDYWAHHZPH-AREMUKBSSA-N 0 0 535.647 3.542 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1ccc(OC(F)(F)F)cc1 ZINC000101665503 554822333 /nfs/dbraw/zinc/82/23/33/554822333.db2.gz XMMRVTCCBNJINS-UHFFFAOYSA-N 0 0 552.510 3.581 50 0 KHAARN COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000101666033 554822598 /nfs/dbraw/zinc/82/25/98/554822598.db2.gz KHAAIOMZYHADQJ-HAHDFKILSA-N 0 0 528.565 3.861 50 0 KHAARN Cc1ccc(/C=C(\NC(=O)c2cncc(Br)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000101666062 554822543 /nfs/dbraw/zinc/82/25/43/554822543.db2.gz RYNJVMYGDQNVLK-LDYIFEDPSA-N 0 0 533.426 3.731 50 0 biogenic KHAARN COc1cccc(/C=C(\NC(=O)c2ccc(OC)cc2Cl)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000101666262 554822591 /nfs/dbraw/zinc/82/25/91/554822591.db2.gz AJESAGOZCRSVNL-BHFXCWBASA-N 0 0 534.012 3.936 50 0 biogenic KHAARN COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC ZINC000101666834 554822600 /nfs/dbraw/zinc/82/26/00/554822600.db2.gz VDBHZIXGQFEZRX-CHFVUIEWSA-N 0 0 534.012 3.936 50 0 biogenic KHAARN O=C(NC[C@@H]1CCCO1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000101674479 554827729 /nfs/dbraw/zinc/82/77/29/554827729.db2.gz ZESYGWZWOYLILM-NWSQWKLXSA-N 0 0 583.110 3.835 50 0 KHAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2c1nnn2Cc1cccc(C(F)(F)F)c1 ZINC000101681835 554828466 /nfs/dbraw/zinc/82/84/66/554828466.db2.gz KATLUADYDRSZRG-UHFFFAOYSA-N 0 0 536.511 3.701 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(OC(F)(F)F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000101681863 554828459 /nfs/dbraw/zinc/82/84/59/554828459.db2.gz UWCNEUTXJRUEHW-UHFFFAOYSA-N 0 0 548.547 3.751 50 0 KHAARN COc1cccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1OC ZINC000101682766 554828734 /nfs/dbraw/zinc/82/87/34/554828734.db2.gz SCLSYBVWFXAYRX-IRLDBZIGSA-N 0 0 552.715 3.637 50 0 KHAARN CC(C)C(=O)OCC(=O)Nc1c(I)cc(I)cc1I ZINC000101683246 554828747 /nfs/dbraw/zinc/82/87/47/554828747.db2.gz AUSXLXYZNFXEKB-UHFFFAOYSA-N 0 0 598.944 3.638 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000101683625 554828730 /nfs/dbraw/zinc/82/87/30/554828730.db2.gz PPPQTZNQFCNILC-UHFFFAOYSA-N 0 0 548.615 3.524 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000101683699 554828928 /nfs/dbraw/zinc/82/89/28/554828928.db2.gz DPRGULAGOQMDIE-UHFFFAOYSA-N 0 0 544.652 3.693 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1cccc(OC)c1 ZINC000101683730 554828857 /nfs/dbraw/zinc/82/88/57/554828857.db2.gz UYCYKZFNKJOPQI-UHFFFAOYSA-N 0 0 548.615 3.524 50 0 KHAARN COc1ccc(NC(=O)C2CCN(c3c4c(C)nsc4ncc3C(=O)N3CCOCC3)CC2)cc1Cl ZINC000101684413 554829181 /nfs/dbraw/zinc/82/91/81/554829181.db2.gz QCURAJMCBOYAKJ-UHFFFAOYSA-N 0 0 530.050 3.989 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2c3c(C)nsc3ncc2C(=O)N2CCOCC2)CC1 ZINC000101684434 554829197 /nfs/dbraw/zinc/82/91/97/554829197.db2.gz VLIVDWQHKUBYPZ-UHFFFAOYSA-N 0 0 530.050 3.989 50 0 KHAARN CC(=O)c1cc2c(cc1NC(=O)CCS(=O)(=O)c1nc(-c3cccs3)cc(C(F)(F)F)n1)OCO2 ZINC000101684511 554829189 /nfs/dbraw/zinc/82/91/89/554829189.db2.gz FDYMUDZCRJTRBX-UHFFFAOYSA-N 0 0 527.502 3.958 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101684934 554829174 /nfs/dbraw/zinc/82/91/74/554829174.db2.gz GHGBYFADROPZLV-HHHXNRCGSA-N 0 0 548.684 3.964 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000101684937 554829190 /nfs/dbraw/zinc/82/91/90/554829190.db2.gz GHGBYFADROPZLV-MHZLTWQESA-N 0 0 548.684 3.964 50 0 KHAARN CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)c1cccc(C)c1 ZINC000101685427 554829514 /nfs/dbraw/zinc/82/95/14/554829514.db2.gz MSURKVJWQDQLLP-UHFFFAOYSA-N 0 0 544.743 3.641 50 0 KHAARN COc1ccc(Br)cc1CNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000101685677 554829493 /nfs/dbraw/zinc/82/94/93/554829493.db2.gz QVCPFJAXOLXGSZ-UHFFFAOYSA-N 0 0 582.542 3.778 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000101686813 554829736 /nfs/dbraw/zinc/82/97/36/554829736.db2.gz RIZOKARZAMCCJP-RUZDIDTESA-N 0 0 541.048 3.710 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000101686821 554829660 /nfs/dbraw/zinc/82/96/60/554829660.db2.gz RIZOKARZAMCCJP-VWLOTQADSA-N 0 0 541.048 3.710 50 0 KHAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)cc4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000101687833 554829971 /nfs/dbraw/zinc/82/99/71/554829971.db2.gz QIEGUUCZTBPHMU-UHFFFAOYSA-N 0 0 542.636 3.691 50 0 KHAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000101687859 554829954 /nfs/dbraw/zinc/82/99/54/554829954.db2.gz KETGLWAHPVDNBH-UHFFFAOYSA-N 0 0 546.599 3.521 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000101688239 554829985 /nfs/dbraw/zinc/82/99/85/554829985.db2.gz BNMFCSKCNIRXSV-XMMPIXPASA-N 0 0 561.466 3.973 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000101688242 554829979 /nfs/dbraw/zinc/82/99/79/554829979.db2.gz BNMFCSKCNIRXSV-DEOSSOPVSA-N 0 0 561.466 3.973 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000101688376 554830247 /nfs/dbraw/zinc/83/02/47/554830247.db2.gz SYFQJMFPSQQLSS-VWLOTQADSA-N 0 0 541.048 3.710 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000101688380 554830233 /nfs/dbraw/zinc/83/02/33/554830233.db2.gz SYFQJMFPSQQLSS-RUZDIDTESA-N 0 0 541.048 3.710 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccccc1F ZINC000101688709 554830239 /nfs/dbraw/zinc/83/02/39/554830239.db2.gz ZOUKOBHFXIAPQU-UHFFFAOYSA-N 0 0 548.615 3.524 50 0 KHAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000101688743 554830171 /nfs/dbraw/zinc/83/01/71/554830171.db2.gz NHMQORPZYXPHET-KRWDZBQOSA-N 0 0 560.547 3.644 50 0 KHAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000101688749 554830236 /nfs/dbraw/zinc/83/02/36/554830236.db2.gz NHMQORPZYXPHET-QGZVFWFLSA-N 0 0 560.547 3.644 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(C)cc1 ZINC000101688792 554830164 /nfs/dbraw/zinc/83/01/64/554830164.db2.gz BMMZTYUKTRQTHR-UHFFFAOYSA-N 0 0 544.652 3.693 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000101689005 554830174 /nfs/dbraw/zinc/83/01/74/554830174.db2.gz ZKEQYOMNNPHPQI-UHFFFAOYSA-N 0 0 548.615 3.524 50 0 KHAARN CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101689216 554830430 /nfs/dbraw/zinc/83/04/30/554830430.db2.gz SFFLRSJRZYJJBU-WNJJXGMVSA-N 0 0 552.631 3.741 50 0 KHAARN CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101689223 554830442 /nfs/dbraw/zinc/83/04/42/554830442.db2.gz SFFLRSJRZYJJBU-LITSAYRRSA-N 0 0 552.631 3.741 50 0 KHAARN CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101689225 554830397 /nfs/dbraw/zinc/83/03/97/554830397.db2.gz SFFLRSJRZYJJBU-UHSQPCAPSA-N 0 0 552.631 3.741 50 0 KHAARN CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCOCC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000101689229 554830446 /nfs/dbraw/zinc/83/04/46/554830446.db2.gz SFFLRSJRZYJJBU-GGXMVOPNSA-N 0 0 552.631 3.741 50 0 KHAARN COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000101689368 554830436 /nfs/dbraw/zinc/83/04/36/554830436.db2.gz ZGDGNUDZQAGTQU-UHFFFAOYSA-N 0 0 546.599 3.521 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000101689381 554830421 /nfs/dbraw/zinc/83/04/21/554830421.db2.gz XFNDSYFHRLIFRA-UHFFFAOYSA-N 0 0 546.599 3.521 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000101689384 554830423 /nfs/dbraw/zinc/83/04/23/554830423.db2.gz TUIBQNQDLJDBKI-UHFFFAOYSA-N 0 0 542.636 3.691 50 0 KHAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000101690947 554830743 /nfs/dbraw/zinc/83/07/43/554830743.db2.gz OQZOFUXVUWNPSJ-UHFFFAOYSA-N 0 0 605.201 3.510 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000101691513 554830838 /nfs/dbraw/zinc/83/08/38/554830838.db2.gz HQUXAEVZHXFFAO-RUZDIDTESA-N 0 0 541.048 3.710 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000101691517 554830816 /nfs/dbraw/zinc/83/08/16/554830816.db2.gz HQUXAEVZHXFFAO-VWLOTQADSA-N 0 0 541.048 3.710 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000101691996 554830827 /nfs/dbraw/zinc/83/08/27/554830827.db2.gz ZJRHTALOABOZLZ-BCHFMIIMSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000101692000 554830770 /nfs/dbraw/zinc/83/07/70/554830770.db2.gz ZJRHTALOABOZLZ-NIYFSFCBSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000101692326 554830983 /nfs/dbraw/zinc/83/09/83/554830983.db2.gz UNWUZLGGQPFFRK-BCHFMIIMSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000101692331 554831074 /nfs/dbraw/zinc/83/10/74/554831074.db2.gz 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CCOC(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(Cl)ccc1OC)C(=O)c1ccccc1S2(=O)=O ZINC000102160911 554890120 /nfs/dbraw/zinc/89/01/20/554890120.db2.gz GSSAZRSAMNTUBV-UHFFFAOYSA-N 0 0 528.970 3.957 50 0 KHAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000102166752 554890372 /nfs/dbraw/zinc/89/03/72/554890372.db2.gz WOCNFCZNIXESFM-UHFFFAOYSA-N 0 0 567.687 3.895 50 0 KHAARN Cc1cc(-c2c(C)nc3scc(CC(=O)NCCN4CCOCC4)n3c2=O)nn1-c1ccc(Cl)c(Cl)c1 ZINC000102168438 554890531 /nfs/dbraw/zinc/89/05/31/554890531.db2.gz SEHVWRMYWCPTSA-UHFFFAOYSA-N 0 0 561.495 3.523 50 0 KHAARN Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000102172111 554891636 /nfs/dbraw/zinc/89/16/36/554891636.db2.gz VWFRBZFKGGYVJF-CJZRDCOESA-N 0 0 549.697 3.915 50 0 KHAARN Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000102172119 554891767 /nfs/dbraw/zinc/89/17/67/554891767.db2.gz VWFRBZFKGGYVJF-ZEWVGQQJSA-N 0 0 549.697 3.915 50 0 KHAARN O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000102176617 554892513 /nfs/dbraw/zinc/89/25/13/554892513.db2.gz WVFCYWHPHIDKDX-FQEVSTJZSA-N 0 0 535.622 3.952 50 0 KHAARN O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000102176622 554892477 /nfs/dbraw/zinc/89/24/77/554892477.db2.gz WVFCYWHPHIDKDX-HXUWFJFHSA-N 0 0 535.622 3.952 50 0 KHAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(OC)cc1)n(-c1ccc(OC)cc1)c2=O ZINC000102176782 554892475 /nfs/dbraw/zinc/89/24/75/554892475.db2.gz OTXMRMDGJLBAED-UHFFFAOYSA-N 0 0 533.606 3.754 50 0 KHAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3F)cc12 ZINC000102179213 1066206187 /nfs/dbraw/zinc/20/61/87/1066206187.db2.gz GKAVKZHWQMVRBA-QFIPXVFZSA-N 0 0 550.631 3.881 50 0 KHAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3ccccc3F)cc12 ZINC000102179219 1066206749 /nfs/dbraw/zinc/20/67/49/1066206749.db2.gz GKAVKZHWQMVRBA-JOCHJYFZSA-N 0 0 550.631 3.881 50 0 KHAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cccc(F)c3)cc12 ZINC000102189601 1066206775 /nfs/dbraw/zinc/20/67/75/1066206775.db2.gz GEWVFUVSBNXGTQ-DEOSSOPVSA-N 0 0 550.631 3.881 50 0 KHAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)cc12 ZINC000102189607 1066206900 /nfs/dbraw/zinc/20/69/00/1066206900.db2.gz GEWVFUVSBNXGTQ-XMMPIXPASA-N 0 0 550.631 3.881 50 0 KHAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4Cl)CC3)nn2)cc1 ZINC000102191329 554894574 /nfs/dbraw/zinc/89/45/74/554894574.db2.gz UMOJDZQCLGZHEA-UHFFFAOYSA-N 0 0 577.129 3.619 50 0 KHAARN COc1ccc(Cc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2-c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000102192034 554894870 /nfs/dbraw/zinc/89/48/70/554894870.db2.gz WGXZMDNGSUIGGL-UHFFFAOYSA-N 0 0 614.684 3.622 50 0 KHAARN Cc1ccccc1C(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000102192106 554894960 /nfs/dbraw/zinc/89/49/60/554894960.db2.gz XHNIFCNIFBUAQS-UHFFFAOYSA-N 0 0 577.129 3.619 50 0 KHAARN COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000102192687 554895179 /nfs/dbraw/zinc/89/51/79/554895179.db2.gz XVTZRBSDLCLAGQ-UHFFFAOYSA-N 0 0 574.751 3.542 50 0 KHAARN COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000102192720 554895161 /nfs/dbraw/zinc/89/51/61/554895161.db2.gz PUFHAEJGUDBVFR-UHFFFAOYSA-N 0 0 578.714 3.685 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000102192838 554895153 /nfs/dbraw/zinc/89/51/53/554895153.db2.gz NBPMWVPAEUPXQV-UHFFFAOYSA-N 0 0 589.549 3.635 50 0 KHAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(Cl)cc4Cl)CC3)nn2)cc1 ZINC000102192982 554895119 /nfs/dbraw/zinc/89/51/19/554895119.db2.gz NZASBIGAPBNSFC-UHFFFAOYSA-N 0 0 597.547 3.882 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc(F)cc1)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000102192990 554895138 /nfs/dbraw/zinc/89/51/38/554895138.db2.gz OLGPBPPMTLHHSI-UHFFFAOYSA-N 0 0 601.510 3.713 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000102193071 554895164 /nfs/dbraw/zinc/89/51/64/554895164.db2.gz LFYFYBZVNSXPJU-UHFFFAOYSA-N 0 0 601.510 3.713 50 0 KHAARN CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1Cl ZINC000102193695 554895123 /nfs/dbraw/zinc/89/51/23/554895123.db2.gz PKZONWVETCQIOI-UHFFFAOYSA-N 0 0 565.118 3.938 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1Cl)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000102193775 554895194 /nfs/dbraw/zinc/89/51/94/554895194.db2.gz AFVUXEINWJHALZ-UHFFFAOYSA-N 0 0 597.547 3.964 50 0 KHAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cccc(OC)c1OC ZINC000102194539 554895466 /nfs/dbraw/zinc/89/54/66/554895466.db2.gz FPSGKIDEKKUYMG-UHFFFAOYSA-N 0 0 535.688 3.793 50 0 KHAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@@H]2CCCO2)c1OC ZINC000102194587 554895396 /nfs/dbraw/zinc/89/53/96/554895396.db2.gz JKZOBQILUKHVMH-IBGZPJMESA-N 0 0 533.672 3.546 50 0 KHAARN COc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C[C@H]2CCCO2)c1OC ZINC000102194593 554895377 /nfs/dbraw/zinc/89/53/77/554895377.db2.gz JKZOBQILUKHVMH-LJQANCHMSA-N 0 0 533.672 3.546 50 0 KHAARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cc(OC)cc(OC)c1 ZINC000102194675 554895423 /nfs/dbraw/zinc/89/54/23/554895423.db2.gz UTYFAOVZFQDJBM-UHFFFAOYSA-N 0 0 535.688 3.793 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000102201776 554895624 /nfs/dbraw/zinc/89/56/24/554895624.db2.gz AXFLTDHDDUPVAC-JOCHJYFZSA-N 0 0 534.573 3.927 50 0 KHAARN CCOC(=O)C1=C(CSc2ncnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000102201779 554895523 /nfs/dbraw/zinc/89/55/23/554895523.db2.gz AXFLTDHDDUPVAC-QFIPXVFZSA-N 0 0 534.573 3.927 50 0 KHAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102207308 554896313 /nfs/dbraw/zinc/89/63/13/554896313.db2.gz ZVIGVNWCGIVKAY-UHFFFAOYSA-N 0 0 568.690 3.902 50 0 KHAARN CCCc1ccc(S(=O)(=O)N2CCCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1 ZINC000102212802 554897162 /nfs/dbraw/zinc/89/71/62/554897162.db2.gz YQYXIMFRRAYKME-UHFFFAOYSA-N 0 0 536.658 3.662 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC ZINC000102212833 554897169 /nfs/dbraw/zinc/89/71/69/554897169.db2.gz ZHFRQTKBUSSEMT-UHFFFAOYSA-N 0 0 536.658 3.833 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cc1OC ZINC000102213487 554897142 /nfs/dbraw/zinc/89/71/42/554897142.db2.gz SYMCBXSWXMWVMF-UHFFFAOYSA-N 0 0 550.685 3.862 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000102213503 554897135 /nfs/dbraw/zinc/89/71/35/554897135.db2.gz AXIAJULXNUOZQD-UHFFFAOYSA-N 0 0 546.399 3.983 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccccc2Br)c1 ZINC000102213509 554897179 /nfs/dbraw/zinc/89/71/79/554897179.db2.gz NMVQUUQPHNYULC-UHFFFAOYSA-N 0 0 546.399 3.983 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1OC ZINC000102213535 554897139 /nfs/dbraw/zinc/89/71/39/554897139.db2.gz AWXBLGIVDDMCHT-UHFFFAOYSA-N 0 0 536.658 3.553 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccccc2Cl)c1 ZINC000102213558 554897147 /nfs/dbraw/zinc/89/71/47/554897147.db2.gz GYTMAWANEXGRQX-UHFFFAOYSA-N 0 0 531.974 3.639 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC ZINC000102213559 554897141 /nfs/dbraw/zinc/89/71/41/554897141.db2.gz SRKLKPFBMMCHQJ-UHFFFAOYSA-N 0 0 549.440 3.626 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000102213564 554897172 /nfs/dbraw/zinc/89/71/72/554897172.db2.gz AOPOCBDXNJLTMA-UHFFFAOYSA-N 0 0 531.974 3.639 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1OC ZINC000102213568 554897122 /nfs/dbraw/zinc/89/71/22/554897122.db2.gz ILMBKUJFALMCIT-UHFFFAOYSA-N 0 0 557.076 3.980 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1OC ZINC000102213583 554897188 /nfs/dbraw/zinc/89/71/88/554897188.db2.gz ISEGMIGQUJGYCH-UHFFFAOYSA-N 0 0 549.440 3.626 50 0 KHAARN CCS(=O)(=O)c1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000102213603 554897511 /nfs/dbraw/zinc/89/75/11/554897511.db2.gz VSBSUXJMEFCBLQ-UHFFFAOYSA-N 0 0 546.399 3.983 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1OC ZINC000102213674 554897448 /nfs/dbraw/zinc/89/74/48/554897448.db2.gz RUZQPDOQQSPOLE-UHFFFAOYSA-N 0 0 562.574 3.728 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cc1OC ZINC000102213711 554897467 /nfs/dbraw/zinc/89/74/67/554897467.db2.gz OAIIXFVVZRVRKK-UHFFFAOYSA-N 0 0 547.012 3.502 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1OC ZINC000102213755 554897421 /nfs/dbraw/zinc/89/74/21/554897421.db2.gz WVUYBAUWCJTQNA-UHFFFAOYSA-N 0 0 543.049 3.671 50 0 KHAARN 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CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000102236191 554901603 /nfs/dbraw/zinc/90/16/03/554901603.db2.gz WYNFHZULVGMIAU-QHCPKHFHSA-N 0 0 531.440 3.965 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000102236312 554901680 /nfs/dbraw/zinc/90/16/80/554901680.db2.gz ZYONVNIUPGYHPH-HSZRJFAPSA-N 0 0 548.537 3.816 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000102236316 554901613 /nfs/dbraw/zinc/90/16/13/554901613.db2.gz ZYONVNIUPGYHPH-QHCPKHFHSA-N 0 0 548.537 3.816 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1cccc(F)c1 ZINC000102239415 554902301 /nfs/dbraw/zinc/90/23/01/554902301.db2.gz SVVNWWZPXWUVGH-UHFFFAOYSA-N 0 0 534.563 3.652 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1F ZINC000102239460 554902233 /nfs/dbraw/zinc/90/22/33/554902233.db2.gz SKDQFRPFBKYYGJ-UHFFFAOYSA-N 0 0 534.563 3.652 50 0 KHAARN O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(F)cc1 ZINC000102240234 554902537 /nfs/dbraw/zinc/90/25/37/554902537.db2.gz CQEQXJVEDDDKTI-UHFFFAOYSA-N 0 0 534.563 3.652 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000102241783 554902802 /nfs/dbraw/zinc/90/28/02/554902802.db2.gz UBANSGWQTHFAGW-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccccc1F ZINC000102242189 554902979 /nfs/dbraw/zinc/90/29/79/554902979.db2.gz UPRUPWCETDRSNP-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1ccc(F)cc1 ZINC000102242233 554902973 /nfs/dbraw/zinc/90/29/73/554902973.db2.gz PCYUBEMYHUSTFH-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000102242277 554902971 /nfs/dbraw/zinc/90/29/71/554902971.db2.gz VNJISWLUIMVTBZ-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)Cc1ccc(F)cc1 ZINC000102242595 554902968 /nfs/dbraw/zinc/90/29/68/554902968.db2.gz SVKNTSKFHNFNNI-UHFFFAOYSA-N 0 0 536.579 3.541 50 0 KHAARN COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)Cc1ccc(F)cc1 ZINC000102242614 554902993 /nfs/dbraw/zinc/90/29/93/554902993.db2.gz UPRLUNFKWRPSJI-UHFFFAOYSA-N 0 0 536.579 3.541 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1ccccc1F ZINC000102242659 554903292 /nfs/dbraw/zinc/90/32/92/554903292.db2.gz MXOIEGXWTAQRBO-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)c1cccc(F)c1 ZINC000102242725 554903249 /nfs/dbraw/zinc/90/32/49/554903249.db2.gz OFTKWAJTTHQQIO-UHFFFAOYSA-N 0 0 536.579 3.655 50 0 KHAARN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000102243488 554903257 /nfs/dbraw/zinc/90/32/57/554903257.db2.gz TWMRUYVFJSSTTB-UHFFFAOYSA-N 0 0 532.484 3.854 50 0 KHAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)nc2scc(-c3ccccc3)c21 ZINC000102247288 554903488 /nfs/dbraw/zinc/90/34/88/554903488.db2.gz MMGCTXKZCOFSLQ-UHFFFAOYSA-N 0 0 545.484 3.921 50 0 KHAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CC(=O)N(CCc2ccccc2)C1 ZINC000102253855 554904271 /nfs/dbraw/zinc/90/42/71/554904271.db2.gz QKVTUYWFZSPKCO-NRFANRHFSA-N 0 0 540.711 3.652 50 0 KHAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)CC(=O)N(CCc2ccccc2)C1 ZINC000102253860 554904226 /nfs/dbraw/zinc/90/42/26/554904226.db2.gz QKVTUYWFZSPKCO-OAQYLSRUSA-N 0 0 540.711 3.652 50 0 KHAARN Cc1c(NS(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000102255356 554904568 /nfs/dbraw/zinc/90/45/68/554904568.db2.gz WUJZSBVAHAUEAK-UHFFFAOYSA-N 0 0 555.012 3.597 50 0 KHAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OCCc3ccccn3)c(OC)c2)[C@H]2CCCCNC2=O)c1 ZINC000102261523 1066208332 /nfs/dbraw/zinc/20/83/32/1066208332.db2.gz VBKMQWQXSOBIKP-DEOSSOPVSA-N 0 0 569.680 3.589 50 0 KHAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000102268170 554905645 /nfs/dbraw/zinc/90/56/45/554905645.db2.gz YXQIKQCUNZSVIP-RUZDIDTESA-N 0 0 528.652 3.574 50 0 KHAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000102268174 554905657 /nfs/dbraw/zinc/90/56/57/554905657.db2.gz YXQIKQCUNZSVIP-VWLOTQADSA-N 0 0 528.652 3.574 50 0 KHAARN C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000102272968 554905900 /nfs/dbraw/zinc/90/59/00/554905900.db2.gz DFPJIGMKYDRUEG-SFHVURJKSA-N 0 0 549.653 3.899 50 0 KHAARN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000102272970 554905889 /nfs/dbraw/zinc/90/58/89/554905889.db2.gz DFPJIGMKYDRUEG-GOSISDBHSA-N 0 0 549.653 3.899 50 0 KHAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc4ncccc4c3)C2)nn1 ZINC000102280485 1066208345 /nfs/dbraw/zinc/20/83/45/1066208345.db2.gz WKQRMZNCLLUITK-QPPBQGQZSA-N 0 0 538.530 3.764 50 0 KHAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000102282123 554907340 /nfs/dbraw/zinc/90/73/40/554907340.db2.gz XZMVIOLWLLXYAR-UHFFFAOYSA-N 0 0 528.009 3.568 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2Cc2ccccc2)C1 ZINC000102282508 554907350 /nfs/dbraw/zinc/90/73/50/554907350.db2.gz ZCBMJKYGLNWGKR-DEOSSOPVSA-N 0 0 599.779 3.918 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N(CC)CC)c3)n2Cc2ccccc2)C1 ZINC000102282514 554907374 /nfs/dbraw/zinc/90/73/74/554907374.db2.gz ZCBMJKYGLNWGKR-XMMPIXPASA-N 0 0 599.779 3.918 50 0 KHAARN O=C([C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000102285760 554907322 /nfs/dbraw/zinc/90/73/22/554907322.db2.gz ZHOZGXORFRYUBW-AREMUKBSSA-N 0 0 547.725 3.580 50 0 KHAARN O=C([C@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000102285764 554907314 /nfs/dbraw/zinc/90/73/14/554907314.db2.gz ZHOZGXORFRYUBW-SANMLTNESA-N 0 0 547.725 3.580 50 0 KHAARN 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CC1=C(C(=O)N2CCOCC2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)NC(=S)N1 ZINC000102296674 554907762 /nfs/dbraw/zinc/90/77/62/554907762.db2.gz HTTOEVKEVNQVHN-QHCPKHFHSA-N 0 0 538.471 3.953 50 0 KHAARN CC1=C(C(=O)N2CCOCC2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)NC(=S)N1 ZINC000102296678 554907765 /nfs/dbraw/zinc/90/77/65/554907765.db2.gz HTTOEVKEVNQVHN-HSZRJFAPSA-N 0 0 538.471 3.953 50 0 KHAARN O=C(NCCCn1ccnc1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)Nc2ccccc2)c1 ZINC000102297784 1066292141 /nfs/dbraw/zinc/29/21/41/1066292141.db2.gz LBBOBYCLJNIDKU-UHFFFAOYSA-N 0 0 547.637 3.887 50 0 KHAARN CC(C)NC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C ZINC000102299402 554908215 /nfs/dbraw/zinc/90/82/15/554908215.db2.gz MJZFZPIFUIAIQI-DLYYBKBHSA-N 0 0 548.732 3.998 50 0 KHAARN CC(C)NC(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1C ZINC000102299405 554908219 /nfs/dbraw/zinc/90/82/19/554908219.db2.gz MJZFZPIFUIAIQI-BIFSNKIDSA-N 0 0 548.732 3.998 50 0 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COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cccc5c4C(=O)N([C@@H]4CCOC(C)(C)C4)C5=O)C3)CC2)c1 ZINC000102457020 554934596 /nfs/dbraw/zinc/93/45/96/554934596.db2.gz PLZCXDSXQGWNKN-LADGPHEKSA-N 0 0 560.695 3.814 50 0 KHAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cccc5c4C(=O)N([C@H]4CCOC(C)(C)C4)C5=O)C3)CC2)c1 ZINC000102457024 554934567 /nfs/dbraw/zinc/93/45/67/554934567.db2.gz PLZCXDSXQGWNKN-UPVQGACJSA-N 0 0 560.695 3.814 50 0 KHAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3ccc(OC)cc3OC)c(N3CCOCC3)nc2c1 ZINC000102461721 1066208954 /nfs/dbraw/zinc/20/89/54/1066208954.db2.gz ZYNZEQNZVLSPNX-UHFFFAOYSA-N 0 0 562.667 3.752 50 0 KHAARN CSc1nn(CC(=O)Nc2ccc(Br)cc2F)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000102465423 554935691 /nfs/dbraw/zinc/93/56/91/554935691.db2.gz GQIFQAMZYMXTTN-UHFFFAOYSA-N 0 0 517.377 3.699 50 0 KHAARN CCSc1nn(CC(=O)Nc2ccc(Br)cc2F)c(N)c1S(=O)(=O)c1ccc(OC)cc1 ZINC000102465552 554935741 /nfs/dbraw/zinc/93/57/41/554935741.db2.gz MYKMMZHBURAAOL-UHFFFAOYSA-N 0 0 543.440 3.959 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)C2)CC1 ZINC000102496410 554940830 /nfs/dbraw/zinc/94/08/30/554940830.db2.gz JYCJRLNTVZMMPR-HXUWFJFHSA-N 0 0 539.032 3.653 50 0 KHAARN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)C2)CC1 ZINC000102496415 554940802 /nfs/dbraw/zinc/94/08/02/554940802.db2.gz JYCJRLNTVZMMPR-FQEVSTJZSA-N 0 0 539.032 3.653 50 0 KHAARN CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3=O)C1 ZINC000102496439 554940779 /nfs/dbraw/zinc/94/07/79/554940779.db2.gz GGUNABPBTHKYJU-DHIUTWEWSA-N 0 0 537.682 3.515 50 0 KHAARN CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N([C@@H]2CCS(=O)(=O)C2)C3=O)C1 ZINC000102496442 554940804 /nfs/dbraw/zinc/94/08/04/554940804.db2.gz GGUNABPBTHKYJU-XZOQPEGZSA-N 0 0 537.682 3.515 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000102500615 554942893 /nfs/dbraw/zinc/94/28/93/554942893.db2.gz QWEOTPORDMJUHT-SANMLTNESA-N 0 0 538.446 3.517 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(Br)c3)ncn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000102500620 554942890 /nfs/dbraw/zinc/94/28/90/554942890.db2.gz QWEOTPORDMJUHT-AREMUKBSSA-N 0 0 538.446 3.517 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000102501054 554943091 /nfs/dbraw/zinc/94/30/91/554943091.db2.gz XFHRHCKAMAHSMF-LJAQVGFWSA-N 0 0 535.620 3.680 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000102501059 554943074 /nfs/dbraw/zinc/94/30/74/554943074.db2.gz XFHRHCKAMAHSMF-GDLZYMKVSA-N 0 0 535.620 3.680 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501293 554943158 /nfs/dbraw/zinc/94/31/58/554943158.db2.gz ZNCYHXCHEWEPRC-PMERELPUSA-N 0 0 547.656 3.550 50 0 KHAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501299 554943170 /nfs/dbraw/zinc/94/31/70/554943170.db2.gz ZNCYHXCHEWEPRC-SSEXGKCCSA-N 0 0 547.656 3.550 50 0 KHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccccc3C(F)(F)F)c2C(=O)N1C1CC1 ZINC000102502198 554943368 /nfs/dbraw/zinc/94/33/68/554943368.db2.gz XPAKVCUNGZLEBI-RUZDIDTESA-N 0 0 529.494 3.987 50 0 KHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3ccccc3C(F)(F)F)c2C(=O)N1C1CC1 ZINC000102502202 554943359 /nfs/dbraw/zinc/94/33/59/554943359.db2.gz XPAKVCUNGZLEBI-VWLOTQADSA-N 0 0 529.494 3.987 50 0 KHAARN C[C@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C(=O)N1C1CC1 ZINC000102502208 554943336 /nfs/dbraw/zinc/94/33/36/554943336.db2.gz TWNOLWGGOIPVPQ-RUZDIDTESA-N 0 0 529.494 3.987 50 0 KHAARN C[C@@]1(C(=O)NCc2ccc(F)cc2)Cn2cnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C(=O)N1C1CC1 ZINC000102502213 554943351 /nfs/dbraw/zinc/94/33/51/554943351.db2.gz TWNOLWGGOIPVPQ-VWLOTQADSA-N 0 0 529.494 3.987 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000102502380 554943344 /nfs/dbraw/zinc/94/33/44/554943344.db2.gz PLAFJNVBKGXMKR-AREMUKBSSA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(F)cc1)C2 ZINC000102502386 554943352 /nfs/dbraw/zinc/94/33/52/554943352.db2.gz PLAFJNVBKGXMKR-SANMLTNESA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1Cl ZINC000102502405 554943400 /nfs/dbraw/zinc/94/34/00/554943400.db2.gz SYQJEKYKPCBWLW-AREMUKBSSA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1Cl ZINC000102502408 554943428 /nfs/dbraw/zinc/94/34/28/554943428.db2.gz SYQJEKYKPCBWLW-SANMLTNESA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cc4F)c3C(=O)N2C2CC2)cc1 ZINC000102502582 554943786 /nfs/dbraw/zinc/94/37/86/554943786.db2.gz VBZNIBAJBSZQSQ-AREMUKBSSA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4ccc(Cl)cc4F)c3C(=O)N2C2CC2)cc1 ZINC000102502584 554943723 /nfs/dbraw/zinc/94/37/23/554943723.db2.gz VBZNIBAJBSZQSQ-SANMLTNESA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4ccc(F)cc4Cl)c3C(=O)N2C2CC2)cc1 ZINC000102502593 554943720 /nfs/dbraw/zinc/94/37/20/554943720.db2.gz LSAJSSBSFIDYFF-AREMUKBSSA-N 0 0 525.968 3.630 50 0 KHAARN COc1ccc(CNC(=O)[C@]2(C)Cn3cnc(C(=O)Nc4ccc(F)cc4Cl)c3C(=O)N2C2CC2)cc1 ZINC000102502598 554943654 /nfs/dbraw/zinc/94/36/54/554943654.db2.gz LSAJSSBSFIDYFF-SANMLTNESA-N 0 0 525.968 3.630 50 0 KHAARN CSc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000102503355 554943901 /nfs/dbraw/zinc/94/39/01/554943901.db2.gz MCVUISCRAVGHFX-HHHXNRCGSA-N 0 0 538.073 3.882 50 0 KHAARN CSc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000102503360 554944015 /nfs/dbraw/zinc/94/40/15/554944015.db2.gz MCVUISCRAVGHFX-MHZLTWQESA-N 0 0 538.073 3.882 50 0 KHAARN CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000102503367 554943933 /nfs/dbraw/zinc/94/39/33/554943933.db2.gz NFKRMMVPOKNYFU-NDEPHWFRSA-N 0 0 536.032 3.559 50 0 KHAARN CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccccc2Cl)C3)cc1 ZINC000102503372 554944046 /nfs/dbraw/zinc/94/40/46/554944046.db2.gz NFKRMMVPOKNYFU-MUUNZHRXSA-N 0 0 536.032 3.559 50 0 KHAARN CCOC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2ccc(C)nc21 ZINC000102514055 554947204 /nfs/dbraw/zinc/94/72/04/554947204.db2.gz GWADRPBCGPCCMV-UHFFFAOYSA-N 0 0 533.606 3.970 50 0 KHAARN CCOc1ccc(CCNC(=O)c2ccc(Cn3c(=O)[nH]c4cc(OC)c(OC)cc4c3=O)cc2)cc1OCC ZINC000102523349 554949868 /nfs/dbraw/zinc/94/98/68/554949868.db2.gz DLKSYBKTQYBANN-UHFFFAOYSA-N 0 0 547.608 3.525 50 0 KHAARN COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(Cc3ccccc3F)c2cc1OC ZINC000102523783 554950406 /nfs/dbraw/zinc/95/04/06/554950406.db2.gz FPFMTWNJOCFZCZ-UHFFFAOYSA-N 0 0 543.551 3.939 50 0 KHAARN COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(Cc3cccc(F)c3)c2cc1OC ZINC000102523791 554950416 /nfs/dbraw/zinc/95/04/16/554950416.db2.gz NUKNAMQLJQDBBY-UHFFFAOYSA-N 0 0 543.551 3.939 50 0 KHAARN COc1cc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=O)n(Cc3ccc(F)cc3)c2cc1OC ZINC000102523803 554950414 /nfs/dbraw/zinc/95/04/14/554950414.db2.gz ICFKYBDTOYLZJJ-UHFFFAOYSA-N 0 0 543.551 3.939 50 0 KHAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C)ccc3C)c2=O)cc1 ZINC000102524256 554950879 /nfs/dbraw/zinc/95/08/79/554950879.db2.gz YXAIJZNMMGILBL-UHFFFAOYSA-N 0 0 545.636 3.660 50 0 KHAARN COc1cc2c(=O)n(Cc3ccc(C(=O)NC4CC4)cc3)c(=O)n(Cc3c(F)cccc3Cl)c2cc1OC ZINC000102524419 554951169 /nfs/dbraw/zinc/95/11/69/554951169.db2.gz NEVODCJJDYYZJX-UHFFFAOYSA-N 0 0 537.975 3.962 50 0 KHAARN COc1cc2c(=O)n(Cc3ccc(C(=O)NC4CC4)cc3)c(=O)n(Cc3ccc(F)cc3Cl)c2cc1OC ZINC000102524447 554951178 /nfs/dbraw/zinc/95/11/78/554951178.db2.gz IELDLCLANOPYKE-UHFFFAOYSA-N 0 0 537.975 3.962 50 0 KHAARN COc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21 ZINC000102528092 554952806 /nfs/dbraw/zinc/95/28/06/554952806.db2.gz UWYFJTHNNRFAPN-NDEPHWFRSA-N 0 0 562.692 3.852 50 0 KHAARN COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N21 ZINC000102528097 554952775 /nfs/dbraw/zinc/95/27/75/554952775.db2.gz UWYFJTHNNRFAPN-MUUNZHRXSA-N 0 0 562.692 3.852 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccc(OC)cc1 ZINC000102531209 554953923 /nfs/dbraw/zinc/95/39/23/554953923.db2.gz PFUDIDYZDQCPLI-MUUNZHRXSA-N 0 0 562.692 3.809 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccc(OC)cc1 ZINC000102531214 554953945 /nfs/dbraw/zinc/95/39/45/554953945.db2.gz PFUDIDYZDQCPLI-NDEPHWFRSA-N 0 0 562.692 3.809 50 0 KHAARN COc1cc(CN(C(=O)CCn2nc(C)cc2C)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000102531344 1066208868 /nfs/dbraw/zinc/20/88/68/1066208868.db2.gz GOXLNNFBHJCUNM-QHCPKHFHSA-N 0 0 539.702 3.983 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccccc1OC ZINC000102536167 554955709 /nfs/dbraw/zinc/95/57/09/554955709.db2.gz VEQMRCLYOAUNET-MUUNZHRXSA-N 0 0 562.692 3.809 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccccc1OC ZINC000102536171 554955713 /nfs/dbraw/zinc/95/57/13/554955713.db2.gz VEQMRCLYOAUNET-NDEPHWFRSA-N 0 0 562.692 3.809 50 0 KHAARN O=C(CN(C(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccccc1 ZINC000102539217 554956874 /nfs/dbraw/zinc/95/68/74/554956874.db2.gz MZHLQFKDBBJKOL-OQQNJPJOSA-N 0 0 541.604 3.782 50 0 KHAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000102542516 554957899 /nfs/dbraw/zinc/95/78/99/554957899.db2.gz GGZPUTTVMJSKRP-UHFFFAOYSA-N 0 0 533.448 3.697 50 0 KHAARN COc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc3cccnc32)cc1 ZINC000102547704 554959974 /nfs/dbraw/zinc/95/99/74/554959974.db2.gz XPYBZXWJOHWSLQ-UHFFFAOYSA-N 0 0 542.459 3.698 50 0 KHAARN CCOc1ccc(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000102549381 554960985 /nfs/dbraw/zinc/96/09/85/554960985.db2.gz DMGPYIXNLKQXDC-OFNKIYASSA-N 0 0 531.535 3.614 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000102551192 554961876 /nfs/dbraw/zinc/96/18/76/554961876.db2.gz ZXQMTRFOYDGRMP-LJAQVGFWSA-N 0 0 534.613 3.588 50 0 KHAARN CCCCOc1ccc(CN2C(=O)c3c(C(=O)OC)ncn3C[C@]2(C)C(=O)NCc2ccccc2OC)cc1 ZINC000102551196 554961957 /nfs/dbraw/zinc/96/19/57/554961957.db2.gz ZXQMTRFOYDGRMP-GDLZYMKVSA-N 0 0 534.613 3.588 50 0 KHAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)cc2F)C(C)C)CC1 ZINC000102555152 554964075 /nfs/dbraw/zinc/96/40/75/554964075.db2.gz WNMHUCCIVHAIFH-VXKWHMMOSA-N 0 0 570.703 3.929 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cn(C)c5ccccc5c4=O)C3)cc2)CC1 ZINC000102565278 554969705 /nfs/dbraw/zinc/96/97/05/554969705.db2.gz AOXCGJROVVLVFU-XMMPIXPASA-N 0 0 546.668 3.744 50 0 KHAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(C(=O)c4cn(C)c5ccccc5c4=O)C3)cc2)CC1 ZINC000102565285 554969747 /nfs/dbraw/zinc/96/97/47/554969747.db2.gz AOXCGJROVVLVFU-DEOSSOPVSA-N 0 0 546.668 3.744 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000102567795 554970049 /nfs/dbraw/zinc/97/00/49/554970049.db2.gz VGSZLZLUPNSKKQ-YHYVQYDKSA-N 0 0 544.617 3.632 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000102567800 554970120 /nfs/dbraw/zinc/97/01/20/554970120.db2.gz VGSZLZLUPNSKKQ-WTOYTKOKSA-N 0 0 544.617 3.632 50 0 KHAARN COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)n2)CC1 ZINC000102569773 554970281 /nfs/dbraw/zinc/97/02/81/554970281.db2.gz WSMOGUXDGGRMOT-UHFFFAOYSA-N 0 0 572.497 3.762 50 0 KHAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000102570153 554970213 /nfs/dbraw/zinc/97/02/13/554970213.db2.gz RWRSWXBZMNGCBD-UHFFFAOYSA-N 0 0 541.486 3.511 50 0 KHAARN Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O ZINC000102573691 554971240 /nfs/dbraw/zinc/97/12/40/554971240.db2.gz DYNUCIHLRJJBRS-PBWRJCPJSA-N 0 0 546.664 3.978 50 0 KHAARN Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(C)c2oc1=O ZINC000102573702 554971175 /nfs/dbraw/zinc/97/11/75/554971175.db2.gz DYNUCIHLRJJBRS-NWQMLPMASA-N 0 0 546.664 3.978 50 0 KHAARN CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000102575362 554971500 /nfs/dbraw/zinc/97/15/00/554971500.db2.gz DWPFQWHIYOVPDL-OAQYLSRUSA-N 0 0 538.695 3.565 50 0 KHAARN CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000102575365 554971495 /nfs/dbraw/zinc/97/14/95/554971495.db2.gz DWPFQWHIYOVPDL-NRFANRHFSA-N 0 0 538.695 3.565 50 0 KHAARN COc1cccc(C(=O)N(Cc2cc3c(OC)ccc(OC)c3nc2N2CCN(C(C)=O)CC2)C[C@@H]2CCCO2)c1 ZINC000102584065 1066208964 /nfs/dbraw/zinc/20/89/64/1066208964.db2.gz RXQZRXINTCQHHS-VWLOTQADSA-N 0 0 562.667 3.751 50 0 KHAARN COc1cccc(C(=O)N(Cc2cc3c(OC)ccc(OC)c3nc2N2CCN(C(C)=O)CC2)C[C@H]2CCCO2)c1 ZINC000102584068 1066208977 /nfs/dbraw/zinc/20/89/77/1066208977.db2.gz RXQZRXINTCQHHS-RUZDIDTESA-N 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/nfs/dbraw/zinc/99/47/23/554994723.db2.gz AKTFTPKSWICBBS-UHFFFAOYSA-N 0 0 528.407 3.678 50 0 KHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(=O)n3nc(-c4cccc(F)c4)sc3n2)CC1 ZINC000102649465 554994750 /nfs/dbraw/zinc/99/47/50/554994750.db2.gz ZZEIMQGUDKPGLM-UHFFFAOYSA-N 0 0 528.407 3.678 50 0 KHAARN O=C(c1cccc(Br)c1)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000102649478 554994813 /nfs/dbraw/zinc/99/48/13/554994813.db2.gz YOXAASJBMPQXAG-UHFFFAOYSA-N 0 0 528.407 3.678 50 0 KHAARN O=C(c1ccccc1Br)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000102649481 554994791 /nfs/dbraw/zinc/99/47/91/554994791.db2.gz RHAUSLSGPWPCNP-UHFFFAOYSA-N 0 0 528.407 3.678 50 0 KHAARN O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000102649503 554994804 /nfs/dbraw/zinc/99/48/04/554994804.db2.gz OZVRVGKXIKZAKC-UHFFFAOYSA-N 0 0 528.407 3.678 50 0 KHAARN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)sc3n2)CC1 ZINC000102649794 554995141 /nfs/dbraw/zinc/99/51/41/554995141.db2.gz AWKCUFCXDPJBCY-UHFFFAOYSA-N 0 0 524.990 3.550 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccc(F)cc4)sc3n2)CC1 ZINC000102649899 554995250 /nfs/dbraw/zinc/99/52/50/554995250.db2.gz NXZPEOZVDASDBK-UHFFFAOYSA-N 0 0 528.997 3.969 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000102649921 554995287 /nfs/dbraw/zinc/99/52/87/554995287.db2.gz NHCWQCRPPVUVER-QBGJMPKQSA-N 0 0 612.754 3.677 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000102649924 554995265 /nfs/dbraw/zinc/99/52/65/554995265.db2.gz NHCWQCRPPVUVER-SJALUMQSSA-N 0 0 612.754 3.677 50 0 KHAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)cc2=O)s1 ZINC000102649925 554995346 /nfs/dbraw/zinc/99/53/46/554995346.db2.gz JCBACBMUCFYSMD-UHFFFAOYSA-N 0 0 528.997 3.969 50 0 KHAARN COc1cccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc(F)c(Cl)c5)CC4)cc3=O)s2)c1 ZINC000102649997 554995249 /nfs/dbraw/zinc/99/52/49/554995249.db2.gz KDXNLTMYENZLJY-UHFFFAOYSA-N 0 0 528.997 3.969 50 0 KHAARN COc1ccc(-c2nn3c(nc(CN4CCN(C(=O)Nc5ccc(F)c(Cl)c5)CC4)cc3=O)s2)cc1 ZINC000102650017 554995234 /nfs/dbraw/zinc/99/52/34/554995234.db2.gz FAYSQWMLQNVBJZ-UHFFFAOYSA-N 0 0 528.997 3.969 50 0 KHAARN C[C@@H](C(=O)Oc1ccc([C@@H]2c3c([nH]c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)cc1)N1C(=O)c2ccccc2C1=O ZINC000102650981 554995979 /nfs/dbraw/zinc/99/59/79/554995979.db2.gz ZZFXJINZKHLXFC-NYHFZMIOSA-N 0 0 574.549 3.625 50 0 KHAARN C[C@H](C(=O)Oc1ccc([C@@H]2c3c([nH]c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)cc1)N1C(=O)c2ccccc2C1=O ZINC000102650982 554996009 /nfs/dbraw/zinc/99/60/09/554996009.db2.gz ZZFXJINZKHLXFC-QRQCRPRQSA-N 0 0 574.549 3.625 50 0 KHAARN C[C@@H](C(=O)Oc1ccc([C@H]2c3c([nH]c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)cc1)N1C(=O)c2ccccc2C1=O ZINC000102650985 554995921 /nfs/dbraw/zinc/99/59/21/554995921.db2.gz ZZFXJINZKHLXFC-OYHNWAKOSA-N 0 0 574.549 3.625 50 0 KHAARN C[C@H](C(=O)Oc1ccc([C@H]2c3c([nH]c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)C32)cc1)N1C(=O)c2ccccc2C1=O ZINC000102650987 554995930 /nfs/dbraw/zinc/99/59/30/554995930.db2.gz ZZFXJINZKHLXFC-IVZQSRNASA-N 0 0 574.549 3.625 50 0 KHAARN CCOc1ccccc1CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000102652093 554996481 /nfs/dbraw/zinc/99/64/81/554996481.db2.gz HNXFHAUEEZQLLT-IRLDBZIGSA-N 0 0 531.535 3.614 50 0 KHAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C/C=C/c3ccc(OC)cc3)C2)nn1 ZINC000102652646 554996778 /nfs/dbraw/zinc/99/67/78/554996778.db2.gz HVISMYWOCNAZFV-FAJVEGQNSA-N 0 0 543.546 3.737 50 0 KHAARN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)CCN1C(=O)[C@@]1(C)CC1(Br)Br ZINC000102660817 555000485 /nfs/dbraw/zinc/00/04/85/555000485.db2.gz ALRWZORIBKEKMU-OASPWFOLSA-N 0 0 579.953 3.838 50 0 KHAARN C[C@@H]1CN(C(=O)[C@@]2(C)CC2(Br)Br)CCN1C(=O)[C@]1(C)CC1(Br)Br ZINC000102660819 555000469 /nfs/dbraw/zinc/00/04/69/555000469.db2.gz ALRWZORIBKEKMU-WQAKAFBOSA-N 0 0 579.953 3.838 50 0 KHAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(C)cc3C)C2)c1C(=O)OC ZINC000102662359 1066209776 /nfs/dbraw/zinc/20/97/76/1066209776.db2.gz QKVKPSUSPBKJEK-UNMCSNQZSA-N 0 0 537.642 3.644 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(CN4CCN(Cc5cccnc5)CC4)c3)CC2)cc1OC ZINC000102664237 1066209700 /nfs/dbraw/zinc/20/97/00/1066209700.db2.gz XJNXKXOOPGDDSD-UHFFFAOYSA-N 0 0 566.724 3.649 50 0 KHAARN O=S(=O)(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1ccccc1C(F)(F)F ZINC000102664720 555001445 /nfs/dbraw/zinc/00/14/45/555001445.db2.gz DEJVNIYEAQNMFV-UHFFFAOYSA-N 0 0 535.592 3.565 50 0 KHAARN COCC(=O)Nc1ccc(N2CCCN(C(=O)NC3CCCCC3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000102664845 555001525 /nfs/dbraw/zinc/00/15/25/555001525.db2.gz RVLHVZTUDAAJLS-UHFFFAOYSA-N 0 0 539.652 3.895 50 0 KHAARN COCC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c(C(=O)NCc2ccc(F)cc2)c1 ZINC000102664851 555001508 /nfs/dbraw/zinc/00/15/08/555001508.db2.gz ZORJBTKAEHRVQL-UHFFFAOYSA-N 0 0 537.567 3.834 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000102667516 555001989 /nfs/dbraw/zinc/00/19/89/555001989.db2.gz RIPQOXDAXOAYFG-QIJUGHKUSA-N 0 0 528.618 3.753 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000102667519 555001946 /nfs/dbraw/zinc/00/19/46/555001946.db2.gz RIPQOXDAXOAYFG-BWAGFHJFSA-N 0 0 528.618 3.753 50 0 KHAARN CCc1ccc(CN2C[C@@H](n3nnc(C(=O)OC)c3C(=O)OC)C[C@H]2C(=O)Nc2cccc(SC)c2)cc1 ZINC000102669568 1066209738 /nfs/dbraw/zinc/20/97/38/1066209738.db2.gz FDOLQNZQMWZTNX-UNMCSNQZSA-N 0 0 537.642 3.590 50 0 KHAARN COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)cc1Cl ZINC000102671815 555002692 /nfs/dbraw/zinc/00/26/92/555002692.db2.gz NDDOGGDRIHMWTM-UHFFFAOYSA-N 0 0 536.050 3.696 50 0 KHAARN COc1cc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1Cl ZINC000102671862 555002633 /nfs/dbraw/zinc/00/26/33/555002633.db2.gz KGUUFQTVARPTMK-SFHVURJKSA-N 0 0 536.050 3.696 50 0 KHAARN COc1cc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1Cl ZINC000102671866 555002647 /nfs/dbraw/zinc/00/26/47/555002647.db2.gz KGUUFQTVARPTMK-GOSISDBHSA-N 0 0 536.050 3.696 50 0 KHAARN COc1cc(Cl)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)c(OC)c1 ZINC000102671922 555002778 /nfs/dbraw/zinc/00/27/78/555002778.db2.gz BLSNMWDDXWYKHV-SFHVURJKSA-N 0 0 536.050 3.696 50 0 KHAARN COc1cc(Cl)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)c(OC)c1 ZINC000102671924 555002775 /nfs/dbraw/zinc/00/27/75/555002775.db2.gz BLSNMWDDXWYKHV-GOSISDBHSA-N 0 0 536.050 3.696 50 0 KHAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)cc2[C@@H]1c1ccccc1 ZINC000102673080 555002817 /nfs/dbraw/zinc/00/28/17/555002817.db2.gz ZQKBAMUHIXPHRU-NDEPHWFRSA-N 0 0 532.666 3.911 50 0 KHAARN CCC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CCN(C(C)=O)CC4)cs3)cc2[C@H]1c1ccccc1 ZINC000102673083 555002843 /nfs/dbraw/zinc/00/28/43/555002843.db2.gz ZQKBAMUHIXPHRU-MUUNZHRXSA-N 0 0 532.666 3.911 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000102673408 555003102 /nfs/dbraw/zinc/00/31/02/555003102.db2.gz LDWALUAJFMSBHD-UHFFFAOYSA-N 0 0 546.571 3.823 50 0 KHAARN COCc1ccc(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)o1 ZINC000102674355 1066209599 /nfs/dbraw/zinc/20/95/99/1066209599.db2.gz CYQVSISHQAUNFC-GJZUVCINSA-N 0 0 529.597 3.526 50 0 KHAARN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)c1 ZINC000102674678 555003540 /nfs/dbraw/zinc/00/35/40/555003540.db2.gz KEJDVPNUTRLTEF-UHFFFAOYSA-N 0 0 534.682 3.929 50 0 KHAARN CC(=O)N1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@H](c3cccc(F)c3)N(C(C)=O)CC4)n2)CC1 ZINC000102675708 555004101 /nfs/dbraw/zinc/00/41/01/555004101.db2.gz XFLQSWHXXZHFEN-MHZLTWQESA-N 0 0 536.629 3.660 50 0 KHAARN CC(=O)N1CCN(C(=O)c2csc(COc3ccc4c(c3)[C@@H](c3cccc(F)c3)N(C(C)=O)CC4)n2)CC1 ZINC000102675712 555004068 /nfs/dbraw/zinc/00/40/68/555004068.db2.gz XFLQSWHXXZHFEN-HHHXNRCGSA-N 0 0 536.629 3.660 50 0 KHAARN Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)n1 ZINC000102683734 555006711 /nfs/dbraw/zinc/00/67/11/555006711.db2.gz PFOYIDWVCUWCEY-UHFFFAOYSA-N 0 0 535.411 3.644 50 0 KHAARN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102687092 555007179 /nfs/dbraw/zinc/00/71/79/555007179.db2.gz UXUIXYUAQQLGMD-AEGPPILISA-N 0 0 506.349 3.979 50 0 KHAARN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102687094 555007199 /nfs/dbraw/zinc/00/71/99/555007199.db2.gz UXUIXYUAQQLGMD-QEJZJMRPSA-N 0 0 506.349 3.979 50 0 KHAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc(F)cc2Cl)C(=O)CS3)CC1 ZINC000102689950 555008016 /nfs/dbraw/zinc/00/80/16/555008016.db2.gz SNQZJFULTWPJNI-UHFFFAOYSA-N 0 0 526.055 3.655 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102691234 555008275 /nfs/dbraw/zinc/00/82/75/555008275.db2.gz GEMOXUNKAPMXRM-NDEPHWFRSA-N 0 0 588.636 3.715 50 0 KHAARN 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/nfs/dbraw/zinc/01/13/88/555011388.db2.gz XXLGGGNTRIGJLH-UHFFFAOYSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000102696831 555011355 /nfs/dbraw/zinc/01/13/55/555011355.db2.gz RYBZTEQEZOACNP-UHFFFAOYSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000102696836 555011280 /nfs/dbraw/zinc/01/12/80/555011280.db2.gz QCCMIYCVMFHITA-UHFFFAOYSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000102696986 555011636 /nfs/dbraw/zinc/01/16/36/555011636.db2.gz VQQBBCUENUAMQL-XMMPIXPASA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2C)C1 ZINC000102696988 555011605 /nfs/dbraw/zinc/01/16/05/555011605.db2.gz VQQBBCUENUAMQL-DEOSSOPVSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000102697032 555011640 /nfs/dbraw/zinc/01/16/40/555011640.db2.gz KVHFUXDQPNTIJF-XMMPIXPASA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000102697033 555011642 /nfs/dbraw/zinc/01/16/42/555011642.db2.gz KVHFUXDQPNTIJF-DEOSSOPVSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000102697036 555011617 /nfs/dbraw/zinc/01/16/17/555011617.db2.gz YDPXJSCYJUYMTI-XMMPIXPASA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000102697038 555011624 /nfs/dbraw/zinc/01/16/24/555011624.db2.gz YDPXJSCYJUYMTI-DEOSSOPVSA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000102697056 555011591 /nfs/dbraw/zinc/01/15/91/555011591.db2.gz BOJFKMDZLLVXKS-XMMPIXPASA-N 0 0 549.697 3.745 50 0 KHAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(C)c2)C1 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COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c4ccccc34)C2)cc1 ZINC000102706583 1066209642 /nfs/dbraw/zinc/20/96/42/1066209642.db2.gz BIGYKJMGZYAWBC-WIOYSNFSSA-N 0 0 540.707 3.896 50 0 KHAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c4ccccc34)C2)cc1 ZINC000102706588 1066209476 /nfs/dbraw/zinc/20/94/76/1066209476.db2.gz BIGYKJMGZYAWBC-CLLDFNAGSA-N 0 0 540.707 3.896 50 0 KHAARN CCOC(=O)C1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc(OC)cc3)c2)CC1 ZINC000102707506 555015593 /nfs/dbraw/zinc/01/55/93/555015593.db2.gz SGIPSPLADLHXKU-RDGATRHJSA-N 0 0 634.755 3.697 50 0 KHAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(Cc3cccc(-c4ccccc4C)c3)C2)c1C(=O)OC ZINC000102709578 1066209667 /nfs/dbraw/zinc/20/96/67/1066209667.db2.gz GRVSNJQSZDNADT-DHLKQENFSA-N 0 0 557.607 3.552 50 0 KHAARN COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)c5ccccc5-n5cccn5)CC4)c3C2=O)c1 ZINC000102709698 555016165 /nfs/dbraw/zinc/01/61/65/555016165.db2.gz 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50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@H]1c1ccc(OC)cc1OC ZINC000102745585 555037695 /nfs/dbraw/zinc/03/76/95/555037695.db2.gz ILJPARJQAMIJRL-QHCPKHFHSA-N 0 0 503.621 3.631 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC(C)C)N2[C@@H]1c1ccc(OC)cc1OC ZINC000102745588 555037747 /nfs/dbraw/zinc/03/77/47/555037747.db2.gz ILJPARJQAMIJRL-HSZRJFAPSA-N 0 0 503.621 3.631 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCCc4ccccc4)C(=O)N32)cc1OC ZINC000102745611 555037756 /nfs/dbraw/zinc/03/77/56/555037756.db2.gz DFGIXFQYEPHDQK-AREMUKBSSA-N 0 0 613.740 3.894 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCCc4ccccc4)C(=O)N32)cc1OC ZINC000102745616 555037687 /nfs/dbraw/zinc/03/76/87/555037687.db2.gz DFGIXFQYEPHDQK-SANMLTNESA-N 0 0 613.740 3.894 50 0 KHAARN COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1 ZINC000102746138 555038373 /nfs/dbraw/zinc/03/83/73/555038373.db2.gz IHPULDNJKAYWJD-CYFREDJKSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1 ZINC000102746141 555038341 /nfs/dbraw/zinc/03/83/41/555038341.db2.gz IHPULDNJKAYWJD-YADARESESA-N 0 0 515.632 3.916 50 0 KHAARN COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1 ZINC000102746147 555038421 /nfs/dbraw/zinc/03/84/21/555038421.db2.gz IHPULDNJKAYWJD-DVECYGJZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cc(OC)cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1 ZINC000102746149 555038408 /nfs/dbraw/zinc/03/84/08/555038408.db2.gz IHPULDNJKAYWJD-NTKDMRAZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1 ZINC000102746162 555038400 /nfs/dbraw/zinc/03/84/00/555038400.db2.gz YRJOAYNSVDEMLE-CYFREDJKSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1 ZINC000102746165 555038362 /nfs/dbraw/zinc/03/83/62/555038362.db2.gz YRJOAYNSVDEMLE-YADARESESA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1 ZINC000102746166 555038346 /nfs/dbraw/zinc/03/83/46/555038346.db2.gz YRJOAYNSVDEMLE-DVECYGJZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1 ZINC000102746168 555038368 /nfs/dbraw/zinc/03/83/68/555038368.db2.gz YRJOAYNSVDEMLE-NTKDMRAZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c(OC)c1 ZINC000102746202 555038424 /nfs/dbraw/zinc/03/84/24/555038424.db2.gz FWFOCVNXYIGOMG-CYFREDJKSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c(OC)c1 ZINC000102746204 555038651 /nfs/dbraw/zinc/03/86/51/555038651.db2.gz FWFOCVNXYIGOMG-YADARESESA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c(OC)c1 ZINC000102746207 555038654 /nfs/dbraw/zinc/03/86/54/555038654.db2.gz FWFOCVNXYIGOMG-DVECYGJZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c(OC)c1 ZINC000102746209 555038600 /nfs/dbraw/zinc/03/86/00/555038600.db2.gz FWFOCVNXYIGOMG-NTKDMRAZSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1OC ZINC000102746211 555038720 /nfs/dbraw/zinc/03/87/20/555038720.db2.gz NOUANQZOOLJZSX-MBSDFSHPSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@@H]4CCCO4)N32)c1OC ZINC000102746214 555038701 /nfs/dbraw/zinc/03/87/01/555038701.db2.gz NOUANQZOOLJZSX-FDDCHVKYSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1OC ZINC000102746218 555038677 /nfs/dbraw/zinc/03/86/77/555038677.db2.gz NOUANQZOOLJZSX-JPYJTQIMSA-N 0 0 515.632 3.916 50 0 KHAARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NC[C@H]4CCCO4)N32)c1OC ZINC000102746223 555038714 /nfs/dbraw/zinc/03/87/14/555038714.db2.gz NOUANQZOOLJZSX-WZONZLPQSA-N 0 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3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000102746397 555038943 /nfs/dbraw/zinc/03/89/43/555038943.db2.gz KVHPOBACMCCGBH-MBSDFSHPSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000102746398 555038879 /nfs/dbraw/zinc/03/88/79/555038879.db2.gz KVHPOBACMCCGBH-WZONZLPQSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000102746401 555038838 /nfs/dbraw/zinc/03/88/38/555038838.db2.gz KVHPOBACMCCGBH-JPYJTQIMSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000102746441 555038945 /nfs/dbraw/zinc/03/89/45/555038945.db2.gz UMMSOZQAAUCDLY-FDDCHVKYSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cc(OC)ccc1OC ZINC000102746442 555038846 /nfs/dbraw/zinc/03/88/46/555038846.db2.gz UMMSOZQAAUCDLY-MBSDFSHPSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cc(OC)ccc1OC ZINC000102746445 555038924 /nfs/dbraw/zinc/03/89/24/555038924.db2.gz UMMSOZQAAUCDLY-WZONZLPQSA-N 0 0 501.605 3.527 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cc(OC)ccc1OC ZINC000102746447 555038862 /nfs/dbraw/zinc/03/88/62/555038862.db2.gz UMMSOZQAAUCDLY-JPYJTQIMSA-N 0 0 501.605 3.527 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NC4CCCCC4)C(=O)N32)cc1OC ZINC000102746466 555038824 /nfs/dbraw/zinc/03/88/24/555038824.db2.gz DRYWFBYHZNIIGD-XMMPIXPASA-N 0 0 591.734 3.984 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NC4CCCCC4)C(=O)N32)cc1OC ZINC000102746471 555038873 /nfs/dbraw/zinc/03/88/73/555038873.db2.gz DRYWFBYHZNIIGD-DEOSSOPVSA-N 0 0 591.734 3.984 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102746557 555039078 /nfs/dbraw/zinc/03/90/78/555039078.db2.gz PJQILRQPVPOFGT-UGKGYDQZSA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102746561 555039056 /nfs/dbraw/zinc/03/90/56/555039056.db2.gz PJQILRQPVPOFGT-SIKLNZKXSA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccc(Cl)cc1 ZINC000102746563 555039098 /nfs/dbraw/zinc/03/90/98/555039098.db2.gz PJQILRQPVPOFGT-KNQAVFIVSA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000102746565 555039074 /nfs/dbraw/zinc/03/90/74/555039074.db2.gz PJQILRQPVPOFGT-DENIHFKCSA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccccc1Cl ZINC000102746598 555039126 /nfs/dbraw/zinc/03/91/26/555039126.db2.gz RHKZHKWEZVIAKE-JTSKRJEESA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccccc1Cl ZINC000102746601 555039094 /nfs/dbraw/zinc/03/90/94/555039094.db2.gz RHKZHKWEZVIAKE-HTAPYJJXSA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccccc1Cl ZINC000102746602 555039343 /nfs/dbraw/zinc/03/93/43/555039343.db2.gz RHKZHKWEZVIAKE-VGSWGCGISA-N 0 0 506.024 3.790 50 0 KHAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccccc1Cl ZINC000102746605 555039283 /nfs/dbraw/zinc/03/92/83/555039283.db2.gz RHKZHKWEZVIAKE-VGOFRKELSA-N 0 0 506.024 3.790 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1OC ZINC000102746692 555039650 /nfs/dbraw/zinc/03/96/50/555039650.db2.gz WJNJQDUBWWFIPN-XMMPIXPASA-N 0 0 603.676 3.600 50 0 KHAARN COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1OC ZINC000102746694 555039565 /nfs/dbraw/zinc/03/95/65/555039565.db2.gz WJNJQDUBWWFIPN-DEOSSOPVSA-N 0 0 603.676 3.600 50 0 KHAARN CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102746872 555039860 /nfs/dbraw/zinc/03/98/60/555039860.db2.gz XFJCGSBBKZTJKE-XMMPIXPASA-N 0 0 565.662 3.987 50 0 KHAARN 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ZINC000102755984 555048589 /nfs/dbraw/zinc/04/85/89/555048589.db2.gz MQKVYGVURVNEPP-AREMUKBSSA-N 0 0 612.730 3.822 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc3ccc(N4CCOCC4)cc3c(=O)n2CCc2ccccc2)cc1OC ZINC000102756292 193915897 /nfs/dbraw/zinc/91/58/97/193915897.db2.gz QHQVXOJBNSXFLN-UHFFFAOYSA-N 0 0 588.730 3.944 50 0 KHAARN COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)NCc2ccccc2)cc1OC ZINC000102756340 555048988 /nfs/dbraw/zinc/04/89/88/555048988.db2.gz PYXWPLGNOFSNKP-UHFFFAOYSA-N 0 0 574.703 3.902 50 0 KHAARN CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1 ZINC000102756345 555049039 /nfs/dbraw/zinc/04/90/39/555049039.db2.gz YKNNNUUPDAVDAT-UHFFFAOYSA-N 0 0 540.686 3.501 50 0 KHAARN COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)NCCc2ccccc2)cc1OC ZINC000102756349 555048997 /nfs/dbraw/zinc/04/89/97/555048997.db2.gz DIGDSHKIKSQXLN-UHFFFAOYSA-N 0 0 588.730 3.944 50 0 KHAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000102758815 555050712 /nfs/dbraw/zinc/05/07/12/555050712.db2.gz BIGFEFWJMFFKMD-UHFFFAOYSA-N 0 0 563.630 3.916 50 0 KHAARN Cc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)CN2c1ccccc1 ZINC000102759044 555050990 /nfs/dbraw/zinc/05/09/90/555050990.db2.gz FTECBDYAFQAKST-UHFFFAOYSA-N 0 0 555.635 3.713 50 0 KHAARN COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2S(=O)(=O)NCCN2CCOCC2)CC1 ZINC000102759990 555051818 /nfs/dbraw/zinc/05/18/18/555051818.db2.gz HFTZOVUTKLBDBA-UHFFFAOYSA-N 0 0 614.168 3.538 50 0 KHAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000102760122 555051731 /nfs/dbraw/zinc/05/17/31/555051731.db2.gz WCWHCCYWIKMYMO-UHFFFAOYSA-N 0 0 543.624 3.774 50 0 KHAARN COc1ccc(NC(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000102760216 555052168 /nfs/dbraw/zinc/05/21/68/555052168.db2.gz JRPFDLCZFKWFEV-UHFFFAOYSA-N 0 0 549.653 3.836 50 0 KHAARN O=S(=O)(CCSc1nncn1CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000102762680 193920905 /nfs/dbraw/zinc/92/09/05/193920905.db2.gz BSQCVYGLYAKHNN-UHFFFAOYSA-N 0 0 595.360 3.843 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccccc1 ZINC000102763005 555053705 /nfs/dbraw/zinc/05/37/05/555053705.db2.gz GAWPEGYSEOOANT-HHHXNRCGSA-N 0 0 532.666 3.800 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccccc1 ZINC000102763006 555053711 /nfs/dbraw/zinc/05/37/11/555053711.db2.gz GAWPEGYSEOOANT-MHZLTWQESA-N 0 0 532.666 3.800 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@@H]1c1ccc(C)cc1C ZINC000102763816 555054166 /nfs/dbraw/zinc/05/41/66/555054166.db2.gz MKHULSWGOHQHMR-RUZDIDTESA-N 0 0 512.676 3.670 50 0 KHAARN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCCN3CCOCC3)N2[C@H]1c1ccc(C)cc1C ZINC000102763817 555054122 /nfs/dbraw/zinc/05/41/22/555054122.db2.gz MKHULSWGOHQHMR-VWLOTQADSA-N 0 0 512.676 3.670 50 0 KHAARN CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763857 555054109 /nfs/dbraw/zinc/05/41/09/555054109.db2.gz FRVADNZLASSRHH-VWLOTQADSA-N 0 0 512.676 3.670 50 0 KHAARN CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763860 555054147 /nfs/dbraw/zinc/05/41/47/555054147.db2.gz FRVADNZLASSRHH-RUZDIDTESA-N 0 0 512.676 3.670 50 0 KHAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CCN(c4ccccn4)CC3)C2=O)cc1Br ZINC000102769315 555057001 /nfs/dbraw/zinc/05/70/01/555057001.db2.gz AXJZEOYFYTXHCY-ULJHMMPZSA-N 0 0 549.425 3.968 50 0 KHAARN CCN1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)/C=C/c3ccccc3)c2)CC1 ZINC000102769513 555056882 /nfs/dbraw/zinc/05/68/82/555056882.db2.gz XSFDVPXOAXJBAY-YSRQOFBMSA-N 0 0 551.691 3.902 50 0 KHAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2cccc(Cl)c2)c1)N1CCC2(CC1)OCCO2 ZINC000102770323 555057990 /nfs/dbraw/zinc/05/79/90/555057990.db2.gz UAJAPDYYGXECML-GGAORHGYSA-N 0 0 625.147 3.905 50 0 KHAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCC2(CC1)OCCO2 ZINC000102771672 555060666 /nfs/dbraw/zinc/06/06/66/555060666.db2.gz KIXXKDJIIKHCIQ-GGAORHGYSA-N 0 0 625.147 3.905 50 0 KHAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)n3)CC2)cc1C ZINC000102771729 555060520 /nfs/dbraw/zinc/06/05/20/555060520.db2.gz HWMOVXFTAARYFA-UHFFFAOYSA-N 0 0 536.080 3.716 50 0 KHAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000102771759 555060657 /nfs/dbraw/zinc/06/06/57/555060657.db2.gz VIGRFXOWWKUWRW-UHFFFAOYSA-N 0 0 560.461 3.892 50 0 KHAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000102771986 555060990 /nfs/dbraw/zinc/06/09/90/555060990.db2.gz CDTLTKPEMIKFMF-UHFFFAOYSA-N 0 0 559.568 3.604 50 0 KHAARN COc1ccc(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000102772032 555060958 /nfs/dbraw/zinc/06/09/58/555060958.db2.gz CTHLQPQMXZSVNH-UHFFFAOYSA-N 0 0 566.702 3.697 50 0 KHAARN CCOc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OCC ZINC000102773845 555062392 /nfs/dbraw/zinc/06/23/92/555062392.db2.gz JHVQOSGUNVXPPL-UHFFFAOYSA-N 0 0 545.702 3.886 50 0 KHAARN COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(F)cc4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000102776559 555062939 /nfs/dbraw/zinc/06/29/39/555062939.db2.gz CDHBAYNFBRNTRZ-GKEZHXQVSA-N 0 0 547.627 3.963 50 0 biogenic KHAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(F)cc4)[C@@]4(C)C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000102776566 555062892 /nfs/dbraw/zinc/06/28/92/555062892.db2.gz CDHBAYNFBRNTRZ-RJYZMNFBSA-N 0 0 547.627 3.963 50 0 biogenic KHAARN COCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000102776641 555062955 /nfs/dbraw/zinc/06/29/55/555062955.db2.gz ADHQIBQECPYHBU-AMFHANJBSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000102776647 555062828 /nfs/dbraw/zinc/06/28/28/555062828.db2.gz ADHQIBQECPYHBU-XZMORJKJSA-N 0 0 536.456 3.568 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000102776834 555063134 /nfs/dbraw/zinc/06/31/34/555063134.db2.gz FLVBBIHEYLVCRJ-UOSZZINLSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000102776841 555063107 /nfs/dbraw/zinc/06/31/07/555063107.db2.gz FLVBBIHEYLVCRJ-XAFTVMCFSA-N 0 0 550.483 3.958 50 0 biogenic KHAARN COc1ccc(Br)cc1-c1nc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cs1 ZINC000102777327 555063136 /nfs/dbraw/zinc/06/31/36/555063136.db2.gz ZBHULIQLEDCSLX-ZDUSSCGKSA-N 0 0 568.471 3.950 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000102777408 555063304 /nfs/dbraw/zinc/06/33/04/555063304.db2.gz JRYOVLQQFJEIKN-IBGZPJMESA-N 0 0 556.635 3.524 50 0 KHAARN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102777537 555063327 /nfs/dbraw/zinc/06/33/27/555063327.db2.gz AEUVKAFUUWGPKD-AEGPPILISA-N 0 0 504.333 3.755 50 0 KHAARN CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H](C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000102777539 555063335 /nfs/dbraw/zinc/06/33/35/555063335.db2.gz AEUVKAFUUWGPKD-QEJZJMRPSA-N 0 0 504.333 3.755 50 0 KHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102777699 555063635 /nfs/dbraw/zinc/06/36/35/555063635.db2.gz AOGBHEKSXGXMMG-ZYSHUDEJSA-N 0 0 542.610 3.646 50 0 KHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000102777701 555063670 /nfs/dbraw/zinc/06/36/70/555063670.db2.gz AOGBHEKSXGXMMG-SNRMKQJTSA-N 0 0 542.610 3.646 50 0 KHAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102777703 555063715 /nfs/dbraw/zinc/06/37/15/555063715.db2.gz AOGBHEKSXGXMMG-KFKAGJAMSA-N 0 0 542.610 3.646 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000102777821 555063752 /nfs/dbraw/zinc/06/37/52/555063752.db2.gz LWFFMXMHWILVRK-HZGBGQKMSA-N 0 0 521.567 3.807 50 0 KHAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000102777847 555063818 /nfs/dbraw/zinc/06/38/18/555063818.db2.gz HPYSZJFQLYZFNZ-LJAQVGFWSA-N 0 0 563.720 3.800 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1 ZINC000102777875 555063756 /nfs/dbraw/zinc/06/37/56/555063756.db2.gz QZYBELAGAWTLSS-YHAMSUFESA-N 0 0 528.558 3.802 50 0 KHAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cc1 ZINC000102777877 555063774 /nfs/dbraw/zinc/06/37/74/555063774.db2.gz QZYBELAGAWTLSS-QMTYFTJSSA-N 0 0 528.558 3.802 50 0 KHAARN CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C\c2ccccc2)C(C)C)sc2c1CCC2 ZINC000102777998 1066533300 /nfs/dbraw/zinc/53/33/00/1066533300.db2.gz BFCFKXFCHKHCAN-MBWOQUJGSA-N 0 0 534.656 3.510 50 0 KHAARN CC(C)OC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@@H](C)C2 ZINC000102778002 555064207 /nfs/dbraw/zinc/06/42/07/555064207.db2.gz CESFXJQSSSGALH-HXOBKFHXSA-N 0 0 550.699 3.923 50 0 KHAARN CC(C)OC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@H](C)C2 ZINC000102778004 555064163 /nfs/dbraw/zinc/06/41/63/555064163.db2.gz CESFXJQSSSGALH-SBUREZEXSA-N 0 0 550.699 3.923 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@@H](C)C2 ZINC000102778061 555064159 /nfs/dbraw/zinc/06/41/59/555064159.db2.gz JFXQBLBLCJIELS-YVHKJVDXSA-N 0 0 550.699 3.923 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@@H](C)C2 ZINC000102778063 555064197 /nfs/dbraw/zinc/06/41/97/555064197.db2.gz JFXQBLBLCJIELS-JLHGSKIFSA-N 0 0 550.699 3.923 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@H](C)C2 ZINC000102778067 555064142 /nfs/dbraw/zinc/06/41/42/555064142.db2.gz JFXQBLBLCJIELS-JKSBSHDWSA-N 0 0 550.699 3.923 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)sc2c1CC[C@H](C)C2 ZINC000102778072 555064172 /nfs/dbraw/zinc/06/41/72/555064172.db2.gz JFXQBLBLCJIELS-HOIFWPIMSA-N 0 0 550.699 3.923 50 0 KHAARN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000102778108 1066533229 /nfs/dbraw/zinc/53/32/29/1066533229.db2.gz ATZGCCCTOXABQG-FHXOWUIVSA-N 0 0 528.439 3.513 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)C(C)C)c1 ZINC000102778144 555064095 /nfs/dbraw/zinc/06/40/95/555064095.db2.gz LLQJMCIYAXXINU-SANMLTNESA-N 0 0 575.728 3.960 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000102778166 555064182 /nfs/dbraw/zinc/06/41/82/555064182.db2.gz AHPJNWZSPHPISX-HNNXBMFYSA-N 0 0 534.587 3.580 50 0 KHAARN CCOc1ccc2nc(NC(=O)COC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2c1 ZINC000102778340 555064367 /nfs/dbraw/zinc/06/43/67/555064367.db2.gz GEAMMONZTVEIPT-SFHVURJKSA-N 0 0 524.020 3.683 50 0 KHAARN 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CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1 ZINC000102843024 555082908 /nfs/dbraw/zinc/08/29/08/555082908.db2.gz YFMQCPYUTZPWIA-UHFFFAOYSA-N 0 0 534.476 3.960 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc21 ZINC000102843029 555082803 /nfs/dbraw/zinc/08/28/03/555082803.db2.gz PLMPSQUIHQTNLP-UHFFFAOYSA-N 0 0 524.412 3.537 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)cc21 ZINC000102843035 555082903 /nfs/dbraw/zinc/08/29/03/555082903.db2.gz SWCMMSVQHFCPQV-INIZCTEOSA-N 0 0 534.476 3.636 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)cc21 ZINC000102843038 555082916 /nfs/dbraw/zinc/08/29/16/555082916.db2.gz SWCMMSVQHFCPQV-MRXNPFEDSA-N 0 0 534.476 3.636 50 0 KHAARN CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)c1 ZINC000102843049 555082842 /nfs/dbraw/zinc/08/28/42/555082842.db2.gz OAPUYILBNSUFIJ-UHFFFAOYSA-N 0 0 534.476 3.960 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N(C)c4cccc(C)c4)CC3)cc21 ZINC000102843054 555082831 /nfs/dbraw/zinc/08/28/31/555082831.db2.gz GNYGRAYPWFEWID-UHFFFAOYSA-N 0 0 534.476 3.730 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)cc4)CC3)cc21 ZINC000102843058 555082779 /nfs/dbraw/zinc/08/27/79/555082779.db2.gz GUWPKNACDSHCHP-UHFFFAOYSA-N 0 0 524.412 3.537 50 0 KHAARN CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)c1 ZINC000102843060 555082839 /nfs/dbraw/zinc/08/28/39/555082839.db2.gz JALIEMHKFRCLMD-UHFFFAOYSA-N 0 0 548.459 3.600 50 0 KHAARN CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000102843067 555082890 /nfs/dbraw/zinc/08/28/90/555082890.db2.gz DDVWLLOQTKUJHL-UHFFFAOYSA-N 0 0 550.475 3.796 50 0 KHAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000102843074 555082894 /nfs/dbraw/zinc/08/28/94/555082894.db2.gz VNCJUBHEYRSJHI-UHFFFAOYSA-N 0 0 550.475 3.715 50 0 KHAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)Nc4cc(F)ccc4F)CC3)cc21 ZINC000102843082 555082861 /nfs/dbraw/zinc/08/28/61/555082861.db2.gz FIJPWOPPLHKYDK-UHFFFAOYSA-N 0 0 542.402 3.676 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4nc(C)cs4)C3)cc21 ZINC000102843179 555083207 /nfs/dbraw/zinc/08/32/07/555083207.db2.gz QVVRUDDFTPKBQL-HNNXBMFYSA-N 0 0 541.493 3.553 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4nc(C)cs4)C3)cc21 ZINC000102843181 555083232 /nfs/dbraw/zinc/08/32/32/555083232.db2.gz QVVRUDDFTPKBQL-OAHLLOKOSA-N 0 0 541.493 3.553 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)c1 ZINC000102843287 555083240 /nfs/dbraw/zinc/08/32/40/555083240.db2.gz NYMBVCXWTMJFGI-IBGZPJMESA-N 0 0 592.512 3.964 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)c1 ZINC000102843290 555083183 /nfs/dbraw/zinc/08/31/83/555083183.db2.gz NYMBVCXWTMJFGI-LJQANCHMSA-N 0 0 592.512 3.964 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCC[C@H]4CC)C3)cc21 ZINC000102843314 555083203 /nfs/dbraw/zinc/08/32/03/555083203.db2.gz KQOKMNAYXWEPIN-RTBURBONSA-N 0 0 540.524 3.940 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCCC[C@@H]4CC)C3)cc21 ZINC000102843315 555083213 /nfs/dbraw/zinc/08/32/13/555083213.db2.gz KQOKMNAYXWEPIN-MOPGFXCFSA-N 0 0 540.524 3.940 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCC[C@H]4CC)C3)cc21 ZINC000102843317 555083196 /nfs/dbraw/zinc/08/31/96/555083196.db2.gz KQOKMNAYXWEPIN-RBUKOAKNSA-N 0 0 540.524 3.940 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCC[C@@H]4CC)C3)cc21 ZINC000102843319 555083247 /nfs/dbraw/zinc/08/32/47/555083247.db2.gz KQOKMNAYXWEPIN-OALUTQOASA-N 0 0 540.524 3.940 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)cc1 ZINC000102843427 555083346 /nfs/dbraw/zinc/08/33/46/555083346.db2.gz BJUJSRIHXMYGHB-IBGZPJMESA-N 0 0 592.512 3.964 50 0 KHAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)CC)C2)cc1 ZINC000102843432 555083330 /nfs/dbraw/zinc/08/33/30/555083330.db2.gz BJUJSRIHXMYGHB-LJQANCHMSA-N 0 0 592.512 3.964 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3)cc21 ZINC000102843463 555083357 /nfs/dbraw/zinc/08/33/57/555083357.db2.gz HTNNSFCHJIPULY-FQEVSTJZSA-N 0 0 630.565 3.585 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)C3)cc21 ZINC000102843467 555083383 /nfs/dbraw/zinc/08/33/83/555083383.db2.gz HTNNSFCHJIPULY-HXUWFJFHSA-N 0 0 630.565 3.585 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102843564 555083606 /nfs/dbraw/zinc/08/36/06/555083606.db2.gz KHHXUFPQRPPMAO-UHFFFAOYSA-N 0 0 580.932 3.914 50 0 KHAARN Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)c1 ZINC000102843577 555083596 /nfs/dbraw/zinc/08/35/96/555083596.db2.gz VXRHGFDDLZTEHM-UHFFFAOYSA-N 0 0 574.541 3.878 50 0 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COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000102843633 555083691 /nfs/dbraw/zinc/08/36/91/555083691.db2.gz JYIBSYOFCHHMOK-UHFFFAOYSA-N 0 0 537.432 3.568 50 0 KHAARN CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000102843660 555083799 /nfs/dbraw/zinc/08/37/99/555083799.db2.gz TXYJPSOHJZGZID-UHFFFAOYSA-N 0 0 549.443 3.727 50 0 KHAARN COc1ccc(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1OC ZINC000102843680 555083820 /nfs/dbraw/zinc/08/38/20/555083820.db2.gz OTIWXHZPHPWCMP-UHFFFAOYSA-N 0 0 537.432 3.568 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000102843696 555083802 /nfs/dbraw/zinc/08/38/02/555083802.db2.gz HHXIMYUZODJUOP-UHFFFAOYSA-N 0 0 580.932 3.914 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000102843769 555083829 /nfs/dbraw/zinc/08/38/29/555083829.db2.gz DGPLACJFCQNPEZ-UHFFFAOYSA-N 0 0 574.541 3.693 50 0 KHAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NCc1ccc(Cl)cc1 ZINC000102843771 555083823 /nfs/dbraw/zinc/08/38/23/555083823.db2.gz WXXDOYAPBWYEDC-UHFFFAOYSA-N 0 0 525.852 3.882 50 0 KHAARN COc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4cc5c(cc4Br)CCN5C(C)=O)CC3)o2)cc1 ZINC000102844319 555084165 /nfs/dbraw/zinc/08/41/65/555084165.db2.gz DRVYTFCBUJHQDG-UHFFFAOYSA-N 0 0 561.458 3.985 50 0 KHAARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1-n1ccnc1 ZINC000102846834 555084310 /nfs/dbraw/zinc/08/43/10/555084310.db2.gz ZPVRJJHGWFWAQB-UHFFFAOYSA-N 0 0 530.650 3.845 50 0 KHAARN COCCn1c(CN(Cc2ccco2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000102847794 555084502 /nfs/dbraw/zinc/08/45/02/555084502.db2.gz RAJJCSSEOINZKM-UHFFFAOYSA-N 0 0 537.638 3.877 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000102849874 555084971 /nfs/dbraw/zinc/08/49/71/555084971.db2.gz FQTHCIIOJNEBGQ-HXUWFJFHSA-N 0 0 535.620 3.889 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000102849877 555084982 /nfs/dbraw/zinc/08/49/82/555084982.db2.gz FQTHCIIOJNEBGQ-FQEVSTJZSA-N 0 0 535.620 3.889 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000102849881 555085059 /nfs/dbraw/zinc/08/50/59/555085059.db2.gz CZQWBHRYOIZNCM-HXUWFJFHSA-N 0 0 535.620 3.889 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000102849884 555085133 /nfs/dbraw/zinc/08/51/33/555085133.db2.gz CZQWBHRYOIZNCM-FQEVSTJZSA-N 0 0 535.620 3.889 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3cc4ccccc4[nH]3)n2-c2ccccc2)CC1 ZINC000102850405 555085504 /nfs/dbraw/zinc/08/55/04/555085504.db2.gz XTHFVTYUUNMBFZ-UHFFFAOYSA-N 0 0 577.692 3.646 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000102850577 555085562 /nfs/dbraw/zinc/08/55/62/555085562.db2.gz DFRUTPWITDZSAQ-HXUWFJFHSA-N 0 0 535.620 3.889 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000102850579 555085500 /nfs/dbraw/zinc/08/55/00/555085500.db2.gz DFRUTPWITDZSAQ-FQEVSTJZSA-N 0 0 535.620 3.889 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2-c2cccc(C)c2)CC1 ZINC000102850595 555085467 /nfs/dbraw/zinc/08/54/67/555085467.db2.gz RUSGRNCLFAAUJA-UHFFFAOYSA-N 0 0 591.719 3.954 50 0 KHAARN CC[C@@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000102851062 555085809 /nfs/dbraw/zinc/08/58/09/555085809.db2.gz LJNFGHROXOLQPK-HXUWFJFHSA-N 0 0 535.620 3.889 50 0 KHAARN CC[C@H](C)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000102851064 555085805 /nfs/dbraw/zinc/08/58/05/555085805.db2.gz LJNFGHROXOLQPK-FQEVSTJZSA-N 0 0 535.620 3.889 50 0 KHAARN Cc1ccccc1Nc1nc(N)nc(CN(Cc2nc(N)nc(Nc3ccccc3C)n2)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000102852594 555086308 /nfs/dbraw/zinc/08/63/08/555086308.db2.gz XSJGPXKSPNMPEX-FQEVSTJZSA-N 0 0 626.751 3.736 50 0 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3.979 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2F)cc1 ZINC000102854797 555087476 /nfs/dbraw/zinc/08/74/76/555087476.db2.gz SMGPHERRXCGXJN-PMERELPUSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2F)cc1 ZINC000102854799 555087394 /nfs/dbraw/zinc/08/73/94/555087394.db2.gz SMGPHERRXCGXJN-SSEXGKCCSA-N 0 0 574.653 3.995 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000102854802 555087437 /nfs/dbraw/zinc/08/74/37/555087437.db2.gz PTETVOSSNAQHRA-SANMLTNESA-N 0 0 550.631 3.583 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCCC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000102854805 555087456 /nfs/dbraw/zinc/08/74/56/555087456.db2.gz PTETVOSSNAQHRA-AREMUKBSSA-N 0 0 550.631 3.583 50 0 KHAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1OCC ZINC000102854839 555087451 /nfs/dbraw/zinc/08/74/51/555087451.db2.gz AKVJEXCPOMJIAA-UHFFFAOYSA-N 0 0 534.638 3.970 50 0 KHAARN O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000102856042 555087709 /nfs/dbraw/zinc/08/77/09/555087709.db2.gz PIKUUPVEINLWSZ-UHFFFAOYSA-N 0 0 584.689 3.744 50 0 KHAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000102856441 555087956 /nfs/dbraw/zinc/08/79/56/555087956.db2.gz XAXIXSFKJMFULJ-UHFFFAOYSA-N 0 0 579.723 3.777 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000102856791 555088058 /nfs/dbraw/zinc/08/80/58/555088058.db2.gz KUPDXCUDIVWBBX-MHZLTWQESA-N 0 0 576.600 3.846 50 0 KHAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1F)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000102856799 555088033 /nfs/dbraw/zinc/08/80/33/555088033.db2.gz KUPDXCUDIVWBBX-HHHXNRCGSA-N 0 0 576.600 3.846 50 0 KHAARN COc1cc2ncn(CC(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)c2cc1OC ZINC000102856809 555088296 /nfs/dbraw/zinc/08/82/96/555088296.db2.gz CTQAWXYPABQIGN-UHFFFAOYSA-N 0 0 534.563 3.626 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000102856893 555088256 /nfs/dbraw/zinc/08/82/56/555088256.db2.gz HRDNQCBPSGKAOW-VWLOTQADSA-N 0 0 543.064 3.606 50 0 KHAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cc(OC)ccc1OC ZINC000102856896 555088254 /nfs/dbraw/zinc/08/82/54/555088254.db2.gz HRDNQCBPSGKAOW-RUZDIDTESA-N 0 0 543.064 3.606 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000102856992 555088290 /nfs/dbraw/zinc/08/82/90/555088290.db2.gz NGVARKDCKKMBHA-LJAQVGFWSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000102856994 555088287 /nfs/dbraw/zinc/08/82/87/555088287.db2.gz NGVARKDCKKMBHA-GDLZYMKVSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000102856999 555088246 /nfs/dbraw/zinc/08/82/46/555088246.db2.gz ZFEIHPOMTUPHGM-NDEPHWFRSA-N 0 0 548.684 3.733 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000102857003 555088276 /nfs/dbraw/zinc/08/82/76/555088276.db2.gz ZFEIHPOMTUPHGM-MUUNZHRXSA-N 0 0 548.684 3.733 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2OC)cc1 ZINC000102857093 555088575 /nfs/dbraw/zinc/08/85/75/555088575.db2.gz YNFVONRDULWHKF-SANMLTNESA-N 0 0 562.692 3.918 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2OC)cc1 ZINC000102857098 555088633 /nfs/dbraw/zinc/08/86/33/555088633.db2.gz YNFVONRDULWHKF-AREMUKBSSA-N 0 0 562.692 3.918 50 0 KHAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)c1 ZINC000102857128 555088563 /nfs/dbraw/zinc/08/85/63/555088563.db2.gz JJTSYFFVSVDHBI-QHCPKHFHSA-N 0 0 568.721 3.979 50 0 KHAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)c1 ZINC000102857133 555088653 /nfs/dbraw/zinc/08/86/53/555088653.db2.gz JJTSYFFVSVDHBI-HSZRJFAPSA-N 0 0 568.721 3.979 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000102859860 555090273 /nfs/dbraw/zinc/09/02/73/555090273.db2.gz KKJAUIDQDRXAOG-QHCPKHFHSA-N 0 0 558.651 3.904 50 0 KHAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000102859864 555090383 /nfs/dbraw/zinc/09/03/83/555090383.db2.gz KKJAUIDQDRXAOG-HSZRJFAPSA-N 0 0 558.651 3.904 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)o2)cc1 ZINC000102860367 555090520 /nfs/dbraw/zinc/09/05/20/555090520.db2.gz YVVIMOQXZKGFPM-UHFFFAOYSA-N 0 0 579.694 3.660 50 0 KHAARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(CCN2CCOCC2)C(=O)COc2ccc(Cl)cc2)cc1OC ZINC000102860699 555090822 /nfs/dbraw/zinc/09/08/22/555090822.db2.gz UQSIVKSBHWLTLD-UHFFFAOYSA-N 0 0 600.112 3.761 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4OC)[C@@H]3C2=O)cc1 ZINC000102862098 555092041 /nfs/dbraw/zinc/09/20/41/555092041.db2.gz NYIWAIRPVICZMQ-CCDWMCETSA-N 0 0 502.523 3.932 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000102862103 555091955 /nfs/dbraw/zinc/09/19/55/555091955.db2.gz NYIWAIRPVICZMQ-DSNGMDLFSA-N 0 0 502.523 3.932 50 0 KHAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102862313 555092341 /nfs/dbraw/zinc/09/23/41/555092341.db2.gz ITIGOZFZVCCQFJ-WAIKUNEKSA-N 0 0 533.547 4.000 50 0 KHAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102862316 555092187 /nfs/dbraw/zinc/09/21/87/555092187.db2.gz ITIGOZFZVCCQFJ-QMHKHESXSA-N 0 0 533.547 4.000 50 0 KHAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102862320 555092241 /nfs/dbraw/zinc/09/22/41/555092241.db2.gz ITIGOZFZVCCQFJ-MWTRTKDXSA-N 0 0 533.547 4.000 50 0 KHAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102862323 555092284 /nfs/dbraw/zinc/09/22/84/555092284.db2.gz ITIGOZFZVCCQFJ-HJPURHCSSA-N 0 0 533.547 4.000 50 0 KHAARN Cc1cc(C)cc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccc(Br)cc2)c1 ZINC000102864734 555094556 /nfs/dbraw/zinc/09/45/56/555094556.db2.gz YSOYEPLWCFVGEE-GOSISDBHSA-N 0 0 535.489 3.709 50 0 KHAARN Cc1cc(C)cc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nnc2-c2ccc(Br)cc2)c1 ZINC000102864736 555094623 /nfs/dbraw/zinc/09/46/23/555094623.db2.gz YSOYEPLWCFVGEE-SFHVURJKSA-N 0 0 535.489 3.709 50 0 KHAARN COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccc(Cl)cc2Cl)cnc1S(=O)(=O)Cc1ccccc1 ZINC000102870797 555101221 /nfs/dbraw/zinc/10/12/21/555101221.db2.gz FHKOHGOPOUBXCC-UHFFFAOYSA-N 0 0 595.549 3.785 50 0 KHAARN COCCn1c(CN(CCN2CCOCC2)C(=O)c2cccc(Cl)c2)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000102871525 555102203 /nfs/dbraw/zinc/10/22/03/555102203.db2.gz VBUPDCWGDMQYOI-UHFFFAOYSA-N 0 0 595.549 3.785 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cnc(S(=O)(=O)Cc3ccccc3C)n2CC(C)C)cc1 ZINC000102871626 555102478 /nfs/dbraw/zinc/10/24/78/555102478.db2.gz CQBXAACHBZPBBH-UHFFFAOYSA-N 0 0 568.740 3.805 50 0 KHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@H]2c1cccc(OC(=O)c2ccccc2F)c1 ZINC000102875522 555105531 /nfs/dbraw/zinc/10/55/31/555105531.db2.gz IXNWAPYZKUCKSB-OAQYLSRUSA-N 0 0 509.493 3.991 50 0 KHAARN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)C1[C@@H]2c1cccc(OC(=O)c2ccccc2F)c1 ZINC000102875525 555105480 /nfs/dbraw/zinc/10/54/80/555105480.db2.gz IXNWAPYZKUCKSB-NRFANRHFSA-N 0 0 509.493 3.991 50 0 KHAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000102883878 555112375 /nfs/dbraw/zinc/11/23/75/555112375.db2.gz OXIAMZUNZHYIHK-FQEVSTJZSA-N 0 0 577.688 3.677 50 0 KHAARN C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000102883880 555112195 /nfs/dbraw/zinc/11/21/95/555112195.db2.gz OXIAMZUNZHYIHK-HXUWFJFHSA-N 0 0 577.688 3.677 50 0 KHAARN COc1ccc(C=CC(=O)n2cnnc2SCC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000102885576 1066533234 /nfs/dbraw/zinc/53/32/34/1066533234.db2.gz SCBNYBAQRQKFQE-QBFSEMIESA-N 0 0 526.640 3.790 50 0 KHAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000102886294 555116613 /nfs/dbraw/zinc/11/66/13/555116613.db2.gz IVUVIIIJVHJBOD-UHFFFAOYSA-N 0 0 530.624 3.874 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(-c4ccc(OC)cc4)sc3c2=O)cc1 ZINC000102886621 555117229 /nfs/dbraw/zinc/11/72/29/555117229.db2.gz YYHMWFRKEHFOOM-UHFFFAOYSA-N 0 0 526.640 3.803 50 0 KHAARN O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102889346 555123518 /nfs/dbraw/zinc/12/35/18/555123518.db2.gz ZNIRWMILBQMOEC-UHFFFAOYSA-N 0 0 548.634 3.745 50 0 KHAARN Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000102892213 555128450 /nfs/dbraw/zinc/12/84/50/555128450.db2.gz WFKCPILDLXPBBI-ZHSNQQFMSA-N 0 0 500.780 3.842 50 0 KHAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)n2C ZINC000102892217 555128434 /nfs/dbraw/zinc/12/84/34/555128434.db2.gz PCQQCADIUXINHI-UHFFFAOYSA-N 0 0 581.689 3.968 50 0 KHAARN 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CCn1cc(C(=O)N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000102920653 555145818 /nfs/dbraw/zinc/14/58/18/555145818.db2.gz XTUJRHGGCSWZAF-UHFFFAOYSA-N 0 0 540.089 3.997 50 0 KHAARN CCn1cc(C(=O)NCc2ccccc2C(F)(F)F)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102920669 555145871 /nfs/dbraw/zinc/14/58/71/555145871.db2.gz LRTDEXCWWYMETG-UHFFFAOYSA-N 0 0 549.619 3.980 50 0 KHAARN CCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102920704 555145887 /nfs/dbraw/zinc/14/58/87/555145887.db2.gz XFXORFKKPSRZOE-UHFFFAOYSA-N 0 0 549.619 3.980 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)c1C ZINC000102920722 555145850 /nfs/dbraw/zinc/14/58/50/555145850.db2.gz NOQFLOXBQUBQCU-UHFFFAOYSA-N 0 0 537.564 3.699 50 0 KHAARN CCn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102920736 555146103 /nfs/dbraw/zinc/14/61/03/555146103.db2.gz RTPMXFYRTQVCQW-UHFFFAOYSA-N 0 0 549.619 3.980 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1C ZINC000102920765 555146098 /nfs/dbraw/zinc/14/60/98/555146098.db2.gz ZTMJWDHAHXQUFH-UHFFFAOYSA-N 0 0 537.564 3.699 50 0 KHAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(Br)c(C)c3)CC2)c1C ZINC000102920798 555146112 /nfs/dbraw/zinc/14/61/12/555146112.db2.gz IRUOXZDAJZKXBF-UHFFFAOYSA-N 0 0 546.491 3.871 50 0 KHAARN CCCOc1ccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000102920833 555146102 /nfs/dbraw/zinc/14/61/02/555146102.db2.gz GPJFKCOBRCJSST-UHFFFAOYSA-N 0 0 539.702 3.750 50 0 KHAARN CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102920932 555146276 /nfs/dbraw/zinc/14/62/76/555146276.db2.gz VCINVTIUEKNTNK-UHFFFAOYSA-N 0 0 532.066 3.945 50 0 KHAARN CCn1cc(C(=O)NCc2ccc(F)cc2Cl)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102921185 555146519 /nfs/dbraw/zinc/14/65/19/555146519.db2.gz XGJWKFGLNXPOJT-UHFFFAOYSA-N 0 0 534.057 3.753 50 0 KHAARN 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COC(=O)Cn1c(=O)c2c(=S)[nH]c(-c3c(Cl)cccc3Cl)nc2n(Cc2ccccc2)c1=O ZINC000102949879 555172741 /nfs/dbraw/zinc/17/27/41/555172741.db2.gz DJJDYSKCYPPIEW-UHFFFAOYSA-N 0 0 503.367 3.811 50 0 KHAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000102949893 555172756 /nfs/dbraw/zinc/17/27/56/555172756.db2.gz KNMZLYKQOWSGBC-UHFFFAOYSA-N 0 0 620.621 3.864 50 0 KHAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000102949898 555172778 /nfs/dbraw/zinc/17/27/78/555172778.db2.gz QNTCGVJHUXTJES-UHFFFAOYSA-N 0 0 599.775 3.514 50 0 KHAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000102949901 555172696 /nfs/dbraw/zinc/17/26/96/555172696.db2.gz PKUZHVHRYWMFAK-UHFFFAOYSA-N 0 0 613.802 3.655 50 0 KHAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000102950007 555172670 /nfs/dbraw/zinc/17/26/70/555172670.db2.gz DTEHWOPQCIKRQP-UHFFFAOYSA-N 0 0 617.765 3.653 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000102950228 555172762 /nfs/dbraw/zinc/17/27/62/555172762.db2.gz DHZUVGCRXOXBQE-UHFFFAOYSA-N 0 0 599.775 3.978 50 0 KHAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000102950389 555173012 /nfs/dbraw/zinc/17/30/12/555173012.db2.gz FQIIDPWNOPKLOD-UHFFFAOYSA-N 0 0 620.621 3.864 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1OC ZINC000102954640 555173468 /nfs/dbraw/zinc/17/34/68/555173468.db2.gz VXORSSFZFKKLNC-UHFFFAOYSA-N 0 0 528.491 3.670 50 0 KHAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000102955361 555173734 /nfs/dbraw/zinc/17/37/34/555173734.db2.gz WUPRLSRQIPARPM-UHFFFAOYSA-N 0 0 576.524 3.750 50 0 KHAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN(CC)c3ccccc3)cc21 ZINC000102955930 555173981 /nfs/dbraw/zinc/17/39/81/555173981.db2.gz FRDKNNKXMGGGGG-UHFFFAOYSA-N 0 0 536.492 3.555 50 0 KHAARN CC(C)CN(C(=O)COC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102956692 1066320592 /nfs/dbraw/zinc/32/05/92/1066320592.db2.gz NJYRVQKWCNZOPF-LUAWRHEFSA-N 0 0 545.423 3.720 50 0 KHAARN O=C(/C=C\C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000102958298 1066320657 /nfs/dbraw/zinc/32/06/57/1066320657.db2.gz YZGDEWCAHKUPHQ-KTKRTIGZSA-N 0 0 550.364 3.704 50 0 KHAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000102959172 555174722 /nfs/dbraw/zinc/17/47/22/555174722.db2.gz PMIVIBTWPDXZKK-UHFFFAOYSA-N 0 0 532.899 3.734 50 0 KHAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2N2CCOCC2)cc1 ZINC000102961334 555176760 /nfs/dbraw/zinc/17/67/60/555176760.db2.gz KKSZYWMBAXXGKT-UHFFFAOYSA-N 0 0 535.578 3.691 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)Cc2cc(Cl)ccc2OCc2nc(CO)cs2)cc1 ZINC000102963757 555179495 /nfs/dbraw/zinc/17/94/95/555179495.db2.gz CKKLTJVKKDZVAF-UHFFFAOYSA-N 0 0 532.062 3.851 50 0 KHAARN CCOc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1OCc1c(C)no[n+]1[O-] ZINC000102967565 555180342 /nfs/dbraw/zinc/18/03/42/555180342.db2.gz DVZIBQRWMSGFNU-UHFFFAOYSA-N 0 0 540.613 3.827 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1 ZINC000102968518 555180965 /nfs/dbraw/zinc/18/09/65/555180965.db2.gz FJAXDJJRXMOWRN-UHFFFAOYSA-N 0 0 599.175 3.634 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102970360 555181238 /nfs/dbraw/zinc/18/12/38/555181238.db2.gz KHURTBZQRVYCCU-ONQWYEKWSA-N 0 0 599.517 3.725 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102970362 555181102 /nfs/dbraw/zinc/18/11/02/555181102.db2.gz KHURTBZQRVYCCU-VAZXNAHHSA-N 0 0 599.517 3.725 50 0 KHAARN O=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000102972449 555182148 /nfs/dbraw/zinc/18/21/48/555182148.db2.gz IOTKINPAUPDDPX-UHFFFAOYSA-N 0 0 526.011 3.917 50 0 KHAARN O=S(=O)(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1 ZINC000102972554 555182407 /nfs/dbraw/zinc/18/24/07/555182407.db2.gz FAMHELHSXOMBMK-UHFFFAOYSA-N 0 0 526.011 3.917 50 0 KHAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000102972766 555182749 /nfs/dbraw/zinc/18/27/49/555182749.db2.gz JZBVMSUVXAJGNS-UHFFFAOYSA-N 0 0 566.057 3.549 50 0 KHAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102973322 555183254 /nfs/dbraw/zinc/18/32/54/555183254.db2.gz XASHKBDRPGZTLH-UHFFFAOYSA-N 0 0 530.624 3.630 50 0 KHAARN COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C ZINC000102974705 555184434 /nfs/dbraw/zinc/18/44/34/555184434.db2.gz AKEVJXAKZAYQLS-UHFFFAOYSA-N 0 0 529.640 3.841 50 0 KHAARN O=S(=O)(Oc1c(I)cc(I)c2cccnc21)c1ccc2c(c1)OCCO2 ZINC000102974820 555184692 /nfs/dbraw/zinc/18/46/92/555184692.db2.gz AZXDCDQVKXMDTB-UHFFFAOYSA-N 0 0 595.152 3.983 50 0 KHAARN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c2)c1 ZINC000102975118 555184591 /nfs/dbraw/zinc/18/45/91/555184591.db2.gz CHCFQRXMUVZVNU-KRWDZBQOSA-N 0 0 546.827 3.588 50 0 KHAARN Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c2)c1 ZINC000102975119 555184587 /nfs/dbraw/zinc/18/45/87/555184587.db2.gz CHCFQRXMUVZVNU-QGZVFWFLSA-N 0 0 546.827 3.588 50 0 KHAARN Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C ZINC000102975416 555185359 /nfs/dbraw/zinc/18/53/59/555185359.db2.gz HCKLEIFODADNBE-NRFANRHFSA-N 0 0 574.659 3.810 50 0 KHAARN Cc1c(NS(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c2)c(=O)n(-c2ccccc2)n1C ZINC000102975418 555185415 /nfs/dbraw/zinc/18/54/15/555185415.db2.gz HCKLEIFODADNBE-OAQYLSRUSA-N 0 0 574.659 3.810 50 0 KHAARN C[C@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102975506 555185622 /nfs/dbraw/zinc/18/56/22/555185622.db2.gz UAWUKKOPWSFZNZ-IBGZPJMESA-N 0 0 546.605 3.502 50 0 KHAARN C[C@@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102975508 555185675 /nfs/dbraw/zinc/18/56/75/555185675.db2.gz UAWUKKOPWSFZNZ-LJQANCHMSA-N 0 0 546.605 3.502 50 0 KHAARN C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000102975595 555186057 /nfs/dbraw/zinc/18/60/57/555186057.db2.gz PTMBKDRYTULLIX-KRWDZBQOSA-N 0 0 545.564 3.786 50 0 KHAARN C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000102975597 555185891 /nfs/dbraw/zinc/18/58/91/555185891.db2.gz PTMBKDRYTULLIX-QGZVFWFLSA-N 0 0 545.564 3.786 50 0 KHAARN C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000102975677 555185915 /nfs/dbraw/zinc/18/59/15/555185915.db2.gz YRJFEVVFALFRTP-IBGZPJMESA-N 0 0 546.605 3.502 50 0 KHAARN C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000102975680 555185911 /nfs/dbraw/zinc/18/59/11/555185911.db2.gz YRJFEVVFALFRTP-LJQANCHMSA-N 0 0 546.605 3.502 50 0 KHAARN CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCN(c3ccccc3OCC)CC2)cc1 ZINC000102975939 555186226 /nfs/dbraw/zinc/18/62/26/555186226.db2.gz HVSKDEKZBMQMBF-MUUNZHRXSA-N 0 0 549.693 3.948 50 0 KHAARN CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCN(c3ccccc3OCC)CC2)cc1 ZINC000102975943 555186214 /nfs/dbraw/zinc/18/62/14/555186214.db2.gz HVSKDEKZBMQMBF-NDEPHWFRSA-N 0 0 549.693 3.948 50 0 KHAARN CN(c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000102976352 555186208 /nfs/dbraw/zinc/18/62/08/555186208.db2.gz OJAMGTOHMOXSSV-UHFFFAOYSA-N 0 0 564.085 3.967 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)cc2)cc1 ZINC000102980002 555187422 /nfs/dbraw/zinc/18/74/22/555187422.db2.gz LCTWTLMDKQSJPJ-UHFFFAOYSA-N 0 0 599.687 3.999 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc2c1CC[C@@H](C)C2 ZINC000102986479 555191126 /nfs/dbraw/zinc/19/11/26/555191126.db2.gz SPXXNKNCUXCSJT-YLJYHZDGSA-N 0 0 547.743 4.000 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc2c1CC[C@@H](C)C2 ZINC000102986481 555191146 /nfs/dbraw/zinc/19/11/46/555191146.db2.gz SPXXNKNCUXCSJT-XLIONFOSSA-N 0 0 547.743 4.000 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc2c1CC[C@H](C)C2 ZINC000102986482 555191158 /nfs/dbraw/zinc/19/11/58/555191158.db2.gz SPXXNKNCUXCSJT-FXAWDEMLSA-N 0 0 547.743 4.000 50 0 KHAARN CCOC(=O)c1c(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)sc2c1CC[C@H](C)C2 ZINC000102986486 555191131 /nfs/dbraw/zinc/19/11/31/555191131.db2.gz SPXXNKNCUXCSJT-PXNSSMCTSA-N 0 0 547.743 4.000 50 0 KHAARN COCCN(C(=O)CSc1ncnc2scc(-c3ccccc3)c21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102987744 555191324 /nfs/dbraw/zinc/19/13/24/555191324.db2.gz GQXHQBUUXFTSDT-UHFFFAOYSA-N 0 0 574.688 3.611 50 0 KHAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000102988005 555191420 /nfs/dbraw/zinc/19/14/20/555191420.db2.gz RFYKIRVGMZRREL-KRWDZBQOSA-N 0 0 591.709 3.503 50 0 KHAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000102988007 555191380 /nfs/dbraw/zinc/19/13/80/555191380.db2.gz RFYKIRVGMZRREL-QGZVFWFLSA-N 0 0 591.709 3.503 50 0 KHAARN Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000102988815 555191841 /nfs/dbraw/zinc/19/18/41/555191841.db2.gz NWSAPOVDIHNPRA-CIXDGQAGSA-N 0 0 612.635 3.976 50 0 biogenic KHAARN Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000102988816 555191826 /nfs/dbraw/zinc/19/18/26/555191826.db2.gz NWSAPOVDIHNPRA-XPMOVWHWSA-N 0 0 612.635 3.976 50 0 biogenic KHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC ZINC000102989042 555191922 /nfs/dbraw/zinc/19/19/22/555191922.db2.gz UXTPDFFFWCSLOU-UHFFFAOYSA-N 0 0 536.603 3.537 50 0 KHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000102990334 555192040 /nfs/dbraw/zinc/19/20/40/555192040.db2.gz DLUXHFOSPKBYMY-PWHYTNLZSA-N 0 0 617.790 3.852 50 0 KHAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000102990336 555192030 /nfs/dbraw/zinc/19/20/30/555192030.db2.gz DLUXHFOSPKBYMY-ODAWRTACSA-N 0 0 617.790 3.852 50 0 KHAARN O=C(CCC(=O)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000102990445 555192261 /nfs/dbraw/zinc/19/22/61/555192261.db2.gz NEZVCUJSPOVBAU-UHFFFAOYSA-N 0 0 538.652 3.979 50 0 KHAARN COc1cc(CN(C)Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)oc2=S)ccc1OC(F)F ZINC000102990923 555192306 /nfs/dbraw/zinc/19/23/06/555192306.db2.gz JNHIUGMHEBIIJM-UHFFFAOYSA-N 0 0 556.613 3.593 50 0 KHAARN COc1ccc(Br)cc1CN(C)Cn1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)oc1=S ZINC000102990935 555192330 /nfs/dbraw/zinc/19/23/30/555192330.db2.gz FQXLCCRWZNUUIG-UHFFFAOYSA-N 0 0 569.503 3.754 50 0 KHAARN CC1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n(Cc3ccc(F)cc3)c2=S)CC1 ZINC000102991667 555192682 /nfs/dbraw/zinc/19/26/82/555192682.db2.gz QMJLGDIHDRWUQG-UHFFFAOYSA-N 0 0 545.706 3.979 50 0 KHAARN O=S(=O)(c1cccc(-c2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2Cc2ccccc2)c1)N1CCOCC1 ZINC000102991945 555192678 /nfs/dbraw/zinc/19/26/78/555192678.db2.gz RTNCNKYEOBPSNH-UHFFFAOYSA-N 0 0 590.775 3.930 50 0 KHAARN C[C@@H](c1ccccc1)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2C[C@@H](C)O[C@@H](C)C2)c1=S ZINC000102992154 555192988 /nfs/dbraw/zinc/19/29/88/555192988.db2.gz YTVMVAKZOSDDHM-BDTNDASRSA-N 0 0 557.742 3.778 50 0 KHAARN C[C@@H](c1ccccc1)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2C[C@@H](C)O[C@H](C)C2)c1=S ZINC000102992165 555193006 /nfs/dbraw/zinc/19/30/06/555193006.db2.gz YTVMVAKZOSDDHM-VSKRKVRLSA-N 0 0 557.742 3.778 50 0 KHAARN O=S(=O)(c1cccc(-c2nn(CN3CCCCC3)c(=S)n2Cc2ccc(F)cc2)c1)N1CCOCC1 ZINC000102992224 555192921 /nfs/dbraw/zinc/19/29/21/555192921.db2.gz SXAQFWHBHIBBLW-UHFFFAOYSA-N 0 0 531.679 3.733 50 0 KHAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 ZINC000102992683 555193156 /nfs/dbraw/zinc/19/31/56/555193156.db2.gz HDLZISYUFUKIGX-UHFFFAOYSA-N 0 0 535.597 3.828 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccco3)ccc2C)cc1Br ZINC000102994086 555194046 /nfs/dbraw/zinc/19/40/46/555194046.db2.gz HPKWVOOCGYWMQM-UHFFFAOYSA-N 0 0 536.404 3.919 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102994331 555194561 /nfs/dbraw/zinc/19/45/61/555194561.db2.gz KSPATVUYDCLZAR-UHFFFAOYSA-N 0 0 594.111 3.742 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000102994394 555194517 /nfs/dbraw/zinc/19/45/17/555194517.db2.gz LJUZYOFLEKRCQK-ZDUSSCGKSA-N 0 0 522.377 3.609 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000102994396 555194744 /nfs/dbraw/zinc/19/47/44/555194744.db2.gz LJUZYOFLEKRCQK-CYBMUJFWSA-N 0 0 522.377 3.609 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2)cc1 ZINC000102994410 555194674 /nfs/dbraw/zinc/19/46/74/555194674.db2.gz CUPKVDLQXDDJJK-UHFFFAOYSA-N 0 0 573.693 3.852 50 0 KHAARN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102994431 555194733 /nfs/dbraw/zinc/19/47/33/555194733.db2.gz SKRYWIJVJDAEEM-UHFFFAOYSA-N 0 0 594.111 3.742 50 0 KHAARN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)c2)cc1 ZINC000102994516 555194748 /nfs/dbraw/zinc/19/47/48/555194748.db2.gz LQLRNRKPVMQKCK-UHFFFAOYSA-N 0 0 542.639 3.609 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1 ZINC000102994875 555195017 /nfs/dbraw/zinc/19/50/17/555195017.db2.gz BCADEZSZECPZEG-UHFFFAOYSA-N 0 0 547.655 3.787 50 0 KHAARN Cc1c(NS(=O)(=O)c2cccc(NC(=O)c3cncc(Br)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000102995038 555195007 /nfs/dbraw/zinc/19/50/07/555195007.db2.gz RJVNMZLLIVLVDO-UHFFFAOYSA-N 0 0 542.415 3.695 50 0 KHAARN Cc1c(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000102995574 555195165 /nfs/dbraw/zinc/19/51/65/555195165.db2.gz IMDCACSKBGDFJI-UHFFFAOYSA-N 0 0 559.692 3.864 50 0 KHAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000102996466 555196007 /nfs/dbraw/zinc/19/60/07/555196007.db2.gz GSIWJYKLRRKLLA-UHFFFAOYSA-N 0 0 550.058 3.722 50 0 KHAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000102996530 555196252 /nfs/dbraw/zinc/19/62/52/555196252.db2.gz YYYTWPWSPBQTSU-UHFFFAOYSA-N 0 0 594.509 3.832 50 0 KHAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000102996558 555196278 /nfs/dbraw/zinc/19/62/78/555196278.db2.gz FTJTWEDRKQSTNP-UHFFFAOYSA-N 0 0 550.058 3.722 50 0 KHAARN O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl ZINC000102996569 555196233 /nfs/dbraw/zinc/19/62/33/555196233.db2.gz HOQSJKHGHPFVMU-UHFFFAOYSA-N 0 0 576.853 3.959 50 0 KHAARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)cc1C ZINC000102996643 555196559 /nfs/dbraw/zinc/19/65/59/555196559.db2.gz NHOMQJWZGWUEKZ-UHFFFAOYSA-N 0 0 543.667 3.686 50 0 KHAARN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000102996653 555196533 /nfs/dbraw/zinc/19/65/33/555196533.db2.gz VTYCJTSVHWTMRA-AWEZNQCLSA-N 0 0 545.536 3.951 50 0 KHAARN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000102996655 555196550 /nfs/dbraw/zinc/19/65/50/555196550.db2.gz VTYCJTSVHWTMRA-CQSZACIVSA-N 0 0 545.536 3.951 50 0 KHAARN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1S(=O)(=O)NCc1ccccn1 ZINC000102996668 555196544 /nfs/dbraw/zinc/19/65/44/555196544.db2.gz VHSOKAFDRHSLBH-UHFFFAOYSA-N 0 0 570.624 3.761 50 0 KHAARN COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1 ZINC000102996716 555196514 /nfs/dbraw/zinc/19/65/14/555196514.db2.gz BROLAOZUQKIITO-UHFFFAOYSA-N 0 0 557.625 3.611 50 0 KHAARN O=C(c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl)N1CCN(c2ncccn2)CC1 ZINC000102996753 555196498 /nfs/dbraw/zinc/19/64/98/555196498.db2.gz KRHRKSOGBMFJCJ-UHFFFAOYSA-N 0 0 541.939 3.792 50 0 KHAARN O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102997468 555197033 /nfs/dbraw/zinc/19/70/33/555197033.db2.gz LZVANXRAPZZIQB-UHFFFAOYSA-N 0 0 558.454 3.937 50 0 KHAARN O=C(c1ccco1)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)CC1 ZINC000102998084 555197477 /nfs/dbraw/zinc/19/74/77/555197477.db2.gz WKYTVNPMLOFICQ-UHFFFAOYSA-N 0 0 521.567 3.993 50 0 KHAARN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000102999030 555198463 /nfs/dbraw/zinc/19/84/63/555198463.db2.gz BZQIQVHBQUDNGO-UHFFFAOYSA-N 0 0 521.323 3.816 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(Cc4cc(OC)ccc4OC)CC3)cc2)cc1 ZINC000103000155 555200023 /nfs/dbraw/zinc/20/00/23/555200023.db2.gz OBUFRXLFYBSQOL-UHFFFAOYSA-N 0 0 539.654 3.861 50 0 KHAARN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(OCC)cc3)cc2)cc1 ZINC000103000424 555199996 /nfs/dbraw/zinc/19/99/96/555199996.db2.gz YMVLEDAADSXXHS-UHFFFAOYSA-N 0 0 547.655 3.592 50 0 KHAARN O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000103000488 555200191 /nfs/dbraw/zinc/20/01/91/555200191.db2.gz XOLXXZWAOXYZKM-UHFFFAOYSA-N 0 0 529.571 3.950 50 0 KHAARN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)c(C)c1 ZINC000103000492 555200197 /nfs/dbraw/zinc/20/01/97/555200197.db2.gz NYOYMFTVENDNPT-UHFFFAOYSA-N 0 0 545.683 3.723 50 0 KHAARN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 ZINC000103000497 555200207 /nfs/dbraw/zinc/20/02/07/555200207.db2.gz MPQCZZQHQKMRIR-UHFFFAOYSA-N 0 0 531.656 3.964 50 0 KHAARN O=C(CNS(=O)(=O)c1ccccc1F)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000103000526 555200232 /nfs/dbraw/zinc/20/02/32/555200232.db2.gz PSZZVEZBIQCXIF-UHFFFAOYSA-N 0 0 531.509 3.562 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000103000569 1066291500 /nfs/dbraw/zinc/29/15/00/1066291500.db2.gz CVCLYYCVSORXCT-RAXLEYEMSA-N 0 0 562.069 3.814 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000103000631 555200542 /nfs/dbraw/zinc/20/05/42/555200542.db2.gz GHJQTQGMJBEYIP-UHFFFAOYSA-N 0 0 550.058 3.722 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000103000970 555200965 /nfs/dbraw/zinc/20/09/65/555200965.db2.gz ULKVSVSNLGYFFD-UHFFFAOYSA-N 0 0 599.609 3.788 50 0 KHAARN COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1OC ZINC000103001717 555201699 /nfs/dbraw/zinc/20/16/99/555201699.db2.gz FLTKQPXNRKUERY-UHFFFAOYSA-N 0 0 528.583 3.557 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000103002301 555201901 /nfs/dbraw/zinc/20/19/01/555201901.db2.gz XCLKQKCAFTZZOJ-OAQYLSRUSA-N 0 0 537.667 3.660 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000103002303 555201954 /nfs/dbraw/zinc/20/19/54/555201954.db2.gz XCLKQKCAFTZZOJ-NRFANRHFSA-N 0 0 537.667 3.660 50 0 KHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000103003225 555202161 /nfs/dbraw/zinc/20/21/61/555202161.db2.gz HRYJHKXRDWAYRA-HNNXBMFYSA-N 0 0 529.364 3.638 50 0 KHAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000103003228 555202167 /nfs/dbraw/zinc/20/21/67/555202167.db2.gz HRYJHKXRDWAYRA-OAHLLOKOSA-N 0 0 529.364 3.638 50 0 KHAARN COC(=O)c1cc(OC)c(OC)cc1NC=C1c2ccccc2C(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000103004101 555202338 /nfs/dbraw/zinc/20/23/38/555202338.db2.gz PCVBUOKMYSPPJM-DEDYPNTBSA-N 0 0 516.506 3.855 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\Nn3cnc4sc5c(c4c3=O)CCC5)C2=O)cc1 ZINC000103004117 1066293305 /nfs/dbraw/zinc/29/33/05/1066293305.db2.gz GFHPPFSBKSYTJT-KGENOOAVSA-N 0 0 526.574 3.895 50 0 KHAARN COc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000103004126 1066293278 /nfs/dbraw/zinc/29/32/78/1066293278.db2.gz CODNFPFHZDEDBC-BWAHOGKJSA-N 0 0 547.633 3.973 50 0 KHAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)NC4=NCCC4)c3)C2=O)cc1 ZINC000103004233 555202560 /nfs/dbraw/zinc/20/25/60/555202560.db2.gz BTIKOGHNYLPVCP-UQQQWYQISA-N 0 0 530.606 3.801 50 0 KHAARN CCc1nnc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)N(CC)CC)c3)C2=O)s1 ZINC000103004363 555202572 /nfs/dbraw/zinc/20/25/72/555202572.db2.gz NTNWEICPRHCICJ-HKWRFOASSA-N 0 0 511.629 3.771 50 0 KHAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3ccc(C)c(S(=O)(=O)N(C)C)c3)C2=O)cc1 ZINC000103004452 555202579 /nfs/dbraw/zinc/20/25/79/555202579.db2.gz OFVQRUFXJHIJSV-JLPGSUDCSA-N 0 0 505.596 3.890 50 0 KHAARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cc(S(=O)(=O)N(C)C)ccc3C)C2=O)cc1 ZINC000103004462 555202591 /nfs/dbraw/zinc/20/25/91/555202591.db2.gz GFPYXRNSAYPKRE-JLPGSUDCSA-N 0 0 505.596 3.890 50 0 KHAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@@H]1n1ccc(=O)[nH]c1=S ZINC000103004590 555202873 /nfs/dbraw/zinc/20/28/73/555202873.db2.gz PMFZESFCGSFNDS-RBVMOCNTSA-N 0 0 538.578 3.847 50 0 KHAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1ccc(=O)[nH]c1=S ZINC000103004594 555202855 /nfs/dbraw/zinc/20/28/55/555202855.db2.gz PMFZESFCGSFNDS-MZURWIMNSA-N 0 0 538.578 3.847 50 0 KHAARN CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1ccc(=O)[nH]c1=S ZINC000103004598 555202864 /nfs/dbraw/zinc/20/28/64/555202864.db2.gz PMFZESFCGSFNDS-MSNJVRRCSA-N 0 0 538.578 3.847 50 0 KHAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1OC ZINC000103004613 555202816 /nfs/dbraw/zinc/20/28/16/555202816.db2.gz ZNBQTCBYZDXMOY-CJLVFECKSA-N 0 0 507.568 3.594 50 0 KHAARN O=C1c2ccccc2C(=CNc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C(=O)N1Cc1ccccc1 ZINC000103004714 1066293625 /nfs/dbraw/zinc/29/36/25/1066293625.db2.gz TVMHNFIAADKPDL-QJOMJCCJSA-N 0 0 538.025 3.997 50 0 KHAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1C ZINC000103004912 555202941 /nfs/dbraw/zinc/20/29/41/555202941.db2.gz DCTQQGGPSSNDLF-NLRVBDNBSA-N 0 0 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3.910 50 0 KHAARN COC(=O)c1sc(NC(=O)COC(=O)c2cccc(NS(=O)(=O)/C=C\c3ccccc3)c2)c(C(=O)OC)c1C ZINC000103054898 1066535152 /nfs/dbraw/zinc/53/51/52/1066535152.db2.gz SVAHBKCGARTPOD-SEYXRHQNSA-N 0 0 572.617 3.838 50 0 KHAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2Cl)n1 ZINC000103054907 555236508 /nfs/dbraw/zinc/23/65/08/555236508.db2.gz QTAHZZIAZYSFLO-UHFFFAOYSA-N 0 0 547.439 3.975 50 0 KHAARN CCOC(=O)c1sc2nc(C)nc(SCC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c2c1C ZINC000103055084 555236803 /nfs/dbraw/zinc/23/68/03/555236803.db2.gz FCOFYPMKNSBXLJ-UHFFFAOYSA-N 0 0 585.129 3.890 50 0 KHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103055147 555236780 /nfs/dbraw/zinc/23/67/80/555236780.db2.gz VFRRNDBMPJIRTG-SFHVURJKSA-N 0 0 531.034 3.862 50 0 KHAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103055150 555236776 /nfs/dbraw/zinc/23/67/76/555236776.db2.gz VFRRNDBMPJIRTG-GOSISDBHSA-N 0 0 531.034 3.862 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1OC ZINC000103055164 555236790 /nfs/dbraw/zinc/23/67/90/555236790.db2.gz XXVNHYSNIMWHTE-UHFFFAOYSA-N 0 0 578.573 3.608 50 0 KHAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1OC ZINC000103055248 555236726 /nfs/dbraw/zinc/23/67/26/555236726.db2.gz DGDIXEQTBSZVMW-UHFFFAOYSA-N 0 0 578.573 3.608 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1OC ZINC000103055472 555236988 /nfs/dbraw/zinc/23/69/88/555236988.db2.gz ZXMMFRKISZSNPJ-UHFFFAOYSA-N 0 0 563.695 3.960 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)CCc2ccccc2)cc1OC ZINC000103055478 555236957 /nfs/dbraw/zinc/23/69/57/555236957.db2.gz RRUXEMDRSMMIIH-UHFFFAOYSA-N 0 0 577.722 3.970 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C)cc2)cc1OC ZINC000103055497 555237037 /nfs/dbraw/zinc/23/70/37/555237037.db2.gz ZUIDXEAWENMVLM-UHFFFAOYSA-N 0 0 563.695 3.960 50 0 KHAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103055609 555236965 /nfs/dbraw/zinc/23/69/65/555236965.db2.gz KGZPLPZSUXWROC-UHFFFAOYSA-N 0 0 526.065 3.687 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)cc1OC ZINC000103055645 555237210 /nfs/dbraw/zinc/23/72/10/555237210.db2.gz UULBGAQCPLAPON-UHFFFAOYSA-N 0 0 567.658 3.790 50 0 KHAARN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1OC ZINC000103055675 555237187 /nfs/dbraw/zinc/23/71/87/555237187.db2.gz ZXIGEWZTBAICPS-UHFFFAOYSA-N 0 0 555.697 3.713 50 0 KHAARN C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)n(-c4ccc(Cl)cc4)c(=O)c32)C1 ZINC000103055681 555237194 /nfs/dbraw/zinc/23/71/94/555237194.db2.gz NVIOSSJMDBFJCO-YOEHRIQHSA-N 0 0 552.143 3.963 50 0 KHAARN COc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)c(OC)c1 ZINC000103055824 555237141 /nfs/dbraw/zinc/23/71/41/555237141.db2.gz KZZVOQIYGZTZKU-UHFFFAOYSA-N 0 0 549.668 3.999 50 0 KHAARN O=C(NCCN1CCOCC1)c1cccc(Nc2c(Oc3ccc4c(c3)OCO4)cnn(-c3ccccc3)c2=O)c1 ZINC000103056125 555237418 /nfs/dbraw/zinc/23/74/18/555237418.db2.gz RZEWVWUADJLPNY-UHFFFAOYSA-N 0 0 555.591 3.559 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)n2CC ZINC000103056217 555237715 /nfs/dbraw/zinc/23/77/15/555237715.db2.gz HUTNHZCWVYZXPQ-UHFFFAOYSA-N 0 0 588.177 3.721 50 0 KHAARN CCCOc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1OCCC ZINC000103056234 555237663 /nfs/dbraw/zinc/23/76/63/555237663.db2.gz WCRRMMMTJYGVET-UHFFFAOYSA-N 0 0 554.621 3.938 50 0 KHAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[C@H](C)C3)[C@H]1CCS(=O)(=O)C1 ZINC000103056346 555237667 /nfs/dbraw/zinc/23/76/67/555237667.db2.gz BQJKAGCDBFSVCP-ICSRJNTNSA-N 0 0 559.779 3.953 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)cc4F)CC3)c2)cc1OC ZINC000103057143 555238221 /nfs/dbraw/zinc/23/82/21/555238221.db2.gz SJRCBJLCEKIKTD-UHFFFAOYSA-N 0 0 589.661 3.816 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN2CC3=C(C2=O)[C@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3CC)CC1 ZINC000103057536 555238317 /nfs/dbraw/zinc/23/83/17/555238317.db2.gz SJHUXIOBMAKFJH-NDEPHWFRSA-N 0 0 560.651 3.853 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CCN2CC3=C(C2=O)[C@@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3CC)CC1 ZINC000103057538 555238442 /nfs/dbraw/zinc/23/84/42/555238442.db2.gz SJHUXIOBMAKFJH-MUUNZHRXSA-N 0 0 560.651 3.853 50 0 KHAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)Nc1c(Cl)cccc1Cl ZINC000103057662 555238621 /nfs/dbraw/zinc/23/86/21/555238621.db2.gz VWHMMPNHWCJHPP-UHFFFAOYSA-N 0 0 556.468 3.800 50 0 KHAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103057949 555238834 /nfs/dbraw/zinc/23/88/34/555238834.db2.gz GVYIMDTYLCEVMI-UHFFFAOYSA-N 0 0 572.894 3.639 50 0 KHAARN O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccccc1F)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000103058055 555238847 /nfs/dbraw/zinc/23/88/47/555238847.db2.gz OOEMPSUIPBVKES-QHCPKHFHSA-N 0 0 535.595 3.782 50 0 KHAARN O=C(CN(C[C@H]1CCCO1)C(=O)c1ccccc1F)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000103058058 555238828 /nfs/dbraw/zinc/23/88/28/555238828.db2.gz OOEMPSUIPBVKES-HSZRJFAPSA-N 0 0 535.595 3.782 50 0 KHAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000103058187 555238858 /nfs/dbraw/zinc/23/88/58/555238858.db2.gz CVVCNXSRXGJSGV-UHFFFAOYSA-N 0 0 579.657 3.863 50 0 KHAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(Cc4ccc(C)cc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058251 555239162 /nfs/dbraw/zinc/23/91/62/555239162.db2.gz CRNYNMDKGZBJAL-SANMLTNESA-N 0 0 556.494 3.829 50 0 KHAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(Cc4ccc(C)cc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058255 555239102 /nfs/dbraw/zinc/23/91/02/555239102.db2.gz CRNYNMDKGZBJAL-AREMUKBSSA-N 0 0 556.494 3.829 50 0 KHAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(CCc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058274 555239150 /nfs/dbraw/zinc/23/91/50/555239150.db2.gz NXJVEYHQOWEJRR-SANMLTNESA-N 0 0 556.494 3.563 50 0 KHAARN CCN1C2=C(C(=O)N(CC(=O)N3CCN(CCc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058276 555239136 /nfs/dbraw/zinc/23/91/36/555239136.db2.gz NXJVEYHQOWEJRR-AREMUKBSSA-N 0 0 556.494 3.563 50 0 KHAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1=O ZINC000103058489 555239300 /nfs/dbraw/zinc/23/93/00/555239300.db2.gz REGPSVXAQBCIFT-MHZLTWQESA-N 0 0 578.507 3.608 50 0 KHAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)C1=O ZINC000103058492 555239340 /nfs/dbraw/zinc/23/93/40/555239340.db2.gz REGPSVXAQBCIFT-HHHXNRCGSA-N 0 0 578.507 3.608 50 0 KHAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)CC1 ZINC000103058810 555239380 /nfs/dbraw/zinc/23/93/80/555239380.db2.gz IYYFKIVPUARBDO-SANMLTNESA-N 0 0 572.493 3.923 50 0 KHAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N3CC)CC1 ZINC000103058812 555239293 /nfs/dbraw/zinc/23/92/93/555239293.db2.gz IYYFKIVPUARBDO-AREMUKBSSA-N 0 0 572.493 3.923 50 0 KHAARN Cc1cc(NC(=O)COC(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C)nn3-c3ccccc3)n2)n(-c2ccccc2)n1 ZINC000103059152 555239666 /nfs/dbraw/zinc/23/96/66/555239666.db2.gz ZXHSKHHEARDOHD-UHFFFAOYSA-N 0 0 593.600 3.661 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103059201 555239650 /nfs/dbraw/zinc/23/96/50/555239650.db2.gz XWRZXYCJQBUVMU-QGZVFWFLSA-N 0 0 564.948 3.530 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103059205 555239673 /nfs/dbraw/zinc/23/96/73/555239673.db2.gz XWRZXYCJQBUVMU-KRWDZBQOSA-N 0 0 564.948 3.530 50 0 KHAARN O=c1cc(CN2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)CC2)occ1OCc1ccccc1Cl ZINC000103060039 555240841 /nfs/dbraw/zinc/24/08/41/555240841.db2.gz MMWKSOJQTARVOJ-UHFFFAOYSA-N 0 0 528.936 3.796 50 0 KHAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc(OC)c1OC ZINC000103060046 555240835 /nfs/dbraw/zinc/24/08/35/555240835.db2.gz WBTRGYDHUIVEQZ-OAHLLOKOSA-N 0 0 560.456 3.756 50 0 KHAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc(OC)c1OC ZINC000103060048 555240859 /nfs/dbraw/zinc/24/08/59/555240859.db2.gz WBTRGYDHUIVEQZ-HNNXBMFYSA-N 0 0 560.456 3.756 50 0 KHAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc(OC)c1OC ZINC000103060054 555240892 /nfs/dbraw/zinc/24/08/92/555240892.db2.gz KKAIRYHLMQIALZ-MRXNPFEDSA-N 0 0 560.456 3.756 50 0 KHAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc(OC)c1OC ZINC000103060057 555240855 /nfs/dbraw/zinc/24/08/55/555240855.db2.gz KKAIRYHLMQIALZ-INIZCTEOSA-N 0 0 560.456 3.756 50 0 KHAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000103060098 555240851 /nfs/dbraw/zinc/24/08/51/555240851.db2.gz TXJWQUQQBQLCST-KRWDZBQOSA-N 0 0 536.672 3.796 50 0 KHAARN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000103060100 555240829 /nfs/dbraw/zinc/24/08/29/555240829.db2.gz TXJWQUQQBQLCST-QGZVFWFLSA-N 0 0 536.672 3.796 50 0 KHAARN 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COc1ccc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 ZINC000103074154 555253683 /nfs/dbraw/zinc/25/36/83/555253683.db2.gz OUGWLQUGNMKNKY-UHFFFAOYSA-N 0 0 541.582 3.642 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)Cc4cccs4)CC3)c2)cc1OC ZINC000103074162 555253698 /nfs/dbraw/zinc/25/36/98/555253698.db2.gz JRNVIPDEBWKISJ-UHFFFAOYSA-N 0 0 573.737 3.528 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000103074172 555253691 /nfs/dbraw/zinc/25/36/91/555253691.db2.gz QNVGSFFDLFIPOW-UHFFFAOYSA-N 0 0 587.645 3.700 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000103074183 555253787 /nfs/dbraw/zinc/25/37/87/555253787.db2.gz JRQWKOCCQHQZSH-UHFFFAOYSA-N 0 0 536.503 3.543 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000103074203 555253800 /nfs/dbraw/zinc/25/38/00/555253800.db2.gz PSZNCPQHTUDHKC-UHFFFAOYSA-N 0 0 580.103 3.746 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)ccc4F)CC3)c2)cc1OC ZINC000103074210 555253695 /nfs/dbraw/zinc/25/36/95/555253695.db2.gz SRHOUCWFOWNPEA-UHFFFAOYSA-N 0 0 589.661 3.816 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000103074580 555254291 /nfs/dbraw/zinc/25/42/91/555254291.db2.gz ZKJULNDVUWNMGW-QHCPKHFHSA-N 0 0 556.660 3.855 50 0 KHAARN COCCN(CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1)C(=O)NC(C)(C)C ZINC000103074583 555254295 /nfs/dbraw/zinc/25/42/95/555254295.db2.gz ZKJULNDVUWNMGW-HSZRJFAPSA-N 0 0 556.660 3.855 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000103074744 555254530 /nfs/dbraw/zinc/25/45/30/555254530.db2.gz CGGISLRLVAFAKY-SANMLTNESA-N 0 0 611.740 3.541 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000103074746 555254523 /nfs/dbraw/zinc/25/45/23/555254523.db2.gz CGGISLRLVAFAKY-AREMUKBSSA-N 0 0 611.740 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COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)COc4cccc(Cl)c4)CC3)c2)cc1 ZINC000103075645 555255192 /nfs/dbraw/zinc/25/51/92/555255192.db2.gz MWFHDVHGZAUUDP-UHFFFAOYSA-N 0 0 560.072 3.910 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@@H](OC(C)=O)c4ccccc4)CC3)c2)cc1OC ZINC000103075881 555255409 /nfs/dbraw/zinc/25/54/09/555255409.db2.gz VDNPIHAWWNLGEH-HKBQPEDESA-N 0 0 625.744 3.529 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](OC(C)=O)c4ccccc4)CC3)c2)cc1OC ZINC000103075883 555255403 /nfs/dbraw/zinc/25/54/03/555255403.db2.gz VDNPIHAWWNLGEH-WJOKGBTCSA-N 0 0 625.744 3.529 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccccc4OC(C)=O)CC3)cc2)n(-c2ccccn2)n1 ZINC000103075933 555255341 /nfs/dbraw/zinc/25/53/41/555255341.db2.gz ZKDJBTIOZSCQHA-UHFFFAOYSA-N 0 0 539.592 3.999 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)c2cc(C)on2)CC1 ZINC000103076170 555255623 /nfs/dbraw/zinc/25/56/23/555255623.db2.gz ROIJJVMWWBKIQK-UHFFFAOYSA-N 0 0 538.670 3.597 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)c2)cc1OC ZINC000103076653 555255641 /nfs/dbraw/zinc/25/56/41/555255641.db2.gz UAIKPPXOEPPCHS-UHFFFAOYSA-N 0 0 617.790 3.703 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2)cc1OC ZINC000103076733 555255870 /nfs/dbraw/zinc/25/58/70/555255870.db2.gz POUZDZUFIBQROA-UHFFFAOYSA-N 0 0 624.181 3.740 50 0 KHAARN CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000103078357 555256979 /nfs/dbraw/zinc/25/69/79/555256979.db2.gz FDAWJRUSWCFBHR-QFIPXVFZSA-N 0 0 547.530 3.735 50 0 KHAARN CC(C)C[C@H](C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000103078360 555256969 /nfs/dbraw/zinc/25/69/69/555256969.db2.gz FDAWJRUSWCFBHR-JOCHJYFZSA-N 0 0 547.530 3.735 50 0 KHAARN CCc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000103078534 555257242 /nfs/dbraw/zinc/25/72/42/555257242.db2.gz SXJFEIJBFGHFEV-UHFFFAOYSA-N 0 0 533.581 3.529 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000103078950 555257643 /nfs/dbraw/zinc/25/76/43/555257643.db2.gz HFLUXNLGUZGWHG-MHZLTWQESA-N 0 0 581.714 3.532 50 0 KHAARN CCOC(=O)N1CCN(C(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)N2c2cccc(C)c2)CC1 ZINC000103078955 1066535850 /nfs/dbraw/zinc/53/58/50/1066535850.db2.gz OEGUWOCANXBYKA-DARPEHSRSA-N 0 0 504.616 3.794 50 0 KHAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cc1 ZINC000103078956 555257674 /nfs/dbraw/zinc/25/76/74/555257674.db2.gz HFLUXNLGUZGWHG-HHHXNRCGSA-N 0 0 581.714 3.532 50 0 KHAARN Cc1cccc(N2C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)=NN/C2=C2\C=Nc3ccccc32)c1 ZINC000103078968 555257670 /nfs/dbraw/zinc/25/76/70/555257670.db2.gz VRAQTOINDPPMPJ-FLFQWRMESA-N 0 0 518.624 3.780 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000103079032 555257638 /nfs/dbraw/zinc/25/76/38/555257638.db2.gz BIMWKPFWDJGZAN-MHZLTWQESA-N 0 0 551.688 3.524 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000103079036 555257629 /nfs/dbraw/zinc/25/76/29/555257629.db2.gz BIMWKPFWDJGZAN-HHHXNRCGSA-N 0 0 551.688 3.524 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccnc3)n2N)c1 ZINC000103079041 555257684 /nfs/dbraw/zinc/25/76/84/555257684.db2.gz MVZIYETVGMKBDI-UHFFFAOYSA-N 0 0 544.062 3.653 50 0 KHAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000103079102 555257936 /nfs/dbraw/zinc/25/79/36/555257936.db2.gz YPMCGDKTQYJDRW-UHFFFAOYSA-N 0 0 538.651 3.786 50 0 KHAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)[C@@H]1CCS(=O)(=O)C1 ZINC000103079284 555257905 /nfs/dbraw/zinc/25/79/05/555257905.db2.gz YDJNEXLWZHKCGU-GOSISDBHSA-N 0 0 531.725 3.762 50 0 KHAARN CCN(C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)[C@H]1CCS(=O)(=O)C1 ZINC000103079285 555257923 /nfs/dbraw/zinc/25/79/23/555257923.db2.gz YDJNEXLWZHKCGU-SFHVURJKSA-N 0 0 531.725 3.762 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000103079343 555258078 /nfs/dbraw/zinc/25/80/78/555258078.db2.gz NMMXKECEENYJDQ-INIZCTEOSA-N 0 0 541.482 3.987 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000103079836 555258330 /nfs/dbraw/zinc/25/83/30/555258330.db2.gz RRRNBICCCUYZDH-QRRJMBGHSA-N 0 0 548.617 3.643 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000103079841 555258345 /nfs/dbraw/zinc/25/83/45/555258345.db2.gz RRRNBICCCUYZDH-DTBYZMGXSA-N 0 0 548.617 3.643 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1cccc(Cl)c1 ZINC000103079971 555258588 /nfs/dbraw/zinc/25/85/88/555258588.db2.gz IPNRUIVQSDPLTB-UHFFFAOYSA-N 0 0 531.993 3.786 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)NCCc1ccc(Cl)cc1 ZINC000103080018 555258633 /nfs/dbraw/zinc/25/86/33/555258633.db2.gz MQPPITLRAIAWRI-UHFFFAOYSA-N 0 0 560.047 3.506 50 0 KHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccccc1F ZINC000103080033 555258605 /nfs/dbraw/zinc/25/86/05/555258605.db2.gz HNYCVBYPEOBKFD-UHFFFAOYSA-N 0 0 549.983 3.925 50 0 KHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccc(F)cc1 ZINC000103080057 555258813 /nfs/dbraw/zinc/25/88/13/555258813.db2.gz MRPBNMLJGSVPPC-UHFFFAOYSA-N 0 0 549.983 3.925 50 0 KHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1ccc2c(c1)OCO2 ZINC000103080065 555258862 /nfs/dbraw/zinc/25/88/62/555258862.db2.gz VDYKZFAQWCDKEP-UHFFFAOYSA-N 0 0 576.002 3.514 50 0 KHAARN CN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1 ZINC000103080086 555258866 /nfs/dbraw/zinc/25/88/66/555258866.db2.gz NAKWTDMMJKGOHA-UHFFFAOYSA-N 0 0 546.020 3.810 50 0 KHAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)NCc1cccs1 ZINC000103080090 555258904 /nfs/dbraw/zinc/25/89/04/555258904.db2.gz CHTSIKYXVAJNKK-UHFFFAOYSA-N 0 0 552.049 3.525 50 0 KHAARN CCOc1ccc(N2C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)=NN/C2=C2\C=Nc3ccccc32)cc1 ZINC000103080759 555259443 /nfs/dbraw/zinc/25/94/43/555259443.db2.gz RTCWKOJWKYIWIX-LVWGJNHUSA-N 0 0 548.650 3.870 50 0 KHAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000103081337 1066535778 /nfs/dbraw/zinc/53/57/78/1066535778.db2.gz AYSDBCSTWGMYKJ-SSZFMOIBSA-N 0 0 545.617 3.758 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 ZINC000103081365 1066535740 /nfs/dbraw/zinc/53/57/40/1066535740.db2.gz DEGXOIFJCBOMSR-AUWJEWJLSA-N 0 0 556.543 3.552 50 0 KHAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1C ZINC000103081416 1066535669 /nfs/dbraw/zinc/53/56/69/1066535669.db2.gz VUUOTTDGGDGHCY-KAMYIIQDSA-N 0 0 536.606 3.999 50 0 KHAARN CCCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103081666 555260364 /nfs/dbraw/zinc/26/03/64/555260364.db2.gz MIUCVULHUHESDT-UHFFFAOYSA-N 0 0 551.713 3.990 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103081678 555260560 /nfs/dbraw/zinc/26/05/60/555260560.db2.gz JQRQCNBAKJXSKK-UHFFFAOYSA-N 0 0 537.686 3.600 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)/C(=C\c2ccc4c(c2)OCO4)CC3)cc1 ZINC000103081699 555260631 /nfs/dbraw/zinc/26/06/31/555260631.db2.gz QJOWPKYVSNNAEI-AQTBWJFISA-N 0 0 557.584 3.893 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000103081712 555260562 /nfs/dbraw/zinc/26/05/62/555260562.db2.gz NDCGICCXQCMRGP-UHFFFAOYSA-N 0 0 575.728 3.990 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000103081742 555260546 /nfs/dbraw/zinc/26/05/46/555260546.db2.gz CUMQXQJMLMSOGX-UHFFFAOYSA-N 0 0 586.082 3.659 50 0 KHAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103081745 555260553 /nfs/dbraw/zinc/26/05/53/555260553.db2.gz JDTHXCBQZDZFKF-UHFFFAOYSA-N 0 0 558.104 3.945 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000103081764 555260539 /nfs/dbraw/zinc/26/05/39/555260539.db2.gz FEDJWQXRCFXSIJ-UHFFFAOYSA-N 0 0 575.728 3.791 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000103081769 555260634 /nfs/dbraw/zinc/26/06/34/555260634.db2.gz GSMFDJGQYKIBPH-UHFFFAOYSA-N 0 0 612.543 3.629 50 0 KHAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000103081886 555260910 /nfs/dbraw/zinc/26/09/10/555260910.db2.gz ZBSWAPYZSNFQAF-UHFFFAOYSA-N 0 0 564.129 3.723 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000103081893 555260900 /nfs/dbraw/zinc/26/09/00/555260900.db2.gz NPGZWTPDNFJUNR-UHFFFAOYSA-N 0 0 569.655 3.561 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 ZINC000103081908 555260999 /nfs/dbraw/zinc/26/09/99/555260999.db2.gz CWGUVBCYQJMTEB-UHFFFAOYSA-N 0 0 536.503 3.543 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccccc4F)CC3)c2)cc1OC ZINC000103081925 555261078 /nfs/dbraw/zinc/26/10/78/555261078.db2.gz UHWUBZZKDUDJAV-UHFFFAOYSA-N 0 0 571.671 3.677 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2CC(C)C)cc1 ZINC000103082050 555261331 /nfs/dbraw/zinc/26/13/31/555261331.db2.gz VPRHRFDJJFLBEC-UHFFFAOYSA-N 0 0 559.714 3.670 50 0 KHAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)s1 ZINC000103082139 555261327 /nfs/dbraw/zinc/26/13/27/555261327.db2.gz IFAPYXOUBCMGDU-UHFFFAOYSA-N 0 0 520.445 3.975 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccccc3OC)C2)c1 ZINC000103082516 555261504 /nfs/dbraw/zinc/26/15/04/555261504.db2.gz CSSCCQNDYXVHDR-SANMLTNESA-N 0 0 551.688 3.524 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccccc3OC)C2)c1 ZINC000103082521 555261527 /nfs/dbraw/zinc/26/15/27/555261527.db2.gz CSSCCQNDYXVHDR-AREMUKBSSA-N 0 0 551.688 3.524 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccccc3C)CC2)cc1 ZINC000103082693 555261521 /nfs/dbraw/zinc/26/15/21/555261521.db2.gz FSEBYQMFTKGZCZ-UHFFFAOYSA-N 0 0 548.694 3.571 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CCCC4)cc1 ZINC000103082855 555261717 /nfs/dbraw/zinc/26/17/17/555261717.db2.gz NFFLHCCIKKUQCD-GOSISDBHSA-N 0 0 561.751 3.852 50 0 KHAARN CCOc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CCCC4)cc1 ZINC000103082858 555261698 /nfs/dbraw/zinc/26/16/98/555261698.db2.gz NFFLHCCIKKUQCD-SFHVURJKSA-N 0 0 561.751 3.852 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3Cl)C2)c1 ZINC000103082980 555261709 /nfs/dbraw/zinc/26/17/09/555261709.db2.gz SMPSCVKUIXBSOH-SANMLTNESA-N 0 0 542.080 3.779 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3Cl)C2)c1 ZINC000103082982 555262016 /nfs/dbraw/zinc/26/20/16/555262016.db2.gz SMPSCVKUIXBSOH-AREMUKBSSA-N 0 0 542.080 3.779 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1Cl ZINC000103082995 555262003 /nfs/dbraw/zinc/26/20/03/555262003.db2.gz BEYYXGIJESNIEG-SANMLTNESA-N 0 0 542.080 3.780 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1Cl ZINC000103082997 555262030 /nfs/dbraw/zinc/26/20/30/555262030.db2.gz BEYYXGIJESNIEG-AREMUKBSSA-N 0 0 542.080 3.780 50 0 KHAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000103083042 555262036 /nfs/dbraw/zinc/26/20/36/555262036.db2.gz RVOYWDPZOUWLBV-XSFVSMFZSA-N 0 0 526.615 3.890 50 0 KHAARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000103083046 555262051 /nfs/dbraw/zinc/26/20/51/555262051.db2.gz RVJZASFUIQOBEZ-UHFFFAOYSA-N 0 0 530.672 3.721 50 0 KHAARN CCCCc1ccc(-n2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)cc1 ZINC000103083093 555261973 /nfs/dbraw/zinc/26/19/73/555261973.db2.gz WMILMHLHIKOIBG-UHFFFAOYSA-N 0 0 550.706 3.827 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000103083274 555262120 /nfs/dbraw/zinc/26/21/20/555262120.db2.gz OIBJESGURUBHOT-HGLWPWQMSA-N 0 0 510.637 3.976 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000103083279 555262173 /nfs/dbraw/zinc/26/21/73/555262173.db2.gz OIBJESGURUBHOT-DNKLCNGGSA-N 0 0 510.637 3.976 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000103083431 555262159 /nfs/dbraw/zinc/26/21/59/555262159.db2.gz OFWFWEUHRCMWQM-HGLWPWQMSA-N 0 0 510.637 3.976 50 0 KHAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000103083436 555262410 /nfs/dbraw/zinc/26/24/10/555262410.db2.gz OFWFWEUHRCMWQM-DNKLCNGGSA-N 0 0 510.637 3.976 50 0 KHAARN COCCN(C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000103083913 555262824 /nfs/dbraw/zinc/26/28/24/555262824.db2.gz UJJNJQWAMLVZJZ-UHFFFAOYSA-N 0 0 586.070 3.541 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000103083982 555262806 /nfs/dbraw/zinc/26/28/06/555262806.db2.gz YXBQCMLWMKVLSM-OYQOIYBLSA-N 0 0 534.634 3.923 50 0 KHAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(OC)cc1)CC2)[C@H]1CCS(=O)(=O)C1 ZINC000103083985 555262798 /nfs/dbraw/zinc/26/27/98/555262798.db2.gz YXBQCMLWMKVLSM-LDETYFQJSA-N 0 0 534.634 3.923 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000103084103 555263125 /nfs/dbraw/zinc/26/31/25/555263125.db2.gz SMXSAXMJMKPALO-UHFFFAOYSA-N 0 0 592.411 3.847 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C ZINC000103084245 555263161 /nfs/dbraw/zinc/26/31/61/555263161.db2.gz NCKBGGPERSENIR-UHFFFAOYSA-N 0 0 585.704 3.790 50 0 KHAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000103084310 555263134 /nfs/dbraw/zinc/26/31/34/555263134.db2.gz VDTZEOMPYHDHJQ-UHFFFAOYSA-N 0 0 592.095 3.745 50 0 KHAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000103084316 555263116 /nfs/dbraw/zinc/26/31/16/555263116.db2.gz GWZYRNLWJKXABS-UHFFFAOYSA-N 0 0 580.084 3.519 50 0 KHAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)c1 ZINC000103084510 555263287 /nfs/dbraw/zinc/26/32/87/555263287.db2.gz NGOZOVWVMAJBOO-QHCPKHFHSA-N 0 0 552.653 3.511 50 0 KHAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccco2)c1 ZINC000103084511 555263284 /nfs/dbraw/zinc/26/32/84/555263284.db2.gz NGOZOVWVMAJBOO-HSZRJFAPSA-N 0 0 552.653 3.511 50 0 KHAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)CSc1nnnn1-c1cc(C)ccc1OC ZINC000103084520 555263246 /nfs/dbraw/zinc/26/32/46/555263246.db2.gz VVUQGLDCWPMIMF-UHFFFAOYSA-N 0 0 546.675 3.739 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2-c2ccccc2)cc1 ZINC000103084579 555263292 /nfs/dbraw/zinc/26/32/92/555263292.db2.gz OTDOXTHQPRFYOW-UHFFFAOYSA-N 0 0 563.705 3.877 50 0 KHAARN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103084785 555263571 /nfs/dbraw/zinc/26/35/71/555263571.db2.gz CIDFHBVCRIRUNF-FQEVSTJZSA-N 0 0 564.689 3.585 50 0 KHAARN C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103084789 555263562 /nfs/dbraw/zinc/26/35/62/555263562.db2.gz CIDFHBVCRIRUNF-HXUWFJFHSA-N 0 0 564.689 3.585 50 0 KHAARN COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)c1 ZINC000103084896 555263553 /nfs/dbraw/zinc/26/35/53/555263553.db2.gz ZUAYRPLRJBOXRO-QHCPKHFHSA-N 0 0 557.717 3.585 50 0 KHAARN COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)NC(C)(C)C)c1 ZINC000103084898 555263549 /nfs/dbraw/zinc/26/35/49/555263549.db2.gz ZUAYRPLRJBOXRO-HSZRJFAPSA-N 0 0 557.717 3.585 50 0 KHAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)NC(=O)NCc1ccccc1 ZINC000103085067 1066535681 /nfs/dbraw/zinc/53/56/81/1066535681.db2.gz VOFDWDVIDVSMMH-OWBHPGMISA-N 0 0 538.560 3.893 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000103085216 555263762 /nfs/dbraw/zinc/26/37/62/555263762.db2.gz YJNXDDKHSUNCAK-UHFFFAOYSA-N 0 0 568.092 3.520 50 0 KHAARN COc1cc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103085267 555264031 /nfs/dbraw/zinc/26/40/31/555264031.db2.gz IFMOLVIQOGGFQS-UHFFFAOYSA-N 0 0 558.469 3.697 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000103085379 555264006 /nfs/dbraw/zinc/26/40/06/555264006.db2.gz XQUSOOTWNOZBTC-UHFFFAOYSA-N 0 0 622.165 3.624 50 0 KHAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000103085384 555264004 /nfs/dbraw/zinc/26/40/04/555264004.db2.gz RRSAKFRPJQSVSQ-UHFFFAOYSA-N 0 0 568.681 3.570 50 0 KHAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC ZINC000103085675 555264297 /nfs/dbraw/zinc/26/42/97/555264297.db2.gz XSWMHEBZEVYIMV-UHFFFAOYSA-N 0 0 571.608 3.519 50 0 KHAARN 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CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)CC(C)C ZINC000103099276 555276666 /nfs/dbraw/zinc/27/66/66/555276666.db2.gz PALNMOATMVUGMA-UHFFFAOYSA-N 0 0 563.786 3.707 50 0 KHAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000103099285 555276835 /nfs/dbraw/zinc/27/68/35/555276835.db2.gz AZOWPOLQOMSPFV-UHFFFAOYSA-N 0 0 571.184 3.864 50 0 KHAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000103099326 555276831 /nfs/dbraw/zinc/27/68/31/555276831.db2.gz XMDDWCURHHSBGU-UHFFFAOYSA-N 0 0 579.163 3.731 50 0 KHAARN CCCN(CC(=O)N(Cc1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103099372 555276800 /nfs/dbraw/zinc/27/68/00/555276800.db2.gz VUEVVNCPVBUBIC-UHFFFAOYSA-N 0 0 629.801 3.987 50 0 KHAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000103099393 555276772 /nfs/dbraw/zinc/27/67/72/555276772.db2.gz XXMOVQLFDMBEOD-UHFFFAOYSA-N 0 0 550.121 3.662 50 0 KHAARN 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KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000103115996 555288074 /nfs/dbraw/zinc/28/80/74/555288074.db2.gz REMVBPWHOMNHFF-UHFFFAOYSA-N 0 0 533.572 3.596 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC000103116067 555288287 /nfs/dbraw/zinc/28/82/87/555288287.db2.gz YVDTVPONUFROLK-UHFFFAOYSA-N 0 0 557.713 3.688 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)c2)cc1OC ZINC000103116100 555288268 /nfs/dbraw/zinc/28/82/68/555288268.db2.gz ANDZFBDEUWIMFB-UHFFFAOYSA-N 0 0 589.661 3.816 50 0 KHAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000103116187 555288251 /nfs/dbraw/zinc/28/82/51/555288251.db2.gz RTBVNCTUBPQBAG-UHFFFAOYSA-N 0 0 533.602 3.871 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000103116273 555288259 /nfs/dbraw/zinc/28/82/59/555288259.db2.gz LCEPBQVQYGLXKK-IBVKSMDESA-N 0 0 575.131 3.947 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000103116276 555288283 /nfs/dbraw/zinc/28/82/83/555288283.db2.gz LCEPBQVQYGLXKK-FQRUVTKNSA-N 0 0 575.131 3.947 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000103116299 555288294 /nfs/dbraw/zinc/28/82/94/555288294.db2.gz DTHSCRUYUTUFRY-UHFFFAOYSA-N 0 0 555.012 3.516 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)n(CCc1ccccc1)c2=O ZINC000103116624 555288483 /nfs/dbraw/zinc/28/84/83/555288483.db2.gz DTCXTASYAUROJD-XMMPIXPASA-N 0 0 597.759 3.866 50 0 KHAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)n(CCc1ccccc1)c2=O ZINC000103116627 555288521 /nfs/dbraw/zinc/28/85/21/555288521.db2.gz DTCXTASYAUROJD-DEOSSOPVSA-N 0 0 597.759 3.866 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)c2)cc1OC ZINC000103117097 555288692 /nfs/dbraw/zinc/28/86/92/555288692.db2.gz SXBRVXXSFCCYSN-QHCPKHFHSA-N 0 0 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KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)NC(C)(C)C)CC3)nn2)c(OC)c1 ZINC000103119093 555289281 /nfs/dbraw/zinc/28/92/81/555289281.db2.gz YOWBBCDBNRDBJU-UHFFFAOYSA-N 0 0 590.681 3.548 50 0 KHAARN CCn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nc2scc(-c3cccs3)c2c1=O ZINC000103119808 555289698 /nfs/dbraw/zinc/28/96/98/555289698.db2.gz PICFIHONEGZANK-XMMPIXPASA-N 0 0 539.664 3.797 50 0 KHAARN CCn1c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nc2scc(-c3cccs3)c2c1=O ZINC000103119810 555289765 /nfs/dbraw/zinc/28/97/65/555289765.db2.gz PICFIHONEGZANK-DEOSSOPVSA-N 0 0 539.664 3.797 50 0 KHAARN O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccccc21)NCCN1C(=O)CSC1=O ZINC000103119866 555289735 /nfs/dbraw/zinc/28/97/35/555289735.db2.gz NPZVIHXSLRWIGS-UHFFFAOYSA-N 0 0 517.430 3.963 50 0 KHAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CSc1ncnc2sccc21 ZINC000103119892 555289728 /nfs/dbraw/zinc/28/97/28/555289728.db2.gz KAOCXOQRZYYXMY-UHFFFAOYSA-N 0 0 532.644 3.599 50 0 KHAARN CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)N(C)C ZINC000103121563 555290646 /nfs/dbraw/zinc/29/06/46/555290646.db2.gz JNLWXNUPEATLCE-BKSPAHHJSA-N 0 0 586.784 3.868 50 0 KHAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)N(C)C ZINC000103121565 555290677 /nfs/dbraw/zinc/29/06/77/555290677.db2.gz JNLWXNUPEATLCE-TYBLODHISA-N 0 0 586.784 3.868 50 0 KHAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1Cc1ccccc1)N(C)C ZINC000103121573 555290743 /nfs/dbraw/zinc/29/07/43/555290743.db2.gz JNLWXNUPEATLCE-DNRQZRRGSA-N 0 0 586.784 3.868 50 0 KHAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)N(C)C ZINC000103121835 555290728 /nfs/dbraw/zinc/29/07/28/555290728.db2.gz UQGIZWDJIKGZLL-AWEZNQCLSA-N 0 0 541.074 3.664 50 0 KHAARN C[C@H](c1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)n1-c1ccc(F)cc1)N(C)C ZINC000103121837 555290707 /nfs/dbraw/zinc/29/07/07/555290707.db2.gz UQGIZWDJIKGZLL-CQSZACIVSA-N 0 0 541.074 3.664 50 0 KHAARN CCCCCN(C(=O)COC(=O)C=Cc1c(C)nn(-c2ccc(F)cc2)c1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000103122422 1066536217 /nfs/dbraw/zinc/53/62/17/1066536217.db2.gz QKLFCZCCUMECGP-YPKPFQOOSA-N 0 0 589.068 3.985 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000103122696 555291395 /nfs/dbraw/zinc/29/13/95/555291395.db2.gz XWNYPIWELNJDDM-UHFFFAOYSA-N 0 0 536.650 3.868 50 0 KHAARN C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124949 555292927 /nfs/dbraw/zinc/29/29/27/555292927.db2.gz AOPCRQNBSSYNIT-GOSISDBHSA-N 0 0 564.131 3.729 50 0 KHAARN C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCN(c4ccccc4F)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124950 555292946 /nfs/dbraw/zinc/29/29/46/555292946.db2.gz AOPCRQNBSSYNIT-SFHVURJKSA-N 0 0 564.131 3.729 50 0 KHAARN C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124993 555292971 /nfs/dbraw/zinc/29/29/71/555292971.db2.gz KKRAWEWNAJQHDQ-HXUWFJFHSA-N 0 0 560.168 3.585 50 0 KHAARN C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124996 555292918 /nfs/dbraw/zinc/29/29/18/555292918.db2.gz KKRAWEWNAJQHDQ-FQEVSTJZSA-N 0 0 560.168 3.585 50 0 KHAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC(C)C ZINC000103125083 555293232 /nfs/dbraw/zinc/29/32/32/555293232.db2.gz ULGSNWOELSZQJG-UHFFFAOYSA-N 0 0 607.780 3.818 50 0 KHAARN COc1ccccc1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC(C)C ZINC000103125085 555293244 /nfs/dbraw/zinc/29/32/44/555293244.db2.gz HSGKQHLWDFMXPT-UHFFFAOYSA-N 0 0 530.672 3.606 50 0 KHAARN CC(C)Cn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103125088 555293248 /nfs/dbraw/zinc/29/32/48/555293248.db2.gz DTDBLPQUOOZSKH-UHFFFAOYSA-N 0 0 581.667 3.954 50 0 KHAARN O=C(COC(=O)CCc1nc2ccccc2n1-c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000103125214 555293438 /nfs/dbraw/zinc/29/34/38/555293438.db2.gz OXINQRWIXNUGLF-UHFFFAOYSA-N 0 0 583.066 3.814 50 0 KHAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000103125411 1066536407 /nfs/dbraw/zinc/53/64/07/1066536407.db2.gz RNBJYLQWFUTEPT-GHXNOFRVSA-N 0 0 546.443 3.778 50 0 KHAARN COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2CCc2ccccc2)cc1 ZINC000103126602 555294653 /nfs/dbraw/zinc/29/46/53/555294653.db2.gz USPWHLGUYOPGCP-UHFFFAOYSA-N 0 0 531.638 3.866 50 0 KHAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103126755 555294814 /nfs/dbraw/zinc/29/48/14/555294814.db2.gz CSRTWHHHVMUOLM-QGZVFWFLSA-N 0 0 544.703 3.776 50 0 KHAARN CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103126757 555294796 /nfs/dbraw/zinc/29/47/96/555294796.db2.gz CSRTWHHHVMUOLM-KRWDZBQOSA-N 0 0 544.703 3.776 50 0 KHAARN CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)nc2c1 ZINC000103126794 555294820 /nfs/dbraw/zinc/29/48/20/555294820.db2.gz WSSOKTBSABDETF-UHFFFAOYSA-N 0 0 567.759 3.711 50 0 KHAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc(SCCN2C(=O)c3ccccc3C2=O)n1-c1ccccc1 ZINC000103126817 555294755 /nfs/dbraw/zinc/29/47/55/555294755.db2.gz MKEVIYGMNHXQPJ-UHFFFAOYSA-N 0 0 589.699 3.652 50 0 KHAARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103126987 555295064 /nfs/dbraw/zinc/29/50/64/555295064.db2.gz VIEZLSMXQSFYFB-SFHVURJKSA-N 0 0 563.677 3.719 50 0 KHAARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103126989 555295090 /nfs/dbraw/zinc/29/50/90/555295090.db2.gz VIEZLSMXQSFYFB-GOSISDBHSA-N 0 0 563.677 3.719 50 0 KHAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1OC ZINC000103127173 555295196 /nfs/dbraw/zinc/29/51/96/555295196.db2.gz GGIPOEIBKUKJEL-UHFFFAOYSA-N 0 0 529.958 3.801 50 0 KHAARN Cc1ccc(C)c(-n2c(=O)c3c(nc2SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)sc2c3CC[C@@H](C)C2)c1 ZINC000103127985 555296059 /nfs/dbraw/zinc/29/60/59/555296059.db2.gz LCCCGCIIXUHQSK-AEFFLSMTSA-N 0 0 545.752 3.926 50 0 KHAARN 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COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000103175803 555327231 /nfs/dbraw/zinc/32/72/31/555327231.db2.gz UCJSEVZXIGGANM-QFIPXVFZSA-N 0 0 595.718 3.576 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000103175804 555327228 /nfs/dbraw/zinc/32/72/28/555327228.db2.gz UCJSEVZXIGGANM-JOCHJYFZSA-N 0 0 595.718 3.576 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000103181141 555328984 /nfs/dbraw/zinc/32/89/84/555328984.db2.gz SINOSQCPUNMTQN-UHFFFAOYSA-N 0 0 587.739 3.989 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000103181180 555329215 /nfs/dbraw/zinc/32/92/15/555329215.db2.gz XEINGMDIUKXJFY-GOSISDBHSA-N 0 0 541.592 3.977 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000103181183 555329229 /nfs/dbraw/zinc/32/92/29/555329229.db2.gz XEINGMDIUKXJFY-SFHVURJKSA-N 0 0 541.592 3.977 50 0 KHAARN COc1ccc(S(=O)(=O)N(Cc2cnc(S(=O)(=O)Cc3cccc(OC)c3)n2CC(C)C)C2CC2)cc1 ZINC000103181782 555329267 /nfs/dbraw/zinc/32/92/67/555329267.db2.gz UPGDUNXTUSBTQK-UHFFFAOYSA-N 0 0 547.699 3.884 50 0 KHAARN CCOC(=O)C1CCN(C(=O)COc2cccn3c(=O)c(-c4cc(C)n(-c5cccc(Cl)c5)n4)c(C)nc23)CC1 ZINC000103183626 555329975 /nfs/dbraw/zinc/32/99/75/555329975.db2.gz PKVBSGRZLNYVFN-UHFFFAOYSA-N 0 0 564.042 3.998 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c2)cc1 ZINC000103184214 555330351 /nfs/dbraw/zinc/33/03/51/555330351.db2.gz QPTBZEQAVLYJCC-UHFFFAOYSA-N 0 0 584.091 3.832 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@H](c4ccc(C)cc4)N23)CC1 ZINC000103184958 555330570 /nfs/dbraw/zinc/33/05/70/555330570.db2.gz RGZJNAHDWOPGPL-VWLOTQADSA-N 0 0 541.670 3.951 50 0 KHAARN CCOC(=O)C1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@@H](c4ccc(C)cc4)N23)CC1 ZINC000103184961 555330624 /nfs/dbraw/zinc/33/06/24/555330624.db2.gz RGZJNAHDWOPGPL-RUZDIDTESA-N 0 0 541.670 3.951 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@H](c4ccc(C)cc4)N23)C1 ZINC000103185736 555331232 /nfs/dbraw/zinc/33/12/32/555331232.db2.gz PXWXMOVNEOPDGG-BWKNWUBXSA-N 0 0 541.670 3.951 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@H](c4ccc(C)cc4)N23)C1 ZINC000103185739 555331285 /nfs/dbraw/zinc/33/12/85/555331285.db2.gz PXWXMOVNEOPDGG-OFVILXPXSA-N 0 0 541.670 3.951 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@@H](c4ccc(C)cc4)N23)C1 ZINC000103185741 555331264 /nfs/dbraw/zinc/33/12/64/555331264.db2.gz PXWXMOVNEOPDGG-PXDATVDWSA-N 0 0 541.670 3.951 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OCCOC)[C@@H](c4ccc(C)cc4)N23)C1 ZINC000103185745 555331251 /nfs/dbraw/zinc/33/12/51/555331251.db2.gz PXWXMOVNEOPDGG-SQJMNOBHSA-N 0 0 541.670 3.951 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)c4ccccc4)CC3)nn2)c(OC)c1 ZINC000103190922 555333420 /nfs/dbraw/zinc/33/34/20/555333420.db2.gz ZJSWFTADPPZERI-UHFFFAOYSA-N 0 0 595.656 3.881 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103196188 555334862 /nfs/dbraw/zinc/33/48/62/555334862.db2.gz GMFFKURDJJGWHE-UHFFFAOYSA-N 0 0 569.749 3.850 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)c1 ZINC000103196255 555334843 /nfs/dbraw/zinc/33/48/43/555334843.db2.gz ZKBMNWMWFAPHHY-UHFFFAOYSA-N 0 0 553.681 3.538 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccc(OC)c(OC)c4)ccc3OC)CC2)cc1 ZINC000103196289 555334908 /nfs/dbraw/zinc/33/49/08/555334908.db2.gz GJJJPJODVQJLRU-UHFFFAOYSA-N 0 0 617.790 3.649 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000103196322 555334860 /nfs/dbraw/zinc/33/48/60/555334860.db2.gz GPSBPAAYEZPWGL-UHFFFAOYSA-N 0 0 569.655 3.561 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccccc4)CC3)c2)cc1OC ZINC000103196379 555334871 /nfs/dbraw/zinc/33/48/71/555334871.db2.gz DUKNPCGAIQEDOY-UHFFFAOYSA-N 0 0 553.681 3.538 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000103197119 555335224 /nfs/dbraw/zinc/33/52/24/555335224.db2.gz SSSWIQHXVVEKSL-UHFFFAOYSA-N 0 0 626.801 3.808 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000103197138 555335473 /nfs/dbraw/zinc/33/54/73/555335473.db2.gz XTUCZWRFAKLDPP-UHFFFAOYSA-N 0 0 587.645 3.700 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000103197764 555335667 /nfs/dbraw/zinc/33/56/67/555335667.db2.gz RSAWTKXSCMAFLT-UHFFFAOYSA-N 0 0 569.749 3.878 50 0 KHAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccc(OC)c(OC)c4)ccc3OC)CC2)c1 ZINC000103198621 555336031 /nfs/dbraw/zinc/33/60/31/555336031.db2.gz LKKTYTNPVBWRTQ-UHFFFAOYSA-N 0 0 613.733 3.555 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200029 555337236 /nfs/dbraw/zinc/33/72/36/555337236.db2.gz LEVUHKLGJPSDMJ-UPVQGACJSA-N 0 0 551.080 3.605 50 0 KHAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc(OC)c1OC ZINC000103200032 555337197 /nfs/dbraw/zinc/33/71/97/555337197.db2.gz LEVUHKLGJPSDMJ-LADGPHEKSA-N 0 0 551.080 3.605 50 0 KHAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)Cc1ccccc1 ZINC000103200261 555337205 /nfs/dbraw/zinc/33/72/05/555337205.db2.gz GQNZLVLGGKKXSW-UHFFFAOYSA-N 0 0 542.467 3.817 50 0 KHAARN O=C(N[C@@H](C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000103200972 555337208 /nfs/dbraw/zinc/33/72/08/555337208.db2.gz XZAPLFFNIYYEOD-HSZRJFAPSA-N 0 0 534.009 3.588 50 0 KHAARN O=C(N[C@H](C(=O)NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000103200975 555337213 /nfs/dbraw/zinc/33/72/13/555337213.db2.gz XZAPLFFNIYYEOD-QHCPKHFHSA-N 0 0 534.009 3.588 50 0 KHAARN COc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)cc1 ZINC000103201280 555337510 /nfs/dbraw/zinc/33/75/10/555337510.db2.gz DGMCKMGIDKUTQI-UHFFFAOYSA-N 0 0 567.712 3.546 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)S(=O)(=O)c4ccc(OC)cc4)CC3)nn2)cc1 ZINC000103202232 555337847 /nfs/dbraw/zinc/33/78/47/555337847.db2.gz YAFVLCMVCNBBIO-UHFFFAOYSA-N 0 0 587.702 3.701 50 0 KHAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)c(OC)c1 ZINC000103202776 555338078 /nfs/dbraw/zinc/33/80/78/555338078.db2.gz PJGPQKFQVOZXNK-UHFFFAOYSA-N 0 0 586.114 3.564 50 0 KHAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NN3CCOCC3)C[C@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103203811 555338610 /nfs/dbraw/zinc/33/86/10/555338610.db2.gz QRAWPOCULILHFX-HLPJKERBSA-N 0 0 549.039 3.997 50 0 KHAARN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NN3CCOCC3)C[C@@H](OCc3cccc(Cl)c3)[C@@H]2O1 ZINC000103203814 555338605 /nfs/dbraw/zinc/33/86/05/555338605.db2.gz QRAWPOCULILHFX-YKKMPQLRSA-N 0 0 549.039 3.997 50 0 KHAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1)S(=O)(=O)c1ccccc1 ZINC000103205657 555338826 /nfs/dbraw/zinc/33/88/26/555338826.db2.gz DHSSEMIXFNQETQ-UHFFFAOYSA-N 0 0 607.773 3.903 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc(Cl)cc(N3CCN(C(=O)NC(C)(C)C)[C@H](C)C3)n2)cc1OC ZINC000103210539 555339683 /nfs/dbraw/zinc/33/96/83/555339683.db2.gz JERVVAZYMBGVSQ-QGZVFWFLSA-N 0 0 565.140 3.617 50 0 KHAARN COc1ccc(CCNC(=O)CSc2nc(Cl)cc(N3CCN(C(=O)NC(C)(C)C)[C@@H](C)C3)n2)cc1OC ZINC000103210542 555339586 /nfs/dbraw/zinc/33/95/86/555339586.db2.gz JERVVAZYMBGVSQ-KRWDZBQOSA-N 0 0 565.140 3.617 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103210942 555339953 /nfs/dbraw/zinc/33/99/53/555339953.db2.gz VFKDTDOGOUSZJJ-VWLOTQADSA-N 0 0 594.656 3.924 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103210947 555340049 /nfs/dbraw/zinc/34/00/49/555340049.db2.gz VFKDTDOGOUSZJJ-RUZDIDTESA-N 0 0 594.656 3.924 50 0 KHAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5OC)n4)c(=O)n23)C1 ZINC000103211437 555340047 /nfs/dbraw/zinc/34/00/47/555340047.db2.gz GMRAMGFINLKYEN-LJQANCHMSA-N 0 0 549.653 3.578 50 0 KHAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccccc5OC)n4)c(=O)n23)C1 ZINC000103211441 555340054 /nfs/dbraw/zinc/34/00/54/555340054.db2.gz GMRAMGFINLKYEN-IBGZPJMESA-N 0 0 549.653 3.578 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3cccc(F)c3F)C2)c1 ZINC000103212528 555340266 /nfs/dbraw/zinc/34/02/66/555340266.db2.gz JBVFZQBUUNLLFE-MTJPYFAZSA-N 0 0 546.611 3.791 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3cccc(F)c3F)C2)c1 ZINC000103212533 555340159 /nfs/dbraw/zinc/34/01/59/555340159.db2.gz JBVFZQBUUNLLFE-OXMFQOBNSA-N 0 0 546.611 3.791 50 0 KHAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C(=O)OC)cc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000103220950 555341166 /nfs/dbraw/zinc/34/11/66/555341166.db2.gz RLWOXJVSANLXCJ-UHFFFAOYSA-N 0 0 539.592 3.860 50 0 KHAARN CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103222267 555341105 /nfs/dbraw/zinc/34/11/05/555341105.db2.gz OWTZKZKUGRXWJZ-UHFFFAOYSA-N 0 0 544.077 3.555 50 0 KHAARN COc1ccc(CCNS(=O)(=O)c2cc(NC(=O)COc3ccccc3)ccc2N2CCCC2)cc1OC ZINC000103229593 555341767 /nfs/dbraw/zinc/34/17/67/555341767.db2.gz FAVPGOSGPVVDKD-UHFFFAOYSA-N 0 0 539.654 3.843 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103236848 555342277 /nfs/dbraw/zinc/34/22/77/555342277.db2.gz RGAGOTGBSQIBJW-OPAMFIHVSA-N 0 0 534.535 3.658 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103236851 555342327 /nfs/dbraw/zinc/34/23/27/555342327.db2.gz RGAGOTGBSQIBJW-ZHRRBRCNSA-N 0 0 534.535 3.658 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000103248079 555343753 /nfs/dbraw/zinc/34/37/53/555343753.db2.gz DEDNQHLKWJTCNY-JOCHJYFZSA-N 0 0 535.428 3.948 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000103248082 555343832 /nfs/dbraw/zinc/34/38/32/555343832.db2.gz DEDNQHLKWJTCNY-QFIPXVFZSA-N 0 0 535.428 3.948 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000103248138 555343768 /nfs/dbraw/zinc/34/37/68/555343768.db2.gz UHONQCRPAOVSQI-IVZQSRNASA-N 0 0 535.428 3.946 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000103248139 555343818 /nfs/dbraw/zinc/34/38/18/555343818.db2.gz UHONQCRPAOVSQI-QRQCRPRQSA-N 0 0 535.428 3.946 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000103248156 555343800 /nfs/dbraw/zinc/34/38/00/555343800.db2.gz FXMZGKZAVDAMBP-QFIPXVFZSA-N 0 0 534.535 3.660 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000103248158 555343647 /nfs/dbraw/zinc/34/36/47/555343647.db2.gz FXMZGKZAVDAMBP-JOCHJYFZSA-N 0 0 534.535 3.660 50 0 KHAARN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)C2CC2)cc1OC ZINC000103252714 555344539 /nfs/dbraw/zinc/34/45/39/555344539.db2.gz UZPGYJCPKYCGEJ-UHFFFAOYSA-N 0 0 568.074 3.719 50 0 KHAARN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1OC ZINC000103252783 555344535 /nfs/dbraw/zinc/34/45/35/555344535.db2.gz ZZQZCWBQCFOJOU-UHFFFAOYSA-N 0 0 570.090 3.965 50 0 KHAARN COc1ccc(-c2cn(-c3ccc(F)cc3)c(NC(=O)CN(CCN3CCOCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 ZINC000103253037 555344820 /nfs/dbraw/zinc/34/48/20/555344820.db2.gz PHGGXOPZSKPGCN-UHFFFAOYSA-N 0 0 623.707 3.657 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000103257644 555345969 /nfs/dbraw/zinc/34/59/69/555345969.db2.gz PNJBLDJNEOQOOA-MHZLTWQESA-N 0 0 565.715 3.752 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103257648 555346008 /nfs/dbraw/zinc/34/60/08/555346008.db2.gz PNJBLDJNEOQOOA-HHHXNRCGSA-N 0 0 565.715 3.752 50 0 KHAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cc(OC)ccc1OC ZINC000103257663 555346046 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3.588 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395282 555379939 /nfs/dbraw/zinc/37/99/39/555379939.db2.gz BXVRCNBAYYSXRZ-NDEPHWFRSA-N 0 0 548.684 3.651 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395286 555379824 /nfs/dbraw/zinc/37/98/24/555379824.db2.gz BXVRCNBAYYSXRZ-MUUNZHRXSA-N 0 0 548.684 3.651 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)cc1 ZINC000103395342 555380220 /nfs/dbraw/zinc/38/02/20/555380220.db2.gz YIAUJTSECYMRFQ-PMERELPUSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccc(F)c2)cc1 ZINC000103395346 555380228 /nfs/dbraw/zinc/38/02/28/555380228.db2.gz YIAUJTSECYMRFQ-SSEXGKCCSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395389 555380251 /nfs/dbraw/zinc/38/02/51/555380251.db2.gz GOTTZUHHWYJAOH-NDEPHWFRSA-N 0 0 566.674 3.872 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395392 555380163 /nfs/dbraw/zinc/38/01/63/555380163.db2.gz GOTTZUHHWYJAOH-MUUNZHRXSA-N 0 0 566.674 3.872 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395405 555380208 /nfs/dbraw/zinc/38/02/08/555380208.db2.gz YHLICZHXOAHMGZ-MHZLTWQESA-N 0 0 565.715 3.832 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395408 555380264 /nfs/dbraw/zinc/38/02/64/555380264.db2.gz YHLICZHXOAHMGZ-HHHXNRCGSA-N 0 0 565.715 3.832 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395429 555380159 /nfs/dbraw/zinc/38/01/59/555380159.db2.gz KAULEZKSUSIBNM-SANMLTNESA-N 0 0 569.678 3.663 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000103395432 555380170 /nfs/dbraw/zinc/38/01/70/555380170.db2.gz KAULEZKSUSIBNM-AREMUKBSSA-N 0 0 569.678 3.663 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395565 555380458 /nfs/dbraw/zinc/38/04/58/555380458.db2.gz HSDNDPAVICXZAK-MHZLTWQESA-N 0 0 560.651 3.758 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccco3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000103395568 555380523 /nfs/dbraw/zinc/38/05/23/555380523.db2.gz HSDNDPAVICXZAK-HHHXNRCGSA-N 0 0 560.651 3.758 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000103395872 555381203 /nfs/dbraw/zinc/38/12/03/555381203.db2.gz HQTQKNQBVHCJNR-VWLOTQADSA-N 0 0 539.652 3.654 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000103395874 555381128 /nfs/dbraw/zinc/38/11/28/555381128.db2.gz HQTQKNQBVHCJNR-RUZDIDTESA-N 0 0 539.652 3.654 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NCCN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3ccc(F)cc3F)C2)c1 ZINC000103397069 555382744 /nfs/dbraw/zinc/38/27/44/555382744.db2.gz OKTJEDUVTLYOKN-FATKCUQPSA-N 0 0 574.665 3.876 50 0 KHAARN Cc1cccc(CO[C@@]2(C(=O)NCCN3CCOCC3)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3ccc(F)cc3F)C2)c1 ZINC000103397073 555382695 /nfs/dbraw/zinc/38/26/95/555382695.db2.gz OKTJEDUVTLYOKN-SMXDRTIVSA-N 0 0 574.665 3.876 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103397237 555383116 /nfs/dbraw/zinc/38/31/16/555383116.db2.gz FXEZGDGGCPQWBC-SANMLTNESA-N 0 0 592.718 3.926 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000103397240 555383040 /nfs/dbraw/zinc/38/30/40/555383040.db2.gz FXEZGDGGCPQWBC-AREMUKBSSA-N 0 0 592.718 3.926 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1OC ZINC000103397315 555383013 /nfs/dbraw/zinc/38/30/13/555383013.db2.gz PKIJRSGUOUTLPY-DEOSSOPVSA-N 0 0 554.713 3.794 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1OC ZINC000103397317 555383292 /nfs/dbraw/zinc/38/32/92/555383292.db2.gz PKIJRSGUOUTLPY-XMMPIXPASA-N 0 0 554.713 3.794 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1OC ZINC000103397419 555383249 /nfs/dbraw/zinc/38/32/49/555383249.db2.gz PTEQPNKSAXSISC-QFIPXVFZSA-N 0 0 568.721 3.979 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1OC ZINC000103397423 555383244 /nfs/dbraw/zinc/38/32/44/555383244.db2.gz PTEQPNKSAXSISC-JOCHJYFZSA-N 0 0 568.721 3.979 50 0 KHAARN O=C1CS[C@@H](c2cccc(C(F)(F)F)c2)N1CCN1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000103398190 555384615 /nfs/dbraw/zinc/38/46/15/555384615.db2.gz BWDPNDKDVBXKGG-DEOSSOPVSA-N 0 0 550.628 3.834 50 0 KHAARN O=C1CS[C@H](c2cccc(C(F)(F)F)c2)N1CCN1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000103398192 555384696 /nfs/dbraw/zinc/38/46/96/555384696.db2.gz BWDPNDKDVBXKGG-XMMPIXPASA-N 0 0 550.628 3.834 50 0 KHAARN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103399229 555385604 /nfs/dbraw/zinc/38/56/04/555385604.db2.gz JAOVCYPBXAQSAQ-UHFFFAOYSA-N 0 0 541.633 3.925 50 0 KHAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000103399246 555385609 /nfs/dbraw/zinc/38/56/09/555385609.db2.gz VTIBDSJNBLPYJO-UHFFFAOYSA-N 0 0 572.449 3.617 50 0 KHAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C(C)C)cc1 ZINC000103399329 555385709 /nfs/dbraw/zinc/38/57/09/555385709.db2.gz VUGYJMNYLOTTFG-UHFFFAOYSA-N 0 0 544.077 3.554 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000103399898 555385821 /nfs/dbraw/zinc/38/58/21/555385821.db2.gz SMHLBBVMEOAEOO-SANMLTNESA-N 0 0 539.652 3.654 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000103399901 555385749 /nfs/dbraw/zinc/38/57/49/555385749.db2.gz SMHLBBVMEOAEOO-AREMUKBSSA-N 0 0 539.652 3.654 50 0 KHAARN COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccco1 ZINC000103399961 555386053 /nfs/dbraw/zinc/38/60/53/555386053.db2.gz WBJIXWPFCAGFBV-VWLOTQADSA-N 0 0 549.603 3.971 50 0 KHAARN COc1ccccc1NC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccco1 ZINC000103399964 555386070 /nfs/dbraw/zinc/38/60/70/555386070.db2.gz WBJIXWPFCAGFBV-RUZDIDTESA-N 0 0 549.603 3.971 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000103399977 555386121 /nfs/dbraw/zinc/38/61/21/555386121.db2.gz GOFVRLUDSMPHRH-LJAQVGFWSA-N 0 0 578.710 3.741 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000103399980 555386034 /nfs/dbraw/zinc/38/60/34/555386034.db2.gz GOFVRLUDSMPHRH-GDLZYMKVSA-N 0 0 578.710 3.741 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1 ZINC000103400005 555386087 /nfs/dbraw/zinc/38/60/87/555386087.db2.gz HTVREDIHMXPUEG-MHZLTWQESA-N 0 0 539.076 3.987 50 0 KHAARN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C2CCC2)cc1 ZINC000103400007 555386112 /nfs/dbraw/zinc/38/61/12/555386112.db2.gz HTVREDIHMXPUEG-HHHXNRCGSA-N 0 0 539.076 3.987 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000103400025 555386059 /nfs/dbraw/zinc/38/60/59/555386059.db2.gz ORQOUELPNXMHNF-MHZLTWQESA-N 0 0 581.714 3.532 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)(C)C)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000103400028 555386040 /nfs/dbraw/zinc/38/60/40/555386040.db2.gz ORQOUELPNXMHNF-HHHXNRCGSA-N 0 0 581.714 3.532 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103400032 555386097 /nfs/dbraw/zinc/38/60/97/555386097.db2.gz WTHOYJXUGREVOY-SANMLTNESA-N 0 0 592.718 3.926 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103400035 555386101 /nfs/dbraw/zinc/38/61/01/555386101.db2.gz WTHOYJXUGREVOY-AREMUKBSSA-N 0 0 592.718 3.926 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103400064 555386357 /nfs/dbraw/zinc/38/63/57/555386357.db2.gz WTYBFYVYQVIYJS-MHZLTWQESA-N 0 0 580.726 3.987 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103400067 555386364 /nfs/dbraw/zinc/38/63/64/555386364.db2.gz WTYBFYVYQVIYJS-HHHXNRCGSA-N 0 0 580.726 3.987 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000103400084 555386368 /nfs/dbraw/zinc/38/63/68/555386368.db2.gz XTEFYFKWMRCPRU-HKBQPEDESA-N 0 0 616.715 3.873 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000103400086 555386394 /nfs/dbraw/zinc/38/63/94/555386394.db2.gz XTEFYFKWMRCPRU-WJOKGBTCSA-N 0 0 616.715 3.873 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@H](c3ccco3)C2)cc1 ZINC000103400115 555386423 /nfs/dbraw/zinc/38/64/23/555386423.db2.gz VGRVTSGDXXNSMO-SANMLTNESA-N 0 0 534.588 3.580 50 0 KHAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@@H](c3ccco3)C2)cc1 ZINC000103400118 555386338 /nfs/dbraw/zinc/38/63/38/555386338.db2.gz VGRVTSGDXXNSMO-AREMUKBSSA-N 0 0 534.588 3.580 50 0 KHAARN COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000103400150 555386352 /nfs/dbraw/zinc/38/63/52/555386352.db2.gz JHSLRZXUSMSLFA-VWLOTQADSA-N 0 0 539.652 3.654 50 0 KHAARN COc1ccccc1[C@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000103400152 555386343 /nfs/dbraw/zinc/38/63/43/555386343.db2.gz JHSLRZXUSMSLFA-RUZDIDTESA-N 0 0 539.652 3.654 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000103400307 555386994 /nfs/dbraw/zinc/38/69/94/555386994.db2.gz BDRHKAOSSAPADH-HKBQPEDESA-N 0 0 616.715 3.873 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000103400310 555387007 /nfs/dbraw/zinc/38/70/07/555387007.db2.gz BDRHKAOSSAPADH-WJOKGBTCSA-N 0 0 616.715 3.873 50 0 KHAARN COCc1nc2c(cnn2-c2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000103400488 555386964 /nfs/dbraw/zinc/38/69/64/555386964.db2.gz FHDUKFDKNFAHIC-UHFFFAOYSA-N 0 0 533.441 3.780 50 0 KHAARN COCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)n1 ZINC000103401367 555386988 /nfs/dbraw/zinc/38/69/88/555386988.db2.gz LAXBVAIRTGGWTI-UHFFFAOYSA-N 0 0 544.077 3.961 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1OC ZINC000103401911 555387529 /nfs/dbraw/zinc/38/75/29/555387529.db2.gz KIIZHXQVVPJZRS-MHZLTWQESA-N 0 0 550.700 3.815 50 0 KHAARN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)C(C)C)cc1OC ZINC000103401914 555387525 /nfs/dbraw/zinc/38/75/25/555387525.db2.gz KIIZHXQVVPJZRS-HHHXNRCGSA-N 0 0 550.700 3.815 50 0 KHAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000103401941 555387945 /nfs/dbraw/zinc/38/79/45/555387945.db2.gz YUKYXXBERACFLC-DEOSSOPVSA-N 0 0 531.565 3.891 50 0 KHAARN COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000103401943 555387942 /nfs/dbraw/zinc/38/79/42/555387942.db2.gz YUKYXXBERACFLC-XMMPIXPASA-N 0 0 531.565 3.891 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)[C@H](c3ccccc3OC)C2)c1 ZINC000103402199 555388052 /nfs/dbraw/zinc/38/80/52/555388052.db2.gz AJLXLQUVQYUCIB-LJAQVGFWSA-N 0 0 574.653 3.995 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402202 555388112 /nfs/dbraw/zinc/38/81/12/555388112.db2.gz AJLXLQUVQYUCIB-GDLZYMKVSA-N 0 0 574.653 3.995 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@H](c3ccccc3OC)C2)c1 ZINC000103402219 555388154 /nfs/dbraw/zinc/38/81/54/555388154.db2.gz XNARQWJYCQLYGS-NDEPHWFRSA-N 0 0 548.684 3.733 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCCC3)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402223 555388116 /nfs/dbraw/zinc/38/81/16/555388116.db2.gz XNARQWJYCQLYGS-MUUNZHRXSA-N 0 0 548.684 3.733 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@H](c3ccccc3OC)C2)c1 ZINC000103402278 555388137 /nfs/dbraw/zinc/38/81/37/555388137.db2.gz RFLSSUYRQJUBGH-SANMLTNESA-N 0 0 562.692 3.918 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3cccs3)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402281 555388151 /nfs/dbraw/zinc/38/81/51/555388151.db2.gz RFLSSUYRQJUBGH-AREMUKBSSA-N 0 0 562.692 3.918 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2OC)cc1 ZINC000103402298 555388096 /nfs/dbraw/zinc/38/80/96/555388096.db2.gz GQZKUXLWQGUCSE-PMERELPUSA-N 0 0 586.689 3.865 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2OC)cc1 ZINC000103402301 555388172 /nfs/dbraw/zinc/38/81/72/555388172.db2.gz GQZKUXLWQGUCSE-SSEXGKCCSA-N 0 0 586.689 3.865 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@H](c3ccccc3OC)C2)c1 ZINC000103402342 555388168 /nfs/dbraw/zinc/38/81/68/555388168.db2.gz XLHHZUIUVKDMHI-MHZLTWQESA-N 0 0 550.700 3.979 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)CC(C)(C)C)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402345 555388081 /nfs/dbraw/zinc/38/80/81/555388081.db2.gz XLHHZUIUVKDMHI-HHHXNRCGSA-N 0 0 550.700 3.979 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1 ZINC000103402356 555388397 /nfs/dbraw/zinc/38/83/97/555388397.db2.gz BVSIHBVINPFOMI-MHZLTWQESA-N 0 0 562.692 3.918 50 0 KHAARN COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2cccs2)cc1 ZINC000103402358 555388405 /nfs/dbraw/zinc/38/84/05/555388405.db2.gz BVSIHBVINPFOMI-HHHXNRCGSA-N 0 0 562.692 3.918 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(F)cc2)cc1 ZINC000103402361 555388473 /nfs/dbraw/zinc/38/84/73/555388473.db2.gz DRFNQLQLUDNLFB-PMERELPUSA-N 0 0 574.653 3.995 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000103402364 555388489 /nfs/dbraw/zinc/38/84/89/555388489.db2.gz DRFNQLQLUDNLFB-SSEXGKCCSA-N 0 0 574.653 3.995 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@H](c3ccccc3OC)C2)c1 ZINC000103402370 555388484 /nfs/dbraw/zinc/38/84/84/555388484.db2.gz VLGVIFCBOPEOLS-LJAQVGFWSA-N 0 0 574.653 3.995 50 0 KHAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)[C@@H](c3ccccc3OC)C2)c1 ZINC000103402374 555388427 /nfs/dbraw/zinc/38/84/27/555388427.db2.gz VLGVIFCBOPEOLS-GDLZYMKVSA-N 0 0 574.653 3.995 50 0 KHAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000103403609 555389753 /nfs/dbraw/zinc/38/97/53/555389753.db2.gz BTUHBMUTHXXEIV-UHFFFAOYSA-N 0 0 588.492 3.905 50 0 KHAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@H]12 ZINC000103405410 555391867 /nfs/dbraw/zinc/39/18/67/555391867.db2.gz XZHKFTRNROCOPK-DHLKQENFSA-N 0 0 503.404 3.900 50 0 KHAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3ncccn3)C[C@H]12 ZINC000103405412 555391785 /nfs/dbraw/zinc/39/17/85/555391785.db2.gz XZHKFTRNROCOPK-WIOPSUGQSA-N 0 0 503.404 3.900 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)C(C)C)c1 ZINC000103405894 555392348 /nfs/dbraw/zinc/39/23/48/555392348.db2.gz JRQIKNASXYDZRO-UHFFFAOYSA-N 0 0 547.656 3.759 50 0 KHAARN COc1ccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)C(C)C)cc1 ZINC000103405911 555392463 /nfs/dbraw/zinc/39/24/63/555392463.db2.gz WYBABMNCFDKGIC-UHFFFAOYSA-N 0 0 547.656 3.759 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccccc4F)C(C)C)CC3)nn2)cc1OC ZINC000103405977 555392366 /nfs/dbraw/zinc/39/23/66/555392366.db2.gz CMBQQTRLJGJJPX-UHFFFAOYSA-N 0 0 535.620 3.889 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4ccc(F)cc4)C(C)C)CC3)nn2)cc1OC ZINC000103405991 555392426 /nfs/dbraw/zinc/39/24/26/555392426.db2.gz WCLSZXNKDNUKDI-UHFFFAOYSA-N 0 0 535.620 3.889 50 0 KHAARN COc1ccc(-c2ccc(N3CCCN(C(=O)CN(C(=O)c4cccc(F)c4)C(C)C)CC3)nn2)cc1OC ZINC000103405994 555392361 /nfs/dbraw/zinc/39/23/61/555392361.db2.gz XLCUCPQHKHSDBQ-UHFFFAOYSA-N 0 0 535.620 3.889 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103406603 555392558 /nfs/dbraw/zinc/39/25/58/555392558.db2.gz OCPPCBXFXGYMTP-IIBYNOLFSA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103406605 555392628 /nfs/dbraw/zinc/39/26/28/555392628.db2.gz OCPPCBXFXGYMTP-IERDGZPVSA-N 0 0 539.599 3.733 50 0 KHAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000103406766 555392598 /nfs/dbraw/zinc/39/25/98/555392598.db2.gz XAOAKHDYJBQWCS-VWLOTQADSA-N 0 0 549.027 3.534 50 0 KHAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000103406768 555392646 /nfs/dbraw/zinc/39/26/46/555392646.db2.gz XAOAKHDYJBQWCS-RUZDIDTESA-N 0 0 549.027 3.534 50 0 KHAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000103406842 555392548 /nfs/dbraw/zinc/39/25/48/555392548.db2.gz XSMAJVKGMJELBJ-VWLOTQADSA-N 0 0 533.028 3.833 50 0 KHAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccccc2Cl)CC3)c1 ZINC000103406845 555392583 /nfs/dbraw/zinc/39/25/83/555392583.db2.gz XSMAJVKGMJELBJ-RUZDIDTESA-N 0 0 533.028 3.833 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)c1 ZINC000103406959 555392931 /nfs/dbraw/zinc/39/29/31/555392931.db2.gz HIKNDTRKWYUYRD-MHZLTWQESA-N 0 0 543.668 3.821 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)c1 ZINC000103406962 555392950 /nfs/dbraw/zinc/39/29/50/555392950.db2.gz HIKNDTRKWYUYRD-HHHXNRCGSA-N 0 0 543.668 3.821 50 0 KHAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(OC)c(OC)c2)cc1 ZINC000103407082 555392903 /nfs/dbraw/zinc/39/29/03/555392903.db2.gz OVQUNADJBIUGAT-UHFFFAOYSA-N 0 0 599.688 3.978 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103407384 555393205 /nfs/dbraw/zinc/39/32/05/555393205.db2.gz FVSNZCXMYFNNHP-FGZHOGPDSA-N 0 0 565.692 3.987 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)c3cccs3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103407387 555393260 /nfs/dbraw/zinc/39/32/60/555393260.db2.gz FVSNZCXMYFNNHP-YADHBBJMSA-N 0 0 565.692 3.987 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3cccs3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103407388 555393190 /nfs/dbraw/zinc/39/31/90/555393190.db2.gz FVSNZCXMYFNNHP-FCHUYYIVSA-N 0 0 565.692 3.987 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)c3cccs3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103407390 555393141 /nfs/dbraw/zinc/39/31/41/555393141.db2.gz FVSNZCXMYFNNHP-VXKWHMMOSA-N 0 0 565.692 3.987 50 0 KHAARN O=C(CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1csnn1 ZINC000103407415 555393236 /nfs/dbraw/zinc/39/32/36/555393236.db2.gz KBUKZUMVZNMHGM-ZOIWUEQXSA-N 0 0 569.687 3.989 50 0 KHAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)Cc2ccc3c(c2)OCO3)c1 ZINC000103407665 555393549 /nfs/dbraw/zinc/39/35/49/555393549.db2.gz PPKZCLHDTOUJJI-UHFFFAOYSA-N 0 0 565.630 3.872 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000103408987 555395036 /nfs/dbraw/zinc/39/50/36/555395036.db2.gz YWPUEESZWWOXIZ-XMMPIXPASA-N 0 0 535.597 3.502 50 0 KHAARN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000103408989 555395160 /nfs/dbraw/zinc/39/51/60/555395160.db2.gz YWPUEESZWWOXIZ-DEOSSOPVSA-N 0 0 535.597 3.502 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000103409068 555395043 /nfs/dbraw/zinc/39/50/43/555395043.db2.gz NUTFWHKXEVNUSJ-RUZDIDTESA-N 0 0 571.074 3.719 50 0 KHAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000103409070 555395067 /nfs/dbraw/zinc/39/50/67/555395067.db2.gz NUTFWHKXEVNUSJ-VWLOTQADSA-N 0 0 571.074 3.719 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000103409111 555395177 /nfs/dbraw/zinc/39/51/77/555395177.db2.gz CVNKXPKJSVPFLM-DEOSSOPVSA-N 0 0 581.522 3.903 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000103409114 555395122 /nfs/dbraw/zinc/39/51/22/555395122.db2.gz CVNKXPKJSVPFLM-XMMPIXPASA-N 0 0 581.522 3.903 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103409849 555395699 /nfs/dbraw/zinc/39/56/99/555395699.db2.gz NUPQTKVJRRUYST-JWQCQUIFSA-N 0 0 559.663 3.926 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103409850 555395710 /nfs/dbraw/zinc/39/57/10/555395710.db2.gz NUPQTKVJRRUYST-RPBOFIJWSA-N 0 0 559.663 3.926 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103409852 555395817 /nfs/dbraw/zinc/39/58/17/555395817.db2.gz NUPQTKVJRRUYST-LOSJGSFVSA-N 0 0 559.663 3.926 50 0 KHAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(C(=O)c3ccccc3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103409854 555395760 /nfs/dbraw/zinc/39/57/60/555395760.db2.gz NUPQTKVJRRUYST-DQEYMECFSA-N 0 0 559.663 3.926 50 0 KHAARN CC(C)n1c(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000103410824 555396700 /nfs/dbraw/zinc/39/67/00/555396700.db2.gz PBBOWTYOURZIDQ-UHFFFAOYSA-N 0 0 559.132 3.995 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000103415074 555397466 /nfs/dbraw/zinc/39/74/66/555397466.db2.gz BLQLLLCKRUJMSC-QGZVFWFLSA-N 0 0 562.541 3.934 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000103415076 555397437 /nfs/dbraw/zinc/39/74/37/555397437.db2.gz BLQLLLCKRUJMSC-KRWDZBQOSA-N 0 0 562.541 3.934 50 0 KHAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4c(F)cccc4F)CC3)c2)cc1OC ZINC000103415084 555397524 /nfs/dbraw/zinc/39/75/24/555397524.db2.gz IXOIYIKOOQXYGY-UHFFFAOYSA-N 0 0 589.661 3.816 50 0 KHAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000103422294 555403131 /nfs/dbraw/zinc/40/31/31/555403131.db2.gz ORJCDQNDFFEVNO-UHFFFAOYSA-N 0 0 601.644 3.885 50 0 KHAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N(C)CCc4ccccc4)ccc3OC)CC2)cc1 ZINC000103422323 555403220 /nfs/dbraw/zinc/40/32/20/555403220.db2.gz ZHPXKELNWBFRAU-UHFFFAOYSA-N 0 0 557.738 3.632 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(cc(C(=O)NCCN4CCOCC4)n3Cc3ccc(F)cc3)c2)cc1 ZINC000103422527 555403186 /nfs/dbraw/zinc/40/31/86/555403186.db2.gz NCSNEZMJOMABOK-UHFFFAOYSA-N 0 0 550.656 4.000 50 0 KHAARN O=C(NCCN1CCOCC1)c1cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1 ZINC000103422542 555403122 /nfs/dbraw/zinc/40/31/22/555403122.db2.gz GYEKXLOGXHDDBM-UHFFFAOYSA-N 0 0 554.619 3.831 50 0 KHAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(c2nc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000103429909 555412262 /nfs/dbraw/zinc/41/22/62/555412262.db2.gz OGTUXLJNVQMCKO-UHFFFAOYSA-N 0 0 524.624 3.664 50 0 KHAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000103436580 555418235 /nfs/dbraw/zinc/41/82/35/555418235.db2.gz MLQMYIOKFDPZIN-QHCPKHFHSA-N 0 0 562.132 3.967 50 0 KHAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000103436583 555418223 /nfs/dbraw/zinc/41/82/23/555418223.db2.gz MLQMYIOKFDPZIN-HSZRJFAPSA-N 0 0 562.132 3.967 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)c2)cc1 ZINC000103438349 555418557 /nfs/dbraw/zinc/41/85/57/555418557.db2.gz ORXAOKKPTAPJME-NRFANRHFSA-N 0 0 539.654 3.645 50 0 KHAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)c2)cc1 ZINC000103438351 555418536 /nfs/dbraw/zinc/41/85/36/555418536.db2.gz ORXAOKKPTAPJME-OAQYLSRUSA-N 0 0 539.654 3.645 50 0 KHAARN Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000103466424 555420771 /nfs/dbraw/zinc/42/07/71/555420771.db2.gz DYNUCIHLRJJBRS-TXADOWMCSA-N 0 0 546.664 3.978 50 0 KHAARN Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000103466425 555420741 /nfs/dbraw/zinc/42/07/41/555420741.db2.gz DYNUCIHLRJJBRS-BAMJFLLESA-N 0 0 546.664 3.978 50 0 KHAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000103494050 555421039 /nfs/dbraw/zinc/42/10/39/555421039.db2.gz SMOQRYGCGRTZCB-TZIWHRDSSA-N 0 0 543.646 3.991 50 0 KHAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000103494052 555420984 /nfs/dbraw/zinc/42/09/84/555420984.db2.gz SMOQRYGCGRTZCB-PZJWPPBQSA-N 0 0 543.646 3.991 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000103518449 555423876 /nfs/dbraw/zinc/42/38/76/555423876.db2.gz ORXRACXOJPKMOT-WLGHQHAYSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000103518452 555423963 /nfs/dbraw/zinc/42/39/63/555423963.db2.gz ORXRACXOJPKMOT-NLZIUFDSSA-N 0 0 522.623 3.603 50 0 KHAARN COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1 ZINC000103531858 555432313 /nfs/dbraw/zinc/43/23/13/555432313.db2.gz UMCLUZSHVHVGKF-VSGBNLITSA-N 0 0 592.737 3.677 50 0 KHAARN COc1cc([C@@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)OC(C)(C)OC3=O)ccc1OC(C)=O ZINC000103531909 555432300 /nfs/dbraw/zinc/43/23/00/555432300.db2.gz YVVHXEQKDFVAFJ-WXFUMESZSA-N 0 0 548.592 3.915 50 0 KHAARN O=C1c2ccccc2C(=O)N1CCc1nnc(CCCCCCCCc2nnc(CCN3C(=O)c4ccccc4C3=O)[nH]2)[nH]1 ZINC000103543286 555439416 /nfs/dbraw/zinc/43/94/16/555439416.db2.gz PMDAIMLTWKPYBA-UHFFFAOYSA-N 0 0 594.676 3.726 50 0 KHAARN O=C(CN1c2ccccc2C(=O)C1=O)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CC=CCC1 ZINC000103550028 555443036 /nfs/dbraw/zinc/44/30/36/555443036.db2.gz OKWWKQVZFWORBC-KMRXNPHXSA-N 0 0 552.587 3.732 50 0 KHAARN O=C(CN1c2ccccc2C(=O)C1=O)N(Cc1cccnc1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 ZINC000103550036 555443128 /nfs/dbraw/zinc/44/31/28/555443128.db2.gz OKWWKQVZFWORBC-PIKZIKFNSA-N 0 0 552.587 3.732 50 0 KHAARN O=C(CN1C(=O)C(=O)c2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000103550055 555443112 /nfs/dbraw/zinc/44/31/12/555443112.db2.gz AQCFXBNWQFGXGU-MUUNZHRXSA-N 0 0 566.545 3.888 50 0 KHAARN COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)CN2c3ccccc3C(=O)C2=O)cc1OC ZINC000103550072 555443056 /nfs/dbraw/zinc/44/30/56/555443056.db2.gz RDYYEWTUEFUAQI-SSEXGKCCSA-N 0 0 608.607 3.766 50 0 KHAARN COc1cc([C@H](C(=O)Nc2ccc3c(c2)OCO3)N(Cc2cccnc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000103550189 555443428 /nfs/dbraw/zinc/44/34/28/555443428.db2.gz VVVFLMXUAIGOOE-SSEXGKCCSA-N 0 0 610.627 3.990 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4OC)NN(C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000103588357 555452126 /nfs/dbraw/zinc/45/21/26/555452126.db2.gz AMFVOBVQPAZLTE-DSNGMDLFSA-N 0 0 515.566 3.671 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(OC)ccc4OC)NN(C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000103588370 555452219 /nfs/dbraw/zinc/45/22/19/555452219.db2.gz GRGDDCPETQHNPN-UODIDJSMSA-N 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COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)ccc1O ZINC000104099297 562825089 /nfs/dbraw/zinc/82/50/89/562825089.db2.gz UBCBUPVTRIWICX-ZOBUZTSGSA-N 0 0 519.398 3.709 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)c1 ZINC000104142741 571374822 /nfs/dbraw/zinc/37/48/22/571374822.db2.gz XDQUSFYHTMYCCS-VWEWBFCZSA-N 0 0 553.571 3.658 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)c1 ZINC000104142745 571374832 /nfs/dbraw/zinc/37/48/32/571374832.db2.gz XDQUSFYHTMYCCS-WOHWVRMTSA-N 0 0 553.571 3.658 50 0 KHAARN COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N32)c1 ZINC000104142750 571374838 /nfs/dbraw/zinc/37/48/38/571374838.db2.gz XDQUSFYHTMYCCS-NXBJLNSTSA-N 0 0 553.571 3.658 50 0 KHAARN O=C(N[C@@H](NC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000104150209 571375435 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O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2COc4ccccc4O2)C3=O)C1 ZINC000104297918 571378558 /nfs/dbraw/zinc/37/85/58/571378558.db2.gz RBUZQUIRSKGBLO-FYYLOGMGSA-N 0 0 543.595 3.837 50 0 KHAARN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)cc1OC ZINC000104300300 571378754 /nfs/dbraw/zinc/37/87/54/571378754.db2.gz AVIIALQDRNSGCN-FGZHOGPDSA-N 0 0 549.668 3.833 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000104377813 571379753 /nfs/dbraw/zinc/37/97/53/571379753.db2.gz VUKZEKRTVWOOAJ-MCBFYYPASA-N 0 0 532.618 3.787 50 0 KHAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4cccc5c4C(=O)N([C@@H]4CCOC(C)(C)C4)C5=O)C3)CC2)c1 ZINC000104478250 571381131 /nfs/dbraw/zinc/38/11/31/571381131.db2.gz PLZCXDSXQGWNKN-ISKFKSNPSA-N 0 0 560.695 3.814 50 0 KHAARN COc1ccc(OC(=O)CSc2nnc(CCCCc3nnc(SCC(=O)Oc4ccc(OC)cc4)n3C)n2C)cc1 ZINC000104495951 571381267 /nfs/dbraw/zinc/38/12/67/571381267.db2.gz BWJYNLLDSOWTIT-UHFFFAOYSA-N 0 0 612.734 3.922 50 0 KHAARN CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000104539057 571381434 /nfs/dbraw/zinc/38/14/34/571381434.db2.gz ZLKHZAAHZXWPPN-UHFFFAOYSA-N 0 0 556.681 3.917 50 0 KHAARN CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCN(c6ccc(F)cc6)CC5)C4)c3C2=O)CCO1 ZINC000104546180 571381401 /nfs/dbraw/zinc/38/14/01/571381401.db2.gz SDFDJLRDHZMDAR-ZJSXRUAMSA-N 0 0 548.659 3.945 50 0 KHAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)[C@H]1C ZINC000104769734 571385863 /nfs/dbraw/zinc/38/58/63/571385863.db2.gz XWBFSZWSQLPRDZ-TYBLODHISA-N 0 0 554.688 3.592 50 0 KHAARN C[C@@H]1CCC[C@H](NC(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)[C@H]1C ZINC000104769736 571385865 /nfs/dbraw/zinc/38/58/65/571385865.db2.gz XWBFSZWSQLPRDZ-CZSZKKDXSA-N 0 0 554.688 3.592 50 0 KHAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(=O)OC)cc4)NN(C(=O)c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000104784430 571386134 /nfs/dbraw/zinc/38/61/34/571386134.db2.gz JJKHRUMLKKOJSF-TZRRMPRUSA-N 0 0 578.419 3.894 50 0 KHAARN COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(OC)c(OC)c3OC)NN(C(=O)c3cccc(Br)c3)[C@H]2C1=O ZINC000104784483 571386165 /nfs/dbraw/zinc/38/61/65/571386165.db2.gz LYDQTRGNAUVGPG-XPWALMASSA-N 0 0 596.434 3.743 50 0 KHAARN COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)N(C(=O)c1cccc(Br)c1)N[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000104784487 571386182 /nfs/dbraw/zinc/38/61/82/571386182.db2.gz LYDQTRGNAUVGPG-DNVJHFABSA-N 0 0 596.434 3.743 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC(=O)NC13CC4CC(CC(C4)C1)C3)n2CC ZINC000104820952 571386452 /nfs/dbraw/zinc/38/64/52/571386452.db2.gz ODRVMOXWWMNYRK-UHFFFAOYSA-N 0 0 547.747 3.973 50 0 KHAARN C[C@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000104826475 571386662 /nfs/dbraw/zinc/38/66/62/571386662.db2.gz HFWJTCKWILAVLA-CBKZDSQWSA-N 0 0 545.702 3.885 50 0 KHAARN C[C@@H](NS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000104826477 571386663 /nfs/dbraw/zinc/38/66/63/571386663.db2.gz HFWJTCKWILAVLA-DKODJIDWSA-N 0 0 545.702 3.885 50 0 KHAARN COc1ccccc1N1CCN(C(=O)NCCCCCCNC(=O)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000104884157 571387148 /nfs/dbraw/zinc/38/71/48/571387148.db2.gz YXFLFJBBZMNGTH-UHFFFAOYSA-N 0 0 552.720 3.628 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H](C)C2)C(C)C)c(OC)c1 ZINC000104901020 571387183 /nfs/dbraw/zinc/38/71/83/571387183.db2.gz SHQNLPSJITZTAW-DFIYOIEZSA-N 0 0 503.684 3.980 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H](C)C2)C(C)C)c(OC)c1 ZINC000104901024 571387193 /nfs/dbraw/zinc/38/71/93/571387193.db2.gz SHQNLPSJITZTAW-RLSLOFABSA-N 0 0 503.684 3.980 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919483 571387576 /nfs/dbraw/zinc/38/75/76/571387576.db2.gz RRAYKOGQUHMMIC-AOYPEHQESA-N 0 0 534.598 3.546 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000104919485 571387458 /nfs/dbraw/zinc/38/74/58/571387458.db2.gz RRAYKOGQUHMMIC-AZGAKELHSA-N 0 0 534.598 3.546 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104920150 571387697 /nfs/dbraw/zinc/38/76/97/571387697.db2.gz CRAICDOTRHTUCC-ILBGXUMGSA-N 0 0 520.571 3.551 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104920153 571387855 /nfs/dbraw/zinc/38/78/55/571387855.db2.gz CRAICDOTRHTUCC-UKILVPOCSA-N 0 0 520.571 3.551 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920295 571387773 /nfs/dbraw/zinc/38/77/73/571387773.db2.gz NWMYAFMNUIMEJZ-PXDATVDWSA-N 0 0 520.571 3.551 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920298 571387834 /nfs/dbraw/zinc/38/78/34/571387834.db2.gz NWMYAFMNUIMEJZ-SQJMNOBHSA-N 0 0 520.571 3.551 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000104937732 571388051 /nfs/dbraw/zinc/38/80/51/571388051.db2.gz RGAGOTGBSQIBJW-KSFYIVLOSA-N 0 0 534.535 3.658 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104937769 571387961 /nfs/dbraw/zinc/38/79/61/571387961.db2.gz STLKBLVUHXORRE-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104937819 571388109 /nfs/dbraw/zinc/38/81/09/571388109.db2.gz CGUCCRHTDNPSAD-RXFWQSSRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104937830 571388113 /nfs/dbraw/zinc/38/81/13/571388113.db2.gz UNWUZLGGQPFFRK-AFMDSPMNSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000104938061 571388151 /nfs/dbraw/zinc/38/81/51/571388151.db2.gz QRXSGDSMVKAXFQ-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104938176 571388127 /nfs/dbraw/zinc/38/81/27/571388127.db2.gz CRUGGRBSJMSYLZ-GAJHUEQPSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104938182 571388120 /nfs/dbraw/zinc/38/81/20/571388120.db2.gz ZJRHTALOABOZLZ-AFMDSPMNSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000104938497 571388161 /nfs/dbraw/zinc/38/81/61/571388161.db2.gz JVMMQTLCTNWQCR-HFJWLAOPSA-N 0 0 571.074 3.717 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000104938658 571388163 /nfs/dbraw/zinc/38/81/63/571388163.db2.gz RYDAWHWPRYDOMS-AVRWGWEMSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000104938675 571388099 /nfs/dbraw/zinc/38/80/99/571388099.db2.gz PJHUWHWTEWUMMR-RXFWQSSRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000104938684 571388135 /nfs/dbraw/zinc/38/81/35/571388135.db2.gz RCJOEHPGYHOPPZ-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000104938702 571388102 /nfs/dbraw/zinc/38/81/02/571388102.db2.gz CSSUYCJTSSXALT-HFZDXXHNSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104938749 571388147 /nfs/dbraw/zinc/38/81/47/571388147.db2.gz GJGWDLQZWIKHJN-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000104938847 571388095 /nfs/dbraw/zinc/38/80/95/571388095.db2.gz ZBRXFLOGPBAYAQ-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000104938924 571388100 /nfs/dbraw/zinc/38/81/00/571388100.db2.gz FPPGFGVETUGNCK-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104938939 571388110 /nfs/dbraw/zinc/38/81/10/571388110.db2.gz QXRIWMYUJFUNFR-UQBPGWFLSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000104939050 571388119 /nfs/dbraw/zinc/38/81/19/571388119.db2.gz XTCBJLZDVNDLPF-UQBPGWFLSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000104939263 571388111 /nfs/dbraw/zinc/38/81/11/571388111.db2.gz BQJMCIAUBYXJFV-KSFYIVLOSA-N 0 0 517.051 3.761 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000104939275 571388104 /nfs/dbraw/zinc/38/81/04/571388104.db2.gz KCYLVXMGUUCMJL-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104939307 571388141 /nfs/dbraw/zinc/38/81/41/571388141.db2.gz AAOYMORAPRYKSM-RXFWQSSRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000104939498 571388157 /nfs/dbraw/zinc/38/81/57/571388157.db2.gz NLKAFOJVMMGFGG-AVRWGWEMSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000104939605 571388106 /nfs/dbraw/zinc/38/81/06/571388106.db2.gz DLIIUUGTTIJCNV-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104939746 571388108 /nfs/dbraw/zinc/38/81/08/571388108.db2.gz BXXCVQFILWJTSC-AVRWGWEMSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000104939942 571388220 /nfs/dbraw/zinc/38/82/20/571388220.db2.gz QJKRNRHIMQECOB-AVRWGWEMSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000104939969 571388262 /nfs/dbraw/zinc/38/82/62/571388262.db2.gz WTZGBRQEFSNNFY-MHECFPHRSA-N 0 0 511.022 3.700 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104940368 571388245 /nfs/dbraw/zinc/38/82/45/571388245.db2.gz WDPXZRRTVWSCFZ-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000104940521 571388238 /nfs/dbraw/zinc/38/82/38/571388238.db2.gz HJECSDSVACHRCZ-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1F ZINC000104940562 571388235 /nfs/dbraw/zinc/38/82/35/571388235.db2.gz HVUVVSBXIKDVTF-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000104940707 571388206 /nfs/dbraw/zinc/38/82/06/571388206.db2.gz CATGEHRZMNFBSG-HFZDXXHNSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000104941011 571388240 /nfs/dbraw/zinc/38/82/40/571388240.db2.gz WUIZKJYFRBPTQG-NBGIEHNGSA-N 0 0 505.619 3.747 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000104941174 571388225 /nfs/dbraw/zinc/38/82/25/571388225.db2.gz CBCPUWQXQINEAC-MHECFPHRSA-N 0 0 509.582 3.577 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000104941484 571388260 /nfs/dbraw/zinc/38/82/60/571388260.db2.gz DUYMOLYRMFIBEV-BXKMTCNYSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104941560 571388270 /nfs/dbraw/zinc/38/82/70/571388270.db2.gz OXSBITNZDYFCAR-UQBPGWFLSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000104941621 571388272 /nfs/dbraw/zinc/38/82/72/571388272.db2.gz MGBAVJJXWVEQFF-HTAPYJJXSA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000104941688 571388253 /nfs/dbraw/zinc/38/82/53/571388253.db2.gz RHHUKCFGVYPLAL-RXFWQSSRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000104942049 571388249 /nfs/dbraw/zinc/38/82/49/571388249.db2.gz CXXPSOHLGGQARF-HFZDXXHNSA-N 0 0 504.631 3.745 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000104943377 571388315 /nfs/dbraw/zinc/38/83/15/571388315.db2.gz QTNDEQNNRDKWJH-HFJWLAOPSA-N 0 0 571.074 3.717 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000104943416 571388316 /nfs/dbraw/zinc/38/83/16/571388316.db2.gz QYJOOUUALYZXJC-KDYSTLNUSA-N 0 0 534.657 3.672 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000104943824 571388327 /nfs/dbraw/zinc/38/83/27/571388327.db2.gz GSGMYNJMXRIIIN-HFZDXXHNSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000104943919 571388331 /nfs/dbraw/zinc/38/83/31/571388331.db2.gz AMJRIHUESCDABA-KSFYIVLOSA-N 0 0 522.568 3.552 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000104943926 571388310 /nfs/dbraw/zinc/38/83/10/571388310.db2.gz UHONQCRPAOVSQI-OYHNWAKOSA-N 0 0 535.428 3.946 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000104943937 571388348 /nfs/dbraw/zinc/38/83/48/571388348.db2.gz YKMXZANWTZLVPT-YCRPNKLZSA-N 0 0 511.450 3.695 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000104944010 571388352 /nfs/dbraw/zinc/38/83/52/571388352.db2.gz BXXGLHHKYSFQQR-YCRPNKLZSA-N 0 0 526.465 3.631 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000104944018 571388317 /nfs/dbraw/zinc/38/83/17/571388317.db2.gz KEZWIEVPXFKYQJ-YADARESESA-N 0 0 513.683 3.838 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000104944042 571388356 /nfs/dbraw/zinc/38/83/56/571388356.db2.gz GBBQPSPGLTWFJR-RXFWQSSRSA-N 0 0 522.621 3.802 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000104944200 571388341 /nfs/dbraw/zinc/38/83/41/571388341.db2.gz WVCGKUSDLRLSQY-YCRPNKLZSA-N 0 0 526.465 3.631 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000104944685 571388321 /nfs/dbraw/zinc/38/83/21/571388321.db2.gz PQPCOCFFFPYUGI-MHECFPHRSA-N 0 0 526.659 3.507 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000104944981 571388443 /nfs/dbraw/zinc/38/84/43/571388443.db2.gz HYCOVOBKRQXWHQ-HTAPYJJXSA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000104945721 571388483 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KHAARN COc1ccc(CCN2C(=O)c3cccc(N4CCN(C(=O)c5cc6ccccc6oc5=O)CC4)c3C2=O)cc1OC ZINC000105700133 1066513653 /nfs/dbraw/zinc/51/36/53/1066513653.db2.gz NNJCMJOQPTXYGO-UHFFFAOYSA-N 0 0 567.598 3.611 50 0 KHAARN CC12C(c3ccccc3)=C(c3ccccc3)C([C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]31)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000105790650 571408603 /nfs/dbraw/zinc/40/86/03/571408603.db2.gz YEWQGSQPRAETAP-FDMAFZMESA-N 0 0 580.681 3.808 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3ccc(Br)cc3F)C1)O[C@@H](C)C(=O)N2 ZINC000105845678 571409062 /nfs/dbraw/zinc/40/90/62/571409062.db2.gz VFAAGNIEKCHGOZ-UONOGXRCSA-N 0 0 540.411 3.655 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3ccc(Br)cc3F)C1)O[C@@H](C)C(=O)N2 ZINC000105845679 571409064 /nfs/dbraw/zinc/40/90/64/571409064.db2.gz VFAAGNIEKCHGOZ-KBPBESRZSA-N 0 0 540.411 3.655 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc3cccc(Br)c3)C1)O[C@@H](C)C(=O)N2 ZINC000105845803 571409057 /nfs/dbraw/zinc/40/90/57/571409057.db2.gz USORLUOKPHEXSH-LSDHHAIUSA-N 0 0 522.421 3.516 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc3cccc(Br)c3)C1)O[C@@H](C)C(=O)N2 ZINC000105845806 571409050 /nfs/dbraw/zinc/40/90/50/571409050.db2.gz USORLUOKPHEXSH-GJZGRUSLSA-N 0 0 522.421 3.516 50 0 KHAARN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)ccc1O ZINC000105851928 562825425 /nfs/dbraw/zinc/82/54/25/562825425.db2.gz UBCBUPVTRIWICX-YQQAZPJKSA-N 0 0 519.398 3.709 50 0 KHAARN O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000105969064 571409574 /nfs/dbraw/zinc/40/95/74/571409574.db2.gz IEDIHXRSQNICPU-KSEXSDGBSA-N 0 0 532.578 3.667 50 0 KHAARN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(Br)cc1O ZINC000105981573 571409786 /nfs/dbraw/zinc/40/97/86/571409786.db2.gz XECICLCNZWCTBD-JAIQZWGSSA-N 0 0 548.415 3.675 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnc(C)o4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000105982883 571409928 /nfs/dbraw/zinc/40/99/28/571409928.db2.gz RPLNDERCZFVOKA-LPRAYXGFSA-N 0 0 536.635 3.967 50 0 KHAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnc(C)o4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000105982884 571409936 /nfs/dbraw/zinc/40/99/36/571409936.db2.gz RPLNDERCZFVOKA-BHSBJAHRSA-N 0 0 536.635 3.967 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1F ZINC000106005666 571410209 /nfs/dbraw/zinc/41/02/09/571410209.db2.gz OXPIDSKCJUZHNY-GAJHUEQPSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000106005970 571410239 /nfs/dbraw/zinc/41/02/39/571410239.db2.gz QNEVSRLDXYVLJQ-UQBPGWFLSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000106006761 571410222 /nfs/dbraw/zinc/41/02/22/571410222.db2.gz FEPGSYVHOPFJFK-RXFWQSSRSA-N 0 0 535.645 3.837 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000106049464 1066536203 /nfs/dbraw/zinc/53/62/03/1066536203.db2.gz HCLGCTHYKKVADM-SARUNTBLSA-N 0 0 531.428 3.941 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000106049467 1066536228 /nfs/dbraw/zinc/53/62/28/1066536228.db2.gz HCLGCTHYKKVADM-CNEDASOKSA-N 0 0 531.428 3.941 50 0 KHAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C(=C\c1cccs1)c1cccs1 ZINC000106095973 1066536274 /nfs/dbraw/zinc/53/62/74/1066536274.db2.gz JSGNLIULDAOULK-RGEXLXHISA-N 0 0 548.664 3.562 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106304062 571411890 /nfs/dbraw/zinc/41/18/90/571411890.db2.gz IZELODLTQRJQPI-REWPJTCUSA-N 0 0 525.671 3.596 50 0 KHAARN COc1cc(/C=C\C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000106528888 1066536830 /nfs/dbraw/zinc/53/68/30/1066536830.db2.gz SJNKEQPBLSPNIQ-KHPPLWFESA-N 0 0 567.576 3.559 50 0 KHAARN COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000106536387 571412849 /nfs/dbraw/zinc/41/28/49/571412849.db2.gz KVJDWPTYZIFSHS-FICKONGGSA-N 0 0 509.562 3.854 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000106594690 571413037 /nfs/dbraw/zinc/41/30/37/571413037.db2.gz OCPPCBXFXGYMTP-HRAATJIYSA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000106594694 571413017 /nfs/dbraw/zinc/41/30/17/571413017.db2.gz DAAURVWFMIAGOI-MHECFPHRSA-N 0 0 509.582 3.577 50 0 KHAARN CCOc1c(I)cc(C=C2SC(=O)NC2=O)cc1I ZINC000106692273 571413997 /nfs/dbraw/zinc/41/39/97/571413997.db2.gz UEIFSEMILBGLEJ-UITAMQMPSA-N 0 0 501.083 3.618 50 0 KHAARN Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000107177375 571419779 /nfs/dbraw/zinc/41/97/79/571419779.db2.gz URJKLHVZISVBLJ-ORQYLMBXSA-N 0 0 500.780 3.842 50 0 KHAARN Cc1ccc(C(OC[C@H]2O[C@@H](n3cc(Br)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000108447322 571423636 /nfs/dbraw/zinc/42/36/36/571423636.db2.gz SKUBMCFJEDLPSK-LTGLEFCMSA-N 0 0 607.501 3.852 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3cccc(NC(C)=O)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447389 571423623 /nfs/dbraw/zinc/42/36/23/571423623.db2.gz GFEATYLGHVXVED-DEOSSOPVSA-N 0 0 574.634 3.872 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc(Cn4cncn4)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447400 571423578 /nfs/dbraw/zinc/42/35/78/571423578.db2.gz MMHYFUCPZMXUBA-VWLOTQADSA-N 0 0 598.660 3.553 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447403 571423768 /nfs/dbraw/zinc/42/37/68/571423768.db2.gz HTNBHYVJVSOPRP-JTSKRJEESA-N 0 0 585.661 3.856 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCC3CCOCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447409 571423803 /nfs/dbraw/zinc/42/38/03/571423803.db2.gz HXASPVKQSIRKEJ-OUTSHDOLSA-N 0 0 581.710 3.842 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447450 571423742 /nfs/dbraw/zinc/42/37/42/571423742.db2.gz BHODZQAOSUAUGG-DEOSSOPVSA-N 0 0 624.735 3.791 50 0 biogenic KHAARN COCc1nnc(NC(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)s1 ZINC000108447453 571423772 /nfs/dbraw/zinc/42/37/72/571423772.db2.gz AIRCRPZBTIMBSA-FQEVSTJZSA-N 0 0 597.694 3.692 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCCOC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447478 571423761 /nfs/dbraw/zinc/42/37/61/571423761.db2.gz DAWRLKNRIOIVCW-MBSDFSHPSA-N 0 0 555.672 3.595 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447519 571423740 /nfs/dbraw/zinc/42/37/40/571423740.db2.gz KURPDORKXWBTDI-SANMLTNESA-N 0 0 615.731 3.799 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447595 571423765 /nfs/dbraw/zinc/42/37/65/571423765.db2.gz DUCFLEQGLHSAPU-CYFREDJKSA-N 0 0 624.735 3.743 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447611 571423777 /nfs/dbraw/zinc/42/37/77/571423777.db2.gz FZYHNOKJUJWBQL-DEOSSOPVSA-N 0 0 560.651 3.767 50 0 biogenic KHAARN COc1ccc(NC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1 ZINC000108447770 571423911 /nfs/dbraw/zinc/42/39/11/571423911.db2.gz JFYVCENIBNUHRT-AOMKIAJQSA-N 0 0 562.623 3.706 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc(C)c(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447849 571423858 /nfs/dbraw/zinc/42/38/58/571423858.db2.gz AHABSBHGYDQTAX-FQEVSTJZSA-N 0 0 552.653 3.987 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccn(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447896 571423960 /nfs/dbraw/zinc/42/39/60/571423960.db2.gz YVWWKKLSCMFTFY-GMAHTHKFSA-N 0 0 595.722 3.769 50 0 biogenic KHAARN COc1cccc(N2CCN(C(=O)CNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)c1 ZINC000108447902 571423891 /nfs/dbraw/zinc/42/38/91/571423891.db2.gz JBXJAKDSSOSTKE-MHZLTWQESA-N 0 0 616.715 3.632 50 0 biogenic KHAARN CCOC(=O)c1sc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)nc1C ZINC000108447984 571423867 /nfs/dbraw/zinc/42/38/67/571423867.db2.gz AMWMCBBFXVMJLC-FQEVSTJZSA-N 0 0 610.689 3.855 50 0 biogenic KHAARN COc1cccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 ZINC000108448104 571424093 /nfs/dbraw/zinc/42/40/93/571424093.db2.gz OIQXVFJZYQYGRF-QHCPKHFHSA-N 0 0 547.608 3.922 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3cc(C)n(C)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448130 571424055 /nfs/dbraw/zinc/42/40/55/571424055.db2.gz KDFKQSBLMUFWCX-DWACAAAGSA-N 0 0 577.682 3.980 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448152 571424016 /nfs/dbraw/zinc/42/40/16/571424016.db2.gz BERLEHMIMQJYOV-QHCPKHFHSA-N 0 0 549.624 3.965 50 0 biogenic KHAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC1CC1 ZINC000108448202 571424059 /nfs/dbraw/zinc/42/40/59/571424059.db2.gz HEZOOPPGOJHITB-AIPAAETGSA-N 0 0 537.657 3.968 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448211 571424009 /nfs/dbraw/zinc/42/40/09/571424009.db2.gz IKWIWPHIOMXEKT-MBSDFSHPSA-N 0 0 599.688 3.899 50 0 biogenic KHAARN COc1cc2c(cc1OC)CN(C(=O)CNc1ccc3c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-3)CC2 ZINC000108448250 571424053 /nfs/dbraw/zinc/42/40/53/571424053.db2.gz JEJADOLIAFYDBX-VWLOTQADSA-N 0 0 617.699 3.877 50 0 biogenic KHAARN COc1cc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc(OC)c1OC ZINC000108448294 571424218 /nfs/dbraw/zinc/42/42/18/571424218.db2.gz JGBRATIZSBJSNE-QFIPXVFZSA-N 0 0 607.660 3.939 50 0 biogenic KHAARN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCOCC1 ZINC000108448318 571424191 /nfs/dbraw/zinc/42/41/91/571424191.db2.gz PDMUGAFSUVGBBZ-CLAHJSNCSA-N 0 0 567.683 3.548 50 0 biogenic KHAARN COc1ccc(CNC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108448335 571424262 /nfs/dbraw/zinc/42/42/62/571424262.db2.gz MAHXDBMKDZEIKY-DEOSSOPVSA-N 0 0 561.635 3.600 50 0 biogenic KHAARN COc1ccccc1CNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108448347 571424264 /nfs/dbraw/zinc/42/42/64/571424264.db2.gz ATZUGWFQRHFWPD-UUOWRZLLSA-N 0 0 575.662 3.988 50 0 biogenic KHAARN COc1ccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c(OC)c1 ZINC000108448386 571424244 /nfs/dbraw/zinc/42/42/44/571424244.db2.gz DELLPRZTPUKDNB-QFIPXVFZSA-N 0 0 577.634 3.931 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448442 571424301 /nfs/dbraw/zinc/42/43/01/571424301.db2.gz ZKWZTUNWDUTGLR-DEOSSOPVSA-N 0 0 567.683 3.694 50 0 biogenic KHAARN COc1ccccc1CNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108448525 571424288 /nfs/dbraw/zinc/42/42/88/571424288.db2.gz AWBPSJOYRSICGG-QHCPKHFHSA-N 0 0 561.635 3.600 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448550 571424370 /nfs/dbraw/zinc/42/43/70/571424370.db2.gz QMNAQJCDSOGDRO-DEOSSOPVSA-N 0 0 545.636 3.634 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCC3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448554 571424369 /nfs/dbraw/zinc/42/43/69/571424369.db2.gz MXXQGETYWFFSPI-DEOSSOPVSA-N 0 0 567.683 3.598 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCOC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448561 571424364 /nfs/dbraw/zinc/42/43/64/571424364.db2.gz PGYVSODQVBCUTN-DEOSSOPVSA-N 0 0 569.699 3.986 50 0 biogenic KHAARN COCCCNC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108448567 571424383 /nfs/dbraw/zinc/42/43/83/571424383.db2.gz SUWAAFUACJNYIL-DEOSSOPVSA-N 0 0 569.699 3.988 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448574 571424408 /nfs/dbraw/zinc/42/44/08/571424408.db2.gz DDURPBCHVIMFCL-MHZLTWQESA-N 0 0 624.779 3.674 50 0 biogenic KHAARN COc1ccccc1CCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108448602 571424354 /nfs/dbraw/zinc/42/43/54/571424354.db2.gz KCEWCFRXWDQOBL-DEOSSOPVSA-N 0 0 575.662 3.642 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448616 571424379 /nfs/dbraw/zinc/42/43/79/571424379.db2.gz VFFGQQZCIHBJFT-VWLOTQADSA-N 0 0 632.714 3.633 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccn(C)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448653 571424387 /nfs/dbraw/zinc/42/43/87/571424387.db2.gz FPAIEOONLLTZQU-IDISGSTGSA-N 0 0 563.655 3.672 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448761 571424374 /nfs/dbraw/zinc/42/43/74/571424374.db2.gz MNQBYNSAIJDNJE-CYFREDJKSA-N 0 0 613.715 3.909 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448765 571424384 /nfs/dbraw/zinc/42/43/84/571424384.db2.gz BMRKVJFXPQOHHZ-XCZPVHLTSA-N 0 0 624.779 3.528 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCSCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448832 571424506 /nfs/dbraw/zinc/42/45/06/571424506.db2.gz WRVNQOQBAGEAIM-CUNXSJBXSA-N 0 0 569.724 3.875 50 0 biogenic KHAARN COc1ccccc1N1CCN(C(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000108448891 571424579 /nfs/dbraw/zinc/42/45/79/571424579.db2.gz HTYMMLFMQWFAFA-VWLOTQADSA-N 0 0 616.715 3.632 50 0 biogenic KHAARN COc1ccc(CNC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108448951 193923282 /nfs/dbraw/zinc/92/32/82/193923282.db2.gz VDPVILOJUMHYEC-BVZFJXPGSA-N 0 0 575.662 3.988 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449051 571424577 /nfs/dbraw/zinc/42/45/77/571424577.db2.gz IUTRPJIWKLWQJJ-MBSDFSHPSA-N 0 0 599.688 3.867 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449264 571424682 /nfs/dbraw/zinc/42/46/82/571424682.db2.gz WCXUPSIKAZMNQJ-SANMLTNESA-N 0 0 586.689 3.624 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3cnn(C)c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449267 571424668 /nfs/dbraw/zinc/42/46/68/571424668.db2.gz YMPPTGOPNSUSIE-CUNXSJBXSA-N 0 0 563.655 3.672 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nc(C)cs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449362 571424672 /nfs/dbraw/zinc/42/46/72/571424672.db2.gz SACPWOWKQDUMLL-IBGZPJMESA-N 0 0 538.626 3.679 50 0 biogenic KHAARN COc1ccccc1OCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449380 571424687 /nfs/dbraw/zinc/42/46/87/571424687.db2.gz JSYBSCYBFUCPFU-CYFREDJKSA-N 0 0 605.688 3.867 50 0 biogenic KHAARN COc1ccc(CCNC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108449396 571424664 /nfs/dbraw/zinc/42/46/64/571424664.db2.gz WDISPTSTIMTQEG-VWLOTQADSA-N 0 0 575.662 3.642 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(CCc4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449478 571424856 /nfs/dbraw/zinc/42/48/56/571424856.db2.gz ZZRVREWLGYNNTC-LJAQVGFWSA-N 0 0 643.785 3.837 50 0 biogenic KHAARN COc1ccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108449501 193924556 /nfs/dbraw/zinc/92/45/56/193924556.db2.gz UFDVMGIBSFTOKZ-QHCPKHFHSA-N 0 0 547.608 3.922 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449538 193924523 /nfs/dbraw/zinc/92/45/23/193924523.db2.gz PFKBPQJXJHUKLJ-DEOSSOPVSA-N 0 0 574.634 3.872 50 0 biogenic KHAARN COCc1nnc(NC(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)s1 ZINC000108449545 571424911 /nfs/dbraw/zinc/42/49/11/571424911.db2.gz HHSOSLBNTSTUPQ-FNZWTVRRSA-N 0 0 611.721 3.936 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3cccnc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449572 571424910 /nfs/dbraw/zinc/42/49/10/571424910.db2.gz NJYYWWVUFVZXIK-DEOSSOPVSA-N 0 0 560.651 3.767 50 0 biogenic KHAARN COC(=O)c1ccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1 ZINC000108449629 571424813 /nfs/dbraw/zinc/42/48/13/571424813.db2.gz OPHBOUMTCHKHCX-QHCPKHFHSA-N 0 0 575.618 3.700 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3cccn3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449665 193924345 /nfs/dbraw/zinc/92/43/45/193924345.db2.gz ZZCOZPYOUCEOBK-DEOSSOPVSA-N 0 0 562.667 3.710 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449691 571424873 /nfs/dbraw/zinc/42/48/73/571424873.db2.gz MEWLXKRAPPNILA-AOMKIAJQSA-N 0 0 535.597 3.573 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3cnn(C)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449723 571424789 /nfs/dbraw/zinc/42/47/89/571424789.db2.gz FZPKHDKKRDWDOV-UPVQGACJSA-N 0 0 595.722 3.769 50 0 biogenic KHAARN COc1ccccc1NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449732 193925040 /nfs/dbraw/zinc/92/50/40/193925040.db2.gz PONMVXVKAIHJJQ-NRFANRHFSA-N 0 0 547.608 3.922 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449775 571425042 /nfs/dbraw/zinc/42/50/42/571425042.db2.gz JSIRWDYHBDRQHP-GMAHTHKFSA-N 0 0 555.697 3.675 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449870 571424974 /nfs/dbraw/zinc/42/49/74/571424974.db2.gz BUZQBMXPPMRXOL-QFIPXVFZSA-N 0 0 563.655 3.736 50 0 biogenic KHAARN COc1ccc(OC)c(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1 ZINC000108449884 571424982 /nfs/dbraw/zinc/42/49/82/571424982.db2.gz SANSUADMWSXEKR-QFIPXVFZSA-N 0 0 577.634 3.931 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3ccccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449942 571424975 /nfs/dbraw/zinc/42/49/75/571424975.db2.gz GZMQYTBJBMUHSV-VWLOTQADSA-N 0 0 574.678 3.809 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449953 193924874 /nfs/dbraw/zinc/92/48/74/193924874.db2.gz GPNPCZDZKYKQES-UPVQGACJSA-N 0 0 601.791 3.972 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450122 571425227 /nfs/dbraw/zinc/42/52/27/571425227.db2.gz FLNBKMHGUAZSPH-VWLOTQADSA-N 0 0 628.730 3.847 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N(C)Cc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450229 193925742 /nfs/dbraw/zinc/92/57/42/193925742.db2.gz PMYKWPMREPTLRA-DEOSSOPVSA-N 0 0 545.636 3.934 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ncc(C)s3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450384 193925679 /nfs/dbraw/zinc/92/56/79/193925679.db2.gz SDJRSNTYSZLNQI-IBGZPJMESA-N 0 0 538.626 3.679 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4c(c3)OCCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450441 193925829 /nfs/dbraw/zinc/92/58/29/193925829.db2.gz QRDUCIRTJKZVMI-QFIPXVFZSA-N 0 0 575.618 3.685 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450576 193926351 /nfs/dbraw/zinc/92/63/51/193926351.db2.gz ZHBHDSZRQFASLO-QFIPXVFZSA-N 0 0 555.697 3.631 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3ccncc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450596 571425333 /nfs/dbraw/zinc/42/53/33/571425333.db2.gz UIAQLKQZKAPYAZ-VWLOTQADSA-N 0 0 574.678 3.809 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450603 571425375 /nfs/dbraw/zinc/42/53/75/571425375.db2.gz BPMKRSUQPDPYDC-MHZLTWQESA-N 0 0 600.716 3.619 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450613 193926367 /nfs/dbraw/zinc/92/63/67/193926367.db2.gz CJQNIKSPKTXIOK-SVEHJYQDSA-N 0 0 587.673 3.875 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCO[C@@H](c4ccccc4)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450615 571425275 /nfs/dbraw/zinc/42/52/75/571425275.db2.gz CJQNIKSPKTXIOK-ABYGYWHVSA-N 0 0 587.673 3.875 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450742 193926044 /nfs/dbraw/zinc/92/60/44/193926044.db2.gz HGFCNRSDVVCROA-NRFANRHFSA-N 0 0 561.591 3.642 50 0 biogenic KHAARN COc1ccc(CCNC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1OC ZINC000108450776 571425363 /nfs/dbraw/zinc/42/53/63/571425363.db2.gz QUYJPAWZAYRNPP-DEOSSOPVSA-N 0 0 605.688 3.651 50 0 biogenic KHAARN COCCNC(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450810 193926830 /nfs/dbraw/zinc/92/68/30/193926830.db2.gz BAXUFZZDKHXVAY-QHCPKHFHSA-N 0 0 555.672 3.598 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450833 571425496 /nfs/dbraw/zinc/42/54/96/571425496.db2.gz DKZHHEDHFCOKTA-FIPFOOKPSA-N 0 0 626.751 3.940 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](C)c3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450912 571425492 /nfs/dbraw/zinc/42/54/92/571425492.db2.gz HRTPKMAOXUMRLH-CYFREDJKSA-N 0 0 614.703 3.975 50 0 biogenic KHAARN COC(=O)CC1CCN(C(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000108451077 571425466 /nfs/dbraw/zinc/42/54/66/571425466.db2.gz HHVOSSUQOOIBSU-VWLOTQADSA-N 0 0 609.720 3.857 50 0 biogenic KHAARN CCOC(=O)N1CCN(C(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)C(C)C)CC1 ZINC000108451089 571425471 /nfs/dbraw/zinc/42/54/71/571425471.db2.gz FELJEEHPNPAKCJ-OUTSHDOLSA-N 0 0 624.735 3.600 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451120 571425653 /nfs/dbraw/zinc/42/56/53/571425653.db2.gz AYWVEQHGNDLQJU-UPVQGACJSA-N 0 0 537.657 3.968 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451125 571425684 /nfs/dbraw/zinc/42/56/84/571425684.db2.gz NYHDOXVDVRMIAJ-UUOWRZLLSA-N 0 0 545.636 3.980 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(CCc4ccncc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451137 571425649 /nfs/dbraw/zinc/42/56/49/571425649.db2.gz WNEJFIBMSCCHBS-LJAQVGFWSA-N 0 0 643.785 3.837 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451263 571425645 /nfs/dbraw/zinc/42/56/45/571425645.db2.gz DCFBVCWSLWDAMM-LIRRHRJNSA-N 0 0 538.626 3.759 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451295 193927078 /nfs/dbraw/zinc/92/70/78/193927078.db2.gz FMUJDQBVAXXOSZ-GMAHTHKFSA-N 0 0 557.713 3.921 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451353 193927337 /nfs/dbraw/zinc/92/73/37/193927337.db2.gz FQMZMMLPXKWZAA-ZCYQVOJMSA-N 0 0 567.683 3.548 50 0 biogenic KHAARN CCOC(=O)N1CCN(C(=O)[C@@H](Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)[C@H](C)CC)CC1 ZINC000108451369 571425704 /nfs/dbraw/zinc/42/57/04/571425704.db2.gz QEZSASJEJKJCHL-MOXKEGGMSA-N 0 0 638.762 3.990 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCc3c[nH]cn3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451429 571425694 /nfs/dbraw/zinc/42/56/94/571425694.db2.gz HUVVCDSXAIPWRF-AHWVRZQESA-N 0 0 591.709 3.772 50 0 biogenic KHAARN COc1ccc(CNC(=O)[C@H](C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1OC ZINC000108451467 571425614 /nfs/dbraw/zinc/42/56/14/571425614.db2.gz BTJKBYNFKROEEG-UUOWRZLLSA-N 0 0 605.688 3.997 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451485 193927842 /nfs/dbraw/zinc/92/78/42/193927842.db2.gz NKHUJRBMHJNLBC-SBUREZEXSA-N 0 0 549.624 3.615 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451561 571425858 /nfs/dbraw/zinc/42/58/58/571425858.db2.gz ROSUMYMHZWPPMV-SBUREZEXSA-N 0 0 589.645 3.709 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCC3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451583 571425803 /nfs/dbraw/zinc/42/58/03/571425803.db2.gz WRFPQGVXIVYYND-AHWVRZQESA-N 0 0 613.777 3.939 50 0 biogenic KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451613 571425779 /nfs/dbraw/zinc/42/57/79/571425779.db2.gz KQQOJZLJDLIGMH-QFIPXVFZSA-N 0 0 580.707 3.871 50 0 biogenic KHAARN CC(=O)OC1[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)C(OC(C)=O)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000108723379 571426486 /nfs/dbraw/zinc/42/64/86/571426486.db2.gz OVLXKRHSADOGDV-CLGXJXAXSA-N 0 0 600.702 3.695 50 0 KHAARN COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C\c3cccs3)NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000108766426 571426473 /nfs/dbraw/zinc/42/64/73/571426473.db2.gz ZQEDWROWPYWTBE-RCCKNPSSSA-N 0 0 565.633 3.766 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C1=O)CCCC2 ZINC000108849284 571426873 /nfs/dbraw/zinc/42/68/73/571426873.db2.gz OYBHVVMQONKMDM-MPEQGZPJSA-N 0 0 547.674 3.811 50 0 KHAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C1=O)CCCC2 ZINC000108849290 571426833 /nfs/dbraw/zinc/42/68/33/571426833.db2.gz OYBHVVMQONKMDM-IHULAWBXSA-N 0 0 547.674 3.811 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000108893133 571427452 /nfs/dbraw/zinc/42/74/52/571427452.db2.gz VJVAQHDVSLTFLC-VQTJNVASSA-N 0 0 549.715 3.931 50 0 KHAARN C[C@H](c1ccccc1)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2C[C@@H](C)O[C@@H](C)C2)c1=S ZINC000108927554 571427617 /nfs/dbraw/zinc/42/76/17/571427617.db2.gz YTVMVAKZOSDDHM-BHIFYINESA-N 0 0 557.742 3.778 50 0 KHAARN C[C@H](c1ccccc1)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nn(CN2C[C@@H](C)O[C@H](C)C2)c1=S ZINC000108927558 571427619 /nfs/dbraw/zinc/42/76/19/571427619.db2.gz YTVMVAKZOSDDHM-YPAWHYETSA-N 0 0 557.742 3.778 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000109250521 1066189635 /nfs/dbraw/zinc/18/96/35/1066189635.db2.gz XLXZHWVDVTYQRH-RWTNITNYSA-N 0 0 543.041 3.868 50 0 KHAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000109250525 1066189589 /nfs/dbraw/zinc/18/95/89/1066189589.db2.gz XLXZHWVDVTYQRH-MFUBYVTQSA-N 0 0 543.041 3.868 50 0 KHAARN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000109872132 1066194836 /nfs/dbraw/zinc/19/48/36/1066194836.db2.gz KANQYWOJTSLYKC-DLBLZJNESA-N 0 0 536.675 3.963 50 0 KHAARN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000109872139 1066194778 /nfs/dbraw/zinc/19/47/78/1066194778.db2.gz KANQYWOJTSLYKC-FCKOQQNDSA-N 0 0 536.675 3.963 50 0 KHAARN O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000110125862 571430717 /nfs/dbraw/zinc/43/07/17/571430717.db2.gz HTUCCAHRDFHISH-XDTJVVMOSA-N 0 0 552.208 3.764 50 0 KHAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000110125872 571430738 /nfs/dbraw/zinc/43/07/38/571430738.db2.gz NRZWFVXROBTRKV-LOODEUFTSA-N 0 0 525.747 3.794 50 0 KHAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000110125876 571430720 /nfs/dbraw/zinc/43/07/20/571430720.db2.gz NRZWFVXROBTRKV-KNLNXMFASA-N 0 0 525.747 3.794 50 0 KHAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000110526273 571431453 /nfs/dbraw/zinc/43/14/53/571431453.db2.gz VTFUTDJKJJOHSA-BATDWUPUSA-N 0 0 552.697 3.758 50 0 KHAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc(Nc3ccc(C)cc3C)c(C(=O)N[C@H](C)COC)c2N)c1 ZINC000110564425 562825447 /nfs/dbraw/zinc/82/54/47/562825447.db2.gz BXVOMTKLGQDGTR-CLOONOSVSA-N 0 0 587.768 3.882 50 0 KHAARN NC(=O)[C@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000110787068 571431912 /nfs/dbraw/zinc/43/19/12/571431912.db2.gz XEAOPVUAMONVLA-KRWDZBQOSA-N 0 0 520.892 3.916 50 0 in-vitro KHAARN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C=Cc1cn(-c3ccccc3)nc1-c1cccs1)C2=O ZINC000111112411 1066536652 /nfs/dbraw/zinc/53/66/52/1066536652.db2.gz LTZAADLCPQCVPC-KTKRTIGZSA-N 0 0 533.610 3.689 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000112306841 1066536816 /nfs/dbraw/zinc/53/68/16/1066536816.db2.gz XKRMMINWOYXSMS-QCICCXGQSA-N 0 0 579.631 3.874 50 0 KHAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000112306843 1066536683 /nfs/dbraw/zinc/53/66/83/1066536683.db2.gz XKRMMINWOYXSMS-DEEMOYDLSA-N 0 0 579.631 3.874 50 0 KHAARN CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 ZINC000113079832 571438521 /nfs/dbraw/zinc/43/85/21/571438521.db2.gz DALMAZHDNFCDRP-VMPREFPWSA-N 0 0 601.704 3.614 50 0 KHAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000113080906 571438551 /nfs/dbraw/zinc/43/85/51/571438551.db2.gz JFGARGKDQGQVNA-GSDHBNRESA-N 0 0 553.700 3.944 50 0 KHAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(I)cc1 ZINC000113480845 571439005 /nfs/dbraw/zinc/43/90/05/571439005.db2.gz CJPADJXVSAGEEG-KGLIPLIRSA-N 0 0 525.437 3.529 50 0 KHAARN CC[C@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113481025 571439098 /nfs/dbraw/zinc/43/90/98/571439098.db2.gz QEMKDNUFNSFHHO-DXIQSLLYSA-N 0 0 537.711 3.501 50 0 KHAARN CC[C@@H](SC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113481028 571439088 /nfs/dbraw/zinc/43/90/88/571439088.db2.gz QEMKDNUFNSFHHO-XQBPLPMBSA-N 0 0 537.711 3.501 50 0 KHAARN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccccc1I ZINC000113482571 571439263 /nfs/dbraw/zinc/43/92/63/571439263.db2.gz WYVXOJMUFSZGQA-KGLIPLIRSA-N 0 0 525.437 3.529 50 0 KHAARN O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000113560479 571440062 /nfs/dbraw/zinc/44/00/62/571440062.db2.gz PRMMWMJXLNRKDD-XLNRJJMWSA-N 0 0 541.389 4.000 50 0 KHAARN O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000113560787 571440098 /nfs/dbraw/zinc/44/00/98/571440098.db2.gz LTVMBAIJRKXPCJ-PLRJNAJWSA-N 0 0 620.753 3.833 50 0 KHAARN COc1cccc(CNC(=O)/C(=C/c2ccc(I)o2)NC(=O)c2ccccc2)c1OC ZINC000113560796 571440092 /nfs/dbraw/zinc/44/00/92/571440092.db2.gz PRTHSMPUCHAVRV-AQTBWJFISA-N 0 0 532.334 3.989 50 0 KHAARN O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000113561803 571440267 /nfs/dbraw/zinc/44/02/67/571440267.db2.gz MGZXJDSLWOEOGX-ATJXCDBQSA-N 0 0 563.705 3.504 50 0 KHAARN COc1ccc(CNC(=O)/C(=C/c2ccc(I)o2)NC(=O)c2ccccc2)cc1OC ZINC000113562116 571440370 /nfs/dbraw/zinc/44/03/70/571440370.db2.gz PONHZGUKLMVPLD-AQTBWJFISA-N 0 0 532.334 3.989 50 0 KHAARN O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCCCC3)C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000113562767 571440513 /nfs/dbraw/zinc/44/05/13/571440513.db2.gz FHUMXZSXFPOAGV-QFIPXVFZSA-N 0 0 540.619 3.591 50 0 KHAARN O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCCCC3)C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000113562770 571440514 /nfs/dbraw/zinc/44/05/14/571440514.db2.gz FHUMXZSXFPOAGV-JOCHJYFZSA-N 0 0 540.619 3.591 50 0 KHAARN NS(=O)(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 ZINC000113562946 571440509 /nfs/dbraw/zinc/44/05/09/571440509.db2.gz SDCWYIXIGJGTMR-HXUWFJFHSA-N 0 0 512.638 3.567 50 0 KHAARN O=C(NCc1ccc2c(c1)OCO2)/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)NC(=O)c1ccccc1 ZINC000113563249 571440500 /nfs/dbraw/zinc/44/05/00/571440500.db2.gz PBOSTGNHULSTTC-QNGOZBTKSA-N 0 0 551.646 3.805 50 0 KHAARN O=C1C[C@@H](SC(=S)N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000113563336 571440637 /nfs/dbraw/zinc/44/06/37/571440637.db2.gz JJLQNVKMGIRBPQ-LJQANCHMSA-N 0 0 551.475 3.759 50 0 KHAARN O=C1C[C@H](SC(=S)N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000113563338 571440606 /nfs/dbraw/zinc/44/06/06/571440606.db2.gz JJLQNVKMGIRBPQ-IBGZPJMESA-N 0 0 551.475 3.759 50 0 KHAARN Cc1c(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000113627890 571441555 /nfs/dbraw/zinc/44/15/55/571441555.db2.gz GDHIPDSOMVNVRR-VXKWHMMOSA-N 0 0 502.596 3.671 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=O)CSC2=N/C(=C/c3cc4ccccc4[nH]3)C(=O)N2c2ccccc2)cc1 ZINC000113628795 571441760 /nfs/dbraw/zinc/44/17/60/571441760.db2.gz PIWLUVGPXBYSHS-HZHRSRAPSA-N 0 0 531.619 3.931 50 0 KHAARN Brc1ccc2c(c1)OCCn1c(I)c(I)nc1-2 ZINC000116315383 571443389 /nfs/dbraw/zinc/44/33/89/571443389.db2.gz BOLGNRXJXPPVJO-UHFFFAOYSA-N 0 0 516.902 3.914 50 0 KHAARN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@@H]23)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000118117164 571443402 /nfs/dbraw/zinc/44/34/02/571443402.db2.gz WLEOHEIRUFTYCF-FYEBJQQMSA-N 0 0 562.643 3.812 50 0 KHAARN COC(=O)c1cc2nc(N3CCC(c4cc(-c5ccc(OC)c(OC)c5)n[nH]4)CC3)nc(N)c2cc1C(=O)OC ZINC000135683588 571448793 /nfs/dbraw/zinc/44/87/93/571448793.db2.gz GPHNMVIHGCKSEH-UHFFFAOYSA-N 0 0 546.584 3.577 50 0 KHAARN O=S(=O)(c1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000135734262 571448933 /nfs/dbraw/zinc/44/89/33/571448933.db2.gz MYJOAXCWGGLIIH-UHFFFAOYSA-N 0 0 521.458 3.793 50 0 KHAARN CCc1ccc(COc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)ccc2OC)c(O[C@@H](C)C(=O)OC)c1 ZINC000135791666 571449080 /nfs/dbraw/zinc/44/90/80/571449080.db2.gz WDIFDLOGEUWVKO-HNNXBMFYSA-N 0 0 536.503 3.645 50 0 KHAARN CCc1ccc(COc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)ccc2OC)c(O[C@H](C)C(=O)OC)c1 ZINC000135791699 571448998 /nfs/dbraw/zinc/44/89/98/571448998.db2.gz WDIFDLOGEUWVKO-OAHLLOKOSA-N 0 0 536.503 3.645 50 0 KHAARN COC(=O)c1ccccc1NC(=S)N[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000136948257 1066189661 /nfs/dbraw/zinc/18/96/61/1066189661.db2.gz XDOBZAKDGWBBAF-LJQANCHMSA-N 0 0 534.849 3.832 50 0 KHAARN COC(=O)c1ccccc1NC(=S)N[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000136948308 1066189656 /nfs/dbraw/zinc/18/96/56/1066189656.db2.gz XDOBZAKDGWBBAF-IBGZPJMESA-N 0 0 534.849 3.832 50 0 KHAARN CN1CCN(C(=O)c2[nH]cnc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)CC1 ZINC000136952812 571449761 /nfs/dbraw/zinc/44/97/61/571449761.db2.gz BYYZGNCZKWOIDN-UHFFFAOYSA-N 0 0 530.810 3.697 50 0 KHAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccnn4C)cc3)[C@@H]2C1=O ZINC000137884108 571450825 /nfs/dbraw/zinc/45/08/25/571450825.db2.gz MEHWUOBAAVYLLW-KKUQBAQOSA-N 0 0 508.534 3.999 50 0 KHAARN COC(=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C2=CC3[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@H]34)[C@@]1(C)C2=O ZINC000138688381 571451796 /nfs/dbraw/zinc/45/17/96/571451796.db2.gz YEAXMHFWUBJUEN-JLICFTCYSA-N 0 0 526.582 3.762 50 0 KHAARN CC1=CC[C@@H](OC(=O)c2cccnc2)[C@@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000139633638 290699994 /nfs/dbraw/zinc/69/99/94/290699994.db2.gz YRHBQGMATXHLKG-WGKNOFBZSA-N 0 0 576.646 3.836 50 0 KHAARN O=C1NCCCC[C@H]1N(Cc1ccc(I)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000143900702 571456383 /nfs/dbraw/zinc/45/63/83/571456383.db2.gz 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O=C([C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)[C@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)CCOCCOCC1 ZINC000150386906 571469547 /nfs/dbraw/zinc/46/95/47/571469547.db2.gz LAHSREHZVZNJHJ-MAZIBIHTSA-N 0 0 788.854 3.799 50 0 KHAARN O=C([C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)[C@@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)CCOCCOCC1 ZINC000150386907 571469564 /nfs/dbraw/zinc/46/95/64/571469564.db2.gz LAHSREHZVZNJHJ-XPSQVAKYSA-N 0 0 788.854 3.799 50 0 KHAARN O=C([C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)[C@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)CCOCCOCC1 ZINC000150386909 571469582 /nfs/dbraw/zinc/46/95/82/571469582.db2.gz LAHSREHZVZNJHJ-UWXQCODUSA-N 0 0 788.854 3.799 50 0 KHAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000150387606 571470226 /nfs/dbraw/zinc/47/02/26/571470226.db2.gz LQTSEEXEFZESQD-UHFFFAOYSA-N 0 0 657.800 3.576 50 0 KHAARN CCOc1ccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nnc2SCC(=O)Nc2nccs2)cc1 ZINC000150387609 571470225 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COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000150388021 571470547 /nfs/dbraw/zinc/47/05/47/571470547.db2.gz QYQXFUQMXVVYDP-MHZLTWQESA-N 0 0 665.773 3.613 50 0 KHAARN COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3C)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000150388023 571470627 /nfs/dbraw/zinc/47/06/27/571470627.db2.gz QYQXFUQMXVVYDP-HHHXNRCGSA-N 0 0 665.773 3.613 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2C)cc1 ZINC000150388025 571470580 /nfs/dbraw/zinc/47/05/80/571470580.db2.gz LOXJFWBQRMNEOW-DEOSSOPVSA-N 0 0 653.812 3.536 50 0 KHAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2C)cc1 ZINC000150388026 571470599 /nfs/dbraw/zinc/47/05/99/571470599.db2.gz LOXJFWBQRMNEOW-XMMPIXPASA-N 0 0 653.812 3.536 50 0 KHAARN CCCn1cc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000150388471 571470998 /nfs/dbraw/zinc/47/09/98/571470998.db2.gz 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/nfs/dbraw/zinc/47/83/71/571478371.db2.gz KJGLJZNJFNBXTO-UHFFFAOYSA-N 0 0 648.163 3.595 50 0 KHAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(Br)cc4C)c(=O)c32)CC1 ZINC000150401957 571478385 /nfs/dbraw/zinc/47/83/85/571478385.db2.gz SGFJTKIVMUUTBX-UHFFFAOYSA-N 0 0 646.589 3.996 50 0 KHAARN CCc1sc2nc(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000150403809 571478867 /nfs/dbraw/zinc/47/88/67/571478867.db2.gz AAGMYUFMHRVTHU-UHFFFAOYSA-N 0 0 662.794 3.579 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)CC1 ZINC000150403865 571479019 /nfs/dbraw/zinc/47/90/19/571479019.db2.gz OSNRDJQHBROAND-RDGATRHJSA-N 0 0 659.740 3.664 50 0 KHAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3ccc(Br)o3)c2)CC1 ZINC000150403877 571478970 /nfs/dbraw/zinc/47/89/70/571478970.db2.gz WJGLZVRKFDEUMD-CTNGQTDRSA-N 0 0 638.519 3.994 50 0 KHAARN Cc1ccc(NC(=O)[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000150408233 571480755 /nfs/dbraw/zinc/48/07/55/571480755.db2.gz UPGJYNSMRKZMBK-HHHXNRCGSA-N 0 0 649.191 3.863 50 0 KHAARN Cc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000150408239 571480749 /nfs/dbraw/zinc/48/07/49/571480749.db2.gz UPGJYNSMRKZMBK-MHZLTWQESA-N 0 0 649.191 3.863 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2C)cc1 ZINC000150409879 571482296 /nfs/dbraw/zinc/48/22/96/571482296.db2.gz KKCATKGCYLZVRD-QHCPKHFHSA-N 0 0 641.776 3.666 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2C)cc1 ZINC000150409884 571482300 /nfs/dbraw/zinc/48/23/00/571482300.db2.gz KKCATKGCYLZVRD-HSZRJFAPSA-N 0 0 641.776 3.666 50 0 KHAARN COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2C)c1OC ZINC000150409888 571482283 /nfs/dbraw/zinc/48/22/83/571482283.db2.gz ACILXHMXYQOUKH-QHCPKHFHSA-N 0 0 683.838 3.544 50 0 KHAARN COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2C)c1OC ZINC000150409892 571482277 /nfs/dbraw/zinc/48/22/77/571482277.db2.gz ACILXHMXYQOUKH-HSZRJFAPSA-N 0 0 683.838 3.544 50 0 KHAARN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000150409967 571482382 /nfs/dbraw/zinc/48/23/82/571482382.db2.gz LOSHYCCUJKUHJG-SANMLTNESA-N 0 0 679.850 3.606 50 0 KHAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000150409970 571482408 /nfs/dbraw/zinc/48/24/08/571482408.db2.gz LOSHYCCUJKUHJG-AREMUKBSSA-N 0 0 679.850 3.606 50 0 KHAARN COc1ccc(N(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)c2)cc1 ZINC000150412679 571484598 /nfs/dbraw/zinc/48/45/98/571484598.db2.gz YQRSIWMGKFTMTP-UHFFFAOYSA-N 0 0 819.336 3.678 50 0 KHAARN 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571499816 /nfs/dbraw/zinc/49/98/16/571499816.db2.gz MUCXEJWLZQNECO-DEOSSOPVSA-N 0 0 660.749 3.551 50 0 KHAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4nc3SCC(=O)NC[C@H]3CCCO3)OCO5)cc2)cc1OC ZINC000150444688 571499682 /nfs/dbraw/zinc/49/96/82/571499682.db2.gz MUCXEJWLZQNECO-XMMPIXPASA-N 0 0 660.749 3.551 50 0 KHAARN COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCc2cc(=O)n3cc(Cl)ccc3n2)OCO4)cc1OC ZINC000150445239 571500202 /nfs/dbraw/zinc/50/02/02/571500202.db2.gz NMNNQVPKOJGCTO-UHFFFAOYSA-N 0 0 650.113 3.845 50 0 KHAARN NC(=O)c1ccc(NC(=O)c2cc(I)cc(I)c2I)cc1 ZINC000150445332 571500491 /nfs/dbraw/zinc/50/04/91/571500491.db2.gz PUEWLXGWQXKSQX-UHFFFAOYSA-N 0 0 617.950 3.852 50 0 KHAARN COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCCc2ccc(OC)c(OC)c2)OCO4)c(OC)c1 ZINC000150445473 571500400 /nfs/dbraw/zinc/50/04/00/571500400.db2.gz LHNAKXADXJUYAA-UHFFFAOYSA-N 0 0 650.710 3.639 50 0 KHAARN COc1ccc(C(=O)Nc2ccc(OS(=O)(=O)c3ccc(Cl)c(NC(=O)c4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)c3)cc2)cc1S(=O)(=O)N1CCOCC1 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CCOC(=O)C1=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OCC)cc1 ZINC000150468604 571508418 /nfs/dbraw/zinc/50/84/18/571508418.db2.gz FGNRYHOADYZFNG-ZWZYBHSTSA-N 0 0 632.760 3.606 50 0 KHAARN CCOC(=O)C1=c2sc(=Cc3ccc(OCC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OCC)cc1 ZINC000150468610 571508428 /nfs/dbraw/zinc/50/84/28/571508428.db2.gz FGNRYHOADYZFNG-VRDDCFLCSA-N 0 0 632.760 3.606 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)cc1 ZINC000150470923 571509357 /nfs/dbraw/zinc/50/93/57/571509357.db2.gz MJHSVAQUDJOGHJ-VWLOTQADSA-N 0 0 694.593 3.997 50 0 KHAARN COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)cc1 ZINC000150470928 571509409 /nfs/dbraw/zinc/50/94/09/571509409.db2.gz MJHSVAQUDJOGHJ-RUZDIDTESA-N 0 0 694.593 3.997 50 0 KHAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000150477378 571511284 /nfs/dbraw/zinc/51/12/84/571511284.db2.gz 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CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000169679650 571556377 /nfs/dbraw/zinc/55/63/77/571556377.db2.gz GYTCAANWCCEFEF-AVRWGWEMSA-N 0 0 579.094 3.778 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)C[C@@H]1C ZINC000169679684 571556248 /nfs/dbraw/zinc/55/62/48/571556248.db2.gz WKFIPSOZARIDSY-RXFWQSSRSA-N 0 0 535.645 3.728 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000169679726 571556559 /nfs/dbraw/zinc/55/65/59/571556559.db2.gz IYGLOUPNDVKASO-UQBPGWFLSA-N 0 0 561.104 3.557 50 0 KHAARN O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)n1C[C@@H]1CCCO1 ZINC000169679728 571556456 /nfs/dbraw/zinc/55/64/56/571556456.db2.gz MCUZTGDZAVANPO-RPBOFIJWSA-N 0 0 577.700 3.545 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000169679729 571556558 /nfs/dbraw/zinc/55/65/58/571556558.db2.gz KRYHEXYMVJDPTH-RXFWQSSRSA-N 0 0 575.131 3.865 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000169679746 571556413 /nfs/dbraw/zinc/55/64/13/571556413.db2.gz GVZSYTAKTWZFEW-AVRWGWEMSA-N 0 0 579.094 3.778 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000169679748 571556519 /nfs/dbraw/zinc/55/65/19/571556519.db2.gz GGJKVIQNRGEKDY-BXKMTCNYSA-N 0 0 581.522 3.902 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000169679767 571556478 /nfs/dbraw/zinc/55/64/78/571556478.db2.gz OQLIFHMIPKZNBN-UQBPGWFLSA-N 0 0 561.104 3.638 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000169679788 571556487 /nfs/dbraw/zinc/55/64/87/571556487.db2.gz VJGQOIPXPGGEID-BXKMTCNYSA-N 0 0 581.522 3.902 50 0 KHAARN CN1OC[C@H](S(=O)(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000169679919 571556712 /nfs/dbraw/zinc/55/67/12/571556712.db2.gz KEIQCXIQAVIIOJ-SVBPBHIXSA-N 0 0 511.619 3.843 50 0 KHAARN COc1cc([C@@H]2C3=C(COC3=O)N(c3ccccc3)[C@]3(Nc4ccccc4)COC(=O)[C@@H]23)cc2c1OCO2 ZINC000169680272 571556642 /nfs/dbraw/zinc/55/66/42/571556642.db2.gz XYGODGIBYGKECA-FLFAWLEMSA-N 0 0 512.518 3.820 50 0 KHAARN Cc1ccccc1[C@@H]1c2ccsc2CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680845 571557000 /nfs/dbraw/zinc/55/70/00/571557000.db2.gz KPRPOYUPQPEWNK-KDYSTLNUSA-N 0 0 509.697 3.926 50 0 KHAARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)[C@@H](C)C2)cc1 ZINC000169680857 571557320 /nfs/dbraw/zinc/55/73/20/571557320.db2.gz FOYMMMUPMGGCKC-WTYVLRPYSA-N 0 0 555.722 3.634 50 0 KHAARN COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680890 571557112 /nfs/dbraw/zinc/55/71/12/571557112.db2.gz UAHADDNAMKDBDQ-CCLHPLFOSA-N 0 0 525.696 3.626 50 0 KHAARN Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680914 571557338 /nfs/dbraw/zinc/55/73/38/571557338.db2.gz XZMNWVKCOQVTHS-KDYSTLNUSA-N 0 0 509.697 3.926 50 0 KHAARN Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680915 571557136 /nfs/dbraw/zinc/55/71/36/571557136.db2.gz XZMNWVKCOQVTHS-IDISGSTGSA-N 0 0 509.697 3.926 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000169680932 571557505 /nfs/dbraw/zinc/55/75/05/571557505.db2.gz RVPZOPNKRXNGQN-WXVAWEFUSA-N 0 0 554.713 3.602 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3Cl)NC(=O)N2CC)C[C@@H]1C ZINC000169681056 571557544 /nfs/dbraw/zinc/55/75/44/571557544.db2.gz KCGWCMDEBBCIKV-YCRPNKLZSA-N 0 0 526.465 3.632 50 0 KHAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681817 571557792 /nfs/dbraw/zinc/55/77/92/571557792.db2.gz CRAICDOTRHTUCC-NOZRDPDXSA-N 0 0 520.571 3.551 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000169681889 571557720 /nfs/dbraw/zinc/55/77/20/571557720.db2.gz LCEPBQVQYGLXKK-RXFWQSSRSA-N 0 0 575.131 3.947 50 0 KHAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)c(Br)c1 ZINC000169683592 571558148 /nfs/dbraw/zinc/55/81/48/571558148.db2.gz HCAAOORQCLNYPI-HZPDHXFCSA-N 0 0 536.448 3.825 50 0 KHAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)c(Br)c1 ZINC000169683593 571558197 /nfs/dbraw/zinc/55/81/97/571558197.db2.gz HCAAOORQCLNYPI-CVEARBPZSA-N 0 0 536.448 3.825 50 0 KHAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000169683605 571558183 /nfs/dbraw/zinc/55/81/83/571558183.db2.gz IZELODLTQRJQPI-NZQKXSOJSA-N 0 0 525.671 3.596 50 0 KHAARN Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)ccc1Br ZINC000169683606 571558152 /nfs/dbraw/zinc/55/81/52/571558152.db2.gz FHLHCYPTNJNIMP-HZPDHXFCSA-N 0 0 536.448 3.825 50 0 KHAARN Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)ccc1Br ZINC000169683607 571558126 /nfs/dbraw/zinc/55/81/26/571558126.db2.gz FHLHCYPTNJNIMP-CVEARBPZSA-N 0 0 536.448 3.825 50 0 KHAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(=O)OC)C1 ZINC000169686974 571558468 /nfs/dbraw/zinc/55/84/68/571558468.db2.gz NPARAVZBWUBILN-MRXNPFEDSA-N 0 0 505.662 3.728 50 0 KHAARN CCN(CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2c1=O)c1cccc(C)c1 ZINC000169694564 571558866 /nfs/dbraw/zinc/55/88/66/571558866.db2.gz SASZJRGUACUVAM-NHCUHLMSSA-N 0 0 573.785 3.774 50 0 KHAARN COc1cccc([C@@H]2NN(C(=O)c3cccc(Br)c3)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]23)c1 ZINC000169697041 571558791 /nfs/dbraw/zinc/55/87/91/571558791.db2.gz IZTDELJNRZBKSB-RJGXRXQPSA-N 0 0 536.382 3.726 50 0 KHAARN COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]12 ZINC000169704073 571558986 /nfs/dbraw/zinc/55/89/86/571558986.db2.gz KRELAXVLAXJLST-FDFHNCONSA-N 0 0 524.346 3.857 50 0 KHAARN COc1ccc(-c2noc(CCCC(=O)N3CCC(Cc4nc(C5CCOCC5)no4)CC3)n2)cc1OC ZINC000169779964 1066497440 /nfs/dbraw/zinc/49/74/40/1066497440.db2.gz GZXOVGXCQVHJQR-UHFFFAOYSA-N 0 0 525.606 3.835 50 0 KHAARN O=C(CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)N1CCC(Cc2nncn2CC2CC2)CC1 ZINC000169779985 1066497380 /nfs/dbraw/zinc/49/73/80/1066497380.db2.gz BWZWVKMBYNZOJE-HHHXNRCGSA-N 0 0 514.630 3.811 50 0 KHAARN O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)N1CCC(Cc2nncn2CC2CC2)CC1 ZINC000169779986 1066494479 /nfs/dbraw/zinc/49/44/79/1066494479.db2.gz BWZWVKMBYNZOJE-MHZLTWQESA-N 0 0 514.630 3.811 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@@H](CCOc2ccccc2F)C1 ZINC000169780075 1066497409 /nfs/dbraw/zinc/49/74/09/1066497409.db2.gz CYKNLHVNJFVBRP-KRWDZBQOSA-N 0 0 518.636 3.549 50 0 KHAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@H](CCOc2ccccc2F)C1 ZINC000169780076 1066497471 /nfs/dbraw/zinc/49/74/71/1066497471.db2.gz CYKNLHVNJFVBRP-QGZVFWFLSA-N 0 0 518.636 3.549 50 0 KHAARN COc1ccc(-c2noc(CCCC(=O)N3CCC[C@@H](c4nc(C5CCOCC5)no4)C3)n2)cc1OC ZINC000169780551 1066497988 /nfs/dbraw/zinc/49/79/88/1066497988.db2.gz YXFSJRSBWJSLHQ-LJQANCHMSA-N 0 0 511.579 3.760 50 0 KHAARN COc1ccc(-c2noc(CCCC(=O)N3CCC[C@H](c4nc(C5CCOCC5)no4)C3)n2)cc1OC ZINC000169780552 1066497944 /nfs/dbraw/zinc/49/79/44/1066497944.db2.gz YXFSJRSBWJSLHQ-IBGZPJMESA-N 0 0 511.579 3.760 50 0 KHAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000169780661 1066498103 /nfs/dbraw/zinc/49/81/03/1066498103.db2.gz ZEWPGFTZNAVAEN-UHFFFAOYSA-N 0 0 520.350 3.731 50 0 KHAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCC[C@@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780662 1066498015 /nfs/dbraw/zinc/49/80/15/1066498015.db2.gz VKCCDJFHBDHQBF-CYBMUJFWSA-N 0 0 506.323 3.656 50 0 KHAARN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCC[C@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780663 1066497935 /nfs/dbraw/zinc/49/79/35/1066497935.db2.gz VKCCDJFHBDHQBF-ZDUSSCGKSA-N 0 0 506.323 3.656 50 0 KHAARN CN(CC(=O)N1CCCn2nc(-c3cccc(C(F)(F)F)c3)cc2C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000169784065 1066497975 /nfs/dbraw/zinc/49/79/75/1066497975.db2.gz KYOPSPUSLCHYTG-UHFFFAOYSA-N 0 0 561.586 3.507 50 0 KHAARN Cc1ccc(OCc2nc([C@@H]3CCCCN3C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)no2)cc1 ZINC000169786134 1066498008 /nfs/dbraw/zinc/49/80/08/1066498008.db2.gz SVFKBGKUYARLPJ-QFIPXVFZSA-N 0 0 503.559 3.776 50 0 KHAARN Cc1ccc(OCc2nc([C@H]3CCCCN3C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)no2)cc1 ZINC000169786135 1066498068 /nfs/dbraw/zinc/49/80/68/1066498068.db2.gz SVFKBGKUYARLPJ-JOCHJYFZSA-N 0 0 503.559 3.776 50 0 KHAARN COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H](C)C2)C(C)C)c(OC)c1 ZINC000169793522 571560547 /nfs/dbraw/zinc/56/05/47/571560547.db2.gz SHQNLPSJITZTAW-RNHFSVANSA-N 0 0 503.684 3.980 50 0 KHAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@@H](C)C2 ZINC000170597306 571561717 /nfs/dbraw/zinc/56/17/17/571561717.db2.gz LSKOVUQFPQZCOW-VKJFTORMSA-N 0 0 508.637 3.725 50 0 KHAARN COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000170618134 571562163 /nfs/dbraw/zinc/56/21/63/571562163.db2.gz SXMGFSQHPNWMIK-QHCPKHFHSA-N 0 0 503.577 3.746 50 0 KHAARN COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000170618135 571562069 /nfs/dbraw/zinc/56/20/69/571562069.db2.gz SXMGFSQHPNWMIK-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000170618156 571562146 /nfs/dbraw/zinc/56/21/46/571562146.db2.gz BDBSOYKLKLBHKE-QHCPKHFHSA-N 0 0 503.577 3.746 50 0 KHAARN COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000170618157 571562112 /nfs/dbraw/zinc/56/21/12/571562112.db2.gz BDBSOYKLKLBHKE-HSZRJFAPSA-N 0 0 503.577 3.746 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C[C@@]3(O)C(=O)Nc4cc(Br)ccc43)cc2)cc1 ZINC000170619974 571562373 /nfs/dbraw/zinc/56/23/73/571562373.db2.gz SQVNLMCRJZXUJL-QHCPKHFHSA-N 0 0 515.385 3.971 50 0 KHAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C[C@]3(O)C(=O)Nc4cc(Br)ccc43)cc2)cc1 ZINC000170619975 571562497 /nfs/dbraw/zinc/56/24/97/571562497.db2.gz SQVNLMCRJZXUJL-HSZRJFAPSA-N 0 0 515.385 3.971 50 0 KHAARN O=C(C[C@@]1(O)C(=O)Nc2cc(Br)ccc21)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000170619976 571562400 /nfs/dbraw/zinc/56/24/00/571562400.db2.gz RCJMCEQIYHTORS-QFIPXVFZSA-N 0 0 501.358 3.663 50 0 KHAARN O=C(C[C@]1(O)C(=O)Nc2cc(Br)ccc21)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000170619977 571562394 /nfs/dbraw/zinc/56/23/94/571562394.db2.gz RCJMCEQIYHTORS-JOCHJYFZSA-N 0 0 501.358 3.663 50 0 KHAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2cc(Br)cc3c2n(c1=O)CCC3 ZINC000170622758 571562961 /nfs/dbraw/zinc/56/29/61/571562961.db2.gz IVQYVLKKDDDCOO-UHFFFAOYSA-N 0 0 502.390 3.502 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000170623727 1066494560 /nfs/dbraw/zinc/49/45/60/1066494560.db2.gz UGUDWNOQTKUOGA-CQSZACIVSA-N 0 0 549.811 3.766 50 0 KHAARN NS(=O)(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(Cl)(Cl)Cl)cc1 ZINC000170623728 1066494362 /nfs/dbraw/zinc/49/43/62/1066494362.db2.gz UGUDWNOQTKUOGA-AWEZNQCLSA-N 0 0 549.811 3.766 50 0 KHAARN CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)N(C)C ZINC000195529313 1066328116 /nfs/dbraw/zinc/32/81/16/1066328116.db2.gz JNLWXNUPEATLCE-STWLZBDKSA-N 0 0 586.784 3.868 50 0 KHAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000195533490 571563630 /nfs/dbraw/zinc/56/36/30/571563630.db2.gz VTQYXLZEXHUYQJ-PVKQIQIRSA-N 0 0 534.059 3.736 50 0 KHAARN CCOCCCN1C(=O)C2=C(N[C@@H]1c1ccccc1)N(C[C@H]1CCCO1)C(=S)N[C@@H]2c1ccccc1 ZINC000195553699 571563809 /nfs/dbraw/zinc/56/38/09/571563809.db2.gz FOSBJXSUUWAZTR-GPXOXTDOSA-N 0 0 506.672 3.866 50 0 KHAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1-c1ccc(C)cc1-n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC ZINC000195816129 1066501521 /nfs/dbraw/zinc/50/15/21/1066501521.db2.gz BZVZVGLAIFTNGR-UHFFFAOYSA-N 0 0 746.835 3.869 50 0 KHAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1[C@@H]1CCCC[C@@H]1n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC ZINC000195858994 1066501668 /nfs/dbraw/zinc/50/16/68/1066501668.db2.gz UWOGLVXOFZIYTR-OKILXGFUSA-N 0 0 738.856 3.938 50 0 KHAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1[C@H]1CCCC[C@@H]1n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC ZINC000195859000 1066501578 /nfs/dbraw/zinc/50/15/78/1066501578.db2.gz UWOGLVXOFZIYTR-KBPBESRZSA-N 0 0 738.856 3.938 50 0 KHAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1[C@@H]1CCCC[C@H]1n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC ZINC000195859007 1066501612 /nfs/dbraw/zinc/50/16/12/1066501612.db2.gz UWOGLVXOFZIYTR-ZIAGYGMSSA-N 0 0 738.856 3.938 50 0 KHAARN COc1cc([C@@]23O[C@@H](c4cc5c(cc42)OCO5)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc(OC)c1OC ZINC000196651307 1066488899 /nfs/dbraw/zinc/48/88/99/1066488899.db2.gz WFSSHVDSUGLUHC-YIIHUHPWSA-N 0 0 501.491 3.575 50 0 KHAARN O=C(NC1CCCCC1)OC[C@H]1O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](OC(=O)NC2CCCCC2)[C@@H]1OC(=O)NC1CCCCC1 ZINC000198750591 571568906 /nfs/dbraw/zinc/56/89/06/571568906.db2.gz XLQBBKKIFIIJJI-ZYWWQZICSA-N 0 0 643.742 3.931 50 0 KHAARN CCCCCCOc1ccc2c(c1)CCc1cnn([C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c1-2 ZINC000198754451 571569024 /nfs/dbraw/zinc/56/90/24/571569024.db2.gz UHVDAMDJYNNCQB-DYSNXAHPSA-N 0 0 600.665 3.863 50 0 KHAARN Cc1ccc(Cl)cc1NC(=O)Cn1c2cc3c(cc2c(=O)n(Cc2nc(-c4ccccc4)no2)c1=O)OCO3 ZINC000200199677 571569168 /nfs/dbraw/zinc/56/91/68/571569168.db2.gz RKXGKOLGPCBJMW-UHFFFAOYSA-N 0 0 545.939 3.591 50 0 KHAARN O=C(Cn1c(=O)n(Cc2nc(-c3ccccc3)no2)c(=O)c2ccccc21)Nc1ccccc1C(F)(F)F ZINC000200199733 571569178 /nfs/dbraw/zinc/56/91/78/571569178.db2.gz DEIHSDKEBCSTQH-UHFFFAOYSA-N 0 0 521.455 3.919 50 0 KHAARN COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CCN1C ZINC000205490054 571569573 /nfs/dbraw/zinc/56/95/73/571569573.db2.gz USQFTJRDRWWXGG-DHIUTWEWSA-N 0 0 548.548 3.634 50 0 KHAARN CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1 ZINC000205740383 562875853 /nfs/dbraw/zinc/87/58/53/562875853.db2.gz LHGUZCKPFXXVPV-GOSISDBHSA-N 0 0 528.675 3.508 50 0 in-vitro KHAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(NC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc1)CC2 ZINC000206062213 571572297 /nfs/dbraw/zinc/57/22/97/571572297.db2.gz DKERCIFGUNDTFO-XXBNENTESA-N 0 0 528.609 3.715 50 0 KHAARN CCOC(=O)c1sc(NC(=O)CNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)nc1C ZINC000206232807 571572296 /nfs/dbraw/zinc/57/22/96/571572296.db2.gz AMWMCBBFXVMJLC-HXUWFJFHSA-N 0 0 610.689 3.855 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000206234218 571572326 /nfs/dbraw/zinc/57/23/26/571572326.db2.gz NVZWRJJLLVMJSO-GDLZYMKVSA-N 0 0 696.805 3.636 50 0 KHAARN CCOC(=O)N1CCC(n2c(=O)c3sccc3nc2SCC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000206593103 571572863 /nfs/dbraw/zinc/57/28/63/571572863.db2.gz ZJDXYOWEZACYOR-UHFFFAOYSA-N 0 0 532.644 3.999 50 0 KHAARN 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CCOC(=O)C1=C(C)C2(Br)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]12 ZINC000245325686 572231881 /nfs/dbraw/zinc/23/18/81/572231881.db2.gz HGVOGCMCCHQBNI-ROVDASJOSA-N 0 0 613.411 3.923 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000245325948 572231985 /nfs/dbraw/zinc/23/19/85/572231985.db2.gz CATGEHRZMNFBSG-LVXARBLLSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000245325953 572231872 /nfs/dbraw/zinc/23/18/72/572231872.db2.gz CBCPUWQXQINEAC-UUOWRZLLSA-N 0 0 509.582 3.577 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000245326000 572232529 /nfs/dbraw/zinc/23/25/29/572232529.db2.gz CRUGGRBSJMSYLZ-SBUREZEXSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000245326004 572232442 /nfs/dbraw/zinc/23/24/42/572232442.db2.gz CSSUYCJTSSXALT-LVXARBLLSA-N 0 0 504.631 3.663 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000245326064 572232568 /nfs/dbraw/zinc/23/25/68/572232568.db2.gz DAAURVWFMIAGOI-UUOWRZLLSA-N 0 0 509.582 3.577 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000245326156 572232408 /nfs/dbraw/zinc/23/24/08/572232408.db2.gz DLIIUUGTTIJCNV-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245326182 572232493 /nfs/dbraw/zinc/23/24/93/572232493.db2.gz DUYMOLYRMFIBEV-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245326958 572233549 /nfs/dbraw/zinc/23/35/49/572233549.db2.gz HJECSDSVACHRCZ-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000245327018 572233716 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572234343 /nfs/dbraw/zinc/23/43/43/572234343.db2.gz QUSYSPGCWRPBLF-NJDAHSKKSA-N 0 0 510.631 3.577 50 0 KHAARN O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccccc2)n1C[C@H]1CCCO1 ZINC000245327968 572234470 /nfs/dbraw/zinc/23/44/70/572234470.db2.gz MCUZTGDZAVANPO-JWQCQUIFSA-N 0 0 577.700 3.545 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000245328339 572234852 /nfs/dbraw/zinc/23/48/52/572234852.db2.gz NLKAFOJVMMGFGG-BVZFJXPGSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000245328379 572234790 /nfs/dbraw/zinc/23/47/90/572234790.db2.gz OCPPCBXFXGYMTP-KKSFZXQISA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000245328722 572235116 /nfs/dbraw/zinc/23/51/16/572235116.db2.gz OXSBITNZDYFCAR-DFBJGRDBSA-N 0 0 508.594 3.576 50 0 KHAARN 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50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000245329093 572235594 /nfs/dbraw/zinc/23/55/94/572235594.db2.gz QRXSGDSMVKAXFQ-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000245329127 572235537 /nfs/dbraw/zinc/23/55/37/572235537.db2.gz QXRIWMYUJFUNFR-DFBJGRDBSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000245329139 572235659 /nfs/dbraw/zinc/23/56/59/572235659.db2.gz QYJOOUUALYZXJC-IDISGSTGSA-N 0 0 534.657 3.672 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1F ZINC000245329161 572235574 /nfs/dbraw/zinc/23/55/74/572235574.db2.gz RCJOEHPGYHOPPZ-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@H]([C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]31)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000245329194 572235660 /nfs/dbraw/zinc/23/56/60/572235660.db2.gz YEWQGSQPRAETAP-ADHBEUFMSA-N 0 0 580.681 3.808 50 0 KHAARN C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@H]([C@@H]3C(=O)N(C[C@H]4CCCO4)C(=O)[C@H]31)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000245329197 572235600 /nfs/dbraw/zinc/23/56/00/572235600.db2.gz YEWQGSQPRAETAP-HRSNKCQWSA-N 0 0 580.681 3.808 50 0 KHAARN C[C@]12C(c3ccccc3)=C(c3ccccc3)[C@H]([C@@H]3C(=O)N(C[C@H]4CCCO4)C(=O)[C@@H]31)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000245329201 572235656 /nfs/dbraw/zinc/23/56/56/572235656.db2.gz YEWQGSQPRAETAP-UFNUBCNMSA-N 0 0 580.681 3.808 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000245329255 572235642 /nfs/dbraw/zinc/23/56/42/572235642.db2.gz RYDAWHWPRYDOMS-BVZFJXPGSA-N 0 0 526.584 3.715 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000245329291 572235629 /nfs/dbraw/zinc/23/56/29/572235629.db2.gz STLKBLVUHXORRE-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245329976 572236092 /nfs/dbraw/zinc/23/60/92/572236092.db2.gz VUPIMXMNBNVNFG-UUOWRZLLSA-N 0 0 517.070 3.966 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000245329984 572236072 /nfs/dbraw/zinc/23/60/72/572236072.db2.gz WDPXZRRTVWSCFZ-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)C[C@H]1C ZINC000245329995 572236034 /nfs/dbraw/zinc/23/60/34/572236034.db2.gz WKFIPSOZARIDSY-FQRUVTKNSA-N 0 0 535.645 3.728 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000245330052 572236049 /nfs/dbraw/zinc/23/60/49/572236049.db2.gz WTZGBRQEFSNNFY-UUOWRZLLSA-N 0 0 511.022 3.700 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000245330060 572236043 /nfs/dbraw/zinc/23/60/43/572236043.db2.gz WUIZKJYFRBPTQG-CPJSRVTESA-N 0 0 505.619 3.747 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ZJRHTALOABOZLZ-SIBVEZHUSA-N 0 0 538.620 3.584 50 0 KHAARN COc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000245343128 572237602 /nfs/dbraw/zinc/23/76/02/572237602.db2.gz GFOZBFQWLZZEKP-HFMPRLQTSA-N 0 0 514.022 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000245343130 572237769 /nfs/dbraw/zinc/23/77/69/572237769.db2.gz GGJKVIQNRGEKDY-XDHUDOTRSA-N 0 0 581.522 3.902 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000245343149 572237777 /nfs/dbraw/zinc/23/77/77/572237777.db2.gz GVZSYTAKTWZFEW-BVZFJXPGSA-N 0 0 579.094 3.778 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000245343156 572237647 /nfs/dbraw/zinc/23/76/47/572237647.db2.gz GYTCAANWCCEFEF-BVZFJXPGSA-N 0 0 579.094 3.778 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000245343233 572238291 /nfs/dbraw/zinc/23/82/91/572238291.db2.gz IYGLOUPNDVKASO-DFBJGRDBSA-N 0 0 561.104 3.557 50 0 KHAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000245343243 572238165 /nfs/dbraw/zinc/23/81/65/572238165.db2.gz JJKHRUMLKKOJSF-WXFUMESZSA-N 0 0 578.419 3.894 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000245343261 572238034 /nfs/dbraw/zinc/23/80/34/572238034.db2.gz JVMMQTLCTNWQCR-QYBDOPJKSA-N 0 0 571.074 3.717 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245343262 572238027 /nfs/dbraw/zinc/23/80/27/572238027.db2.gz JVQIVRDZTWHQFQ-DFBJGRDBSA-N 0 0 561.104 3.638 50 0 KHAARN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000245343290 572238288 /nfs/dbraw/zinc/23/82/88/572238288.db2.gz KPFHNSDSTBXXKY-LSQMVHIFSA-N 0 0 505.640 3.850 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000245343291 572238227 /nfs/dbraw/zinc/23/82/27/572238227.db2.gz KRYHEXYMVJDPTH-FNZWTVRRSA-N 0 0 575.131 3.865 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245343305 572238142 /nfs/dbraw/zinc/23/81/42/572238142.db2.gz LCEPBQVQYGLXKK-FNZWTVRRSA-N 0 0 575.131 3.947 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000245343426 572238606 /nfs/dbraw/zinc/23/86/06/572238606.db2.gz OQLIFHMIPKZNBN-DFBJGRDBSA-N 0 0 561.104 3.638 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000245343441 572239018 /nfs/dbraw/zinc/23/90/18/572239018.db2.gz OXPIDSKCJUZHNY-SBUREZEXSA-N 0 0 514.623 3.637 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000245343508 572238990 /nfs/dbraw/zinc/23/89/90/572238990.db2.gz QNEVSRLDXYVLJQ-DFBJGRDBSA-N 0 0 508.594 3.576 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000245343517 572238952 /nfs/dbraw/zinc/23/89/52/572238952.db2.gz QTNDEQNNRDKWJH-QYBDOPJKSA-N 0 0 571.074 3.717 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000245343541 572239030 /nfs/dbraw/zinc/23/90/30/572239030.db2.gz RGAGOTGBSQIBJW-AOMKIAJQSA-N 0 0 534.535 3.658 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000245343557 572239034 /nfs/dbraw/zinc/23/90/34/572239034.db2.gz RVPZOPNKRXNGQN-CUNXSJBXSA-N 0 0 554.713 3.602 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343623 572239445 /nfs/dbraw/zinc/23/94/45/572239445.db2.gz UHONQCRPAOVSQI-NYHFZMIOSA-N 0 0 535.428 3.946 50 0 KHAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000245343639 572239417 /nfs/dbraw/zinc/23/94/17/572239417.db2.gz UWRPLLSNNGEQRD-AHKZPQOWSA-N 0 0 506.647 3.647 50 0 KHAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(NC4=N[C@@H]5CS(=O)(=O)C[C@H]5S4)c3)C[C@@H]2C)c1 ZINC000245343649 562881614 /nfs/dbraw/zinc/88/16/14/562881614.db2.gz VCYXWCSGHJRLKN-KNXBSLHKSA-N 0 0 519.092 3.680 50 0 KHAARN Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(NC4=N[C@@H]5CS(=O)(=O)C[C@H]5S4)c3)C[C@H]2C)c1 ZINC000245343650 562881596 /nfs/dbraw/zinc/88/15/96/562881596.db2.gz VCYXWCSGHJRLKN-NPFVIJTESA-N 0 0 519.092 3.680 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000245343660 572239758 /nfs/dbraw/zinc/23/97/58/572239758.db2.gz VJGQOIPXPGGEID-XDHUDOTRSA-N 0 0 581.522 3.902 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000245343732 572239759 /nfs/dbraw/zinc/23/97/59/572239759.db2.gz YATVURCBMJLCIL-XDHUDOTRSA-N 0 0 581.522 3.902 50 0 KHAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OC)cc4OC)[C@H]3C2=O)cc1 ZINC000245391927 572240563 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Cc1c(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cnn1C ZINC000252668494 572274040 /nfs/dbraw/zinc/27/40/40/572274040.db2.gz FERIHNHMYQKFFG-HSZRJFAPSA-N 0 0 504.015 3.569 50 0 KHAARN Cc1c(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cnn1C ZINC000252668495 572274115 /nfs/dbraw/zinc/27/41/15/572274115.db2.gz FERIHNHMYQKFFG-QHCPKHFHSA-N 0 0 504.015 3.569 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252668517 572274093 /nfs/dbraw/zinc/27/40/93/572274093.db2.gz FGIDGCPFZODDIS-RUZDIDTESA-N 0 0 530.577 3.789 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252668518 572274113 /nfs/dbraw/zinc/27/41/13/572274113.db2.gz FGIDGCPFZODDIS-VWLOTQADSA-N 0 0 530.577 3.789 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000252668926 572274309 /nfs/dbraw/zinc/27/43/09/572274309.db2.gz FYKZBYNLLINCRG-DEOSSOPVSA-N 0 0 617.518 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000252668927 572274286 /nfs/dbraw/zinc/27/42/86/572274286.db2.gz FYKZBYNLLINCRG-XMMPIXPASA-N 0 0 617.518 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252668968 572274259 /nfs/dbraw/zinc/27/42/59/572274259.db2.gz GBIUGGXOGORTQW-DEOSSOPVSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252668969 572274344 /nfs/dbraw/zinc/27/43/44/572274344.db2.gz GBIUGGXOGORTQW-XMMPIXPASA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252669008 572274389 /nfs/dbraw/zinc/27/43/89/572274389.db2.gz GEADSSDEHCCAEU-AREMUKBSSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252669009 572274407 /nfs/dbraw/zinc/27/44/07/572274407.db2.gz GEADSSDEHCCAEU-SANMLTNESA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252669014 572274379 /nfs/dbraw/zinc/27/43/79/572274379.db2.gz GENPOTOBTTXZJG-AREMUKBSSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252669015 572274423 /nfs/dbraw/zinc/27/44/23/572274423.db2.gz GENPOTOBTTXZJG-SANMLTNESA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccco3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252669040 572274414 /nfs/dbraw/zinc/27/44/14/572274414.db2.gz GGRCHJMHKKFEJV-RUZDIDTESA-N 0 0 500.576 3.927 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccco3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252669041 572274425 /nfs/dbraw/zinc/27/44/25/572274425.db2.gz GGRCHJMHKKFEJV-VWLOTQADSA-N 0 0 500.576 3.927 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252669121 572274573 /nfs/dbraw/zinc/27/45/73/572274573.db2.gz GNZJUDRHUOKKDT-MUUNZHRXSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252669122 572274472 /nfs/dbraw/zinc/27/44/72/572274472.db2.gz GNZJUDRHUOKKDT-NDEPHWFRSA-N 0 0 556.640 3.961 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252669145 572274497 /nfs/dbraw/zinc/27/44/97/572274497.db2.gz GPVUSKXBAOEQJY-JOCHJYFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252669146 572274475 /nfs/dbraw/zinc/27/44/75/572274475.db2.gz GPVUSKXBAOEQJY-QFIPXVFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252669150 572274553 /nfs/dbraw/zinc/27/45/53/572274553.db2.gz GQFYQLUFLQBIFV-HHHXNRCGSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252669151 572274555 /nfs/dbraw/zinc/27/45/55/572274555.db2.gz GQFYQLUFLQBIFV-MHZLTWQESA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252669181 572274679 /nfs/dbraw/zinc/27/46/79/572274679.db2.gz GTBIOFKBSZPREX-RUZDIDTESA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252669182 572274645 /nfs/dbraw/zinc/27/46/45/572274645.db2.gz GTBIOFKBSZPREX-VWLOTQADSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252669250 572274607 /nfs/dbraw/zinc/27/46/07/572274607.db2.gz GZHVNCQXZHEMQH-HHHXNRCGSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252669251 572274686 /nfs/dbraw/zinc/27/46/86/572274686.db2.gz GZHVNCQXZHEMQH-MHZLTWQESA-N 0 0 544.629 3.977 50 0 KHAARN Cc1nn(C)cc1C=c1sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000252669268 572274712 /nfs/dbraw/zinc/27/47/12/572274712.db2.gz HANXVFDKKPDYDJ-HSZRJFAPSA-N 0 0 504.015 3.569 50 0 KHAARN Cc1nn(C)cc1C=c1sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000252669269 572274710 /nfs/dbraw/zinc/27/47/10/572274710.db2.gz HANXVFDKKPDYDJ-QHCPKHFHSA-N 0 0 504.015 3.569 50 0 KHAARN O=c1c(=Cc2ccc(N3CCOCC3)o2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000252669325 572274739 /nfs/dbraw/zinc/27/47/39/572274739.db2.gz HDVJVWRWMLOLSM-HHHXNRCGSA-N 0 0 513.594 3.887 50 0 KHAARN O=c1c(=Cc2ccc(N3CCOCC3)o2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000252669326 572274729 /nfs/dbraw/zinc/27/47/29/572274729.db2.gz HDVJVWRWMLOLSM-MHZLTWQESA-N 0 0 513.594 3.887 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252669328 572274780 /nfs/dbraw/zinc/27/47/80/572274780.db2.gz HEDXUZAXTRYPBL-FQEVSTJZSA-N 0 0 610.857 3.771 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252669329 572274784 /nfs/dbraw/zinc/27/47/84/572274784.db2.gz HEDXUZAXTRYPBL-HXUWFJFHSA-N 0 0 610.857 3.771 50 0 KHAARN CCOC(=O)COc1ccccc1C=c1sc2n(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000252669344 572274798 /nfs/dbraw/zinc/27/47/98/572274798.db2.gz HFYNWXBZIUUUDL-PMERELPUSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)COc1ccccc1C=c1sc2n(c1=O)[C@H](c1cccc(OC)c1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000252669345 572274731 /nfs/dbraw/zinc/27/47/31/572274731.db2.gz HFYNWXBZIUUUDL-SSEXGKCCSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1OC ZINC000252669347 572274742 /nfs/dbraw/zinc/27/47/42/572274742.db2.gz HGATVBOBFRRMAR-DEOSSOPVSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252669348 572274800 /nfs/dbraw/zinc/27/48/00/572274800.db2.gz HGATVBOBFRRMAR-XMMPIXPASA-N 0 0 587.492 3.977 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n21 ZINC000252669355 572274903 /nfs/dbraw/zinc/27/49/03/572274903.db2.gz HGNWDHGIMRCNPW-RUZDIDTESA-N 0 0 522.623 3.691 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n21 ZINC000252669356 572274861 /nfs/dbraw/zinc/27/48/61/572274861.db2.gz HGNWDHGIMRCNPW-VWLOTQADSA-N 0 0 522.623 3.691 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252669366 572274909 /nfs/dbraw/zinc/27/49/09/572274909.db2.gz HHPPIEGUFBTIMY-MUUNZHRXSA-N 0 0 598.633 3.755 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252669367 572274901 /nfs/dbraw/zinc/27/49/01/572274901.db2.gz HHPPIEGUFBTIMY-NDEPHWFRSA-N 0 0 598.633 3.755 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252669394 572274864 /nfs/dbraw/zinc/27/48/64/572274864.db2.gz HJXWHISNAPMYHZ-NRFANRHFSA-N 0 0 732.334 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252669395 572274824 /nfs/dbraw/zinc/27/48/24/572274824.db2.gz HJXWHISNAPMYHZ-OAQYLSRUSA-N 0 0 732.334 3.730 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OC)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252669424 572274856 /nfs/dbraw/zinc/27/48/56/572274856.db2.gz HMHGXAMYDAIVFV-AREMUKBSSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(OC)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252669425 572274843 /nfs/dbraw/zinc/27/48/43/572274843.db2.gz HMHGXAMYDAIVFV-SANMLTNESA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252669446 572274992 /nfs/dbraw/zinc/27/49/92/572274992.db2.gz HOBLHYGJUOLMIX-AREMUKBSSA-N 0 0 512.587 3.650 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252669447 572275019 /nfs/dbraw/zinc/27/50/19/572275019.db2.gz HOBLHYGJUOLMIX-SANMLTNESA-N 0 0 512.587 3.650 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000252669459 572275031 /nfs/dbraw/zinc/27/50/31/572275031.db2.gz HPGUZRNHFHMWCZ-AREMUKBSSA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000252669460 572275009 /nfs/dbraw/zinc/27/50/09/572275009.db2.gz HPGUZRNHFHMWCZ-SANMLTNESA-N 0 0 536.650 3.993 50 0 KHAARN CCOC(=O)c1ccc(-c2ccc(C=c3sc4n(c3=O)[C@H](c3ccc5c(c3)OCO5)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000252669469 572274971 /nfs/dbraw/zinc/27/49/71/572274971.db2.gz HPQIWJDHYPHYBT-HHHXNRCGSA-N 0 0 586.622 3.964 50 0 KHAARN CCOC(=O)c1ccc(-c2ccc(C=c3sc4n(c3=O)[C@@H](c3ccc5c(c3)OCO5)C(C(=O)OCC)=C(C)N=4)o2)cc1 ZINC000252669470 572274973 /nfs/dbraw/zinc/27/49/73/572274973.db2.gz HPQIWJDHYPHYBT-MHZLTWQESA-N 0 0 586.622 3.964 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000252669474 572274993 /nfs/dbraw/zinc/27/49/93/572274993.db2.gz HQLWZAAPKQUHCO-HHHXNRCGSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000252669475 572275002 /nfs/dbraw/zinc/27/50/02/572275002.db2.gz HQLWZAAPKQUHCO-MHZLTWQESA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cccs1 ZINC000252669523 572275014 /nfs/dbraw/zinc/27/50/14/572275014.db2.gz HTHJNQGWFRXMGI-FQEVSTJZSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1 ZINC000252669524 572274984 /nfs/dbraw/zinc/27/49/84/572274984.db2.gz HTHJNQGWFRXMGI-HXUWFJFHSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252669526 572275018 /nfs/dbraw/zinc/27/50/18/572275018.db2.gz HTROSEDEIVLMAZ-HHHXNRCGSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252669527 572275028 /nfs/dbraw/zinc/27/50/28/572275028.db2.gz HTROSEDEIVLMAZ-MHZLTWQESA-N 0 0 540.597 3.673 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000252669605 572275114 /nfs/dbraw/zinc/27/51/14/572275114.db2.gz IBPLJAHIHZQWFU-DEOSSOPVSA-N 0 0 522.529 3.858 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(COc4ccc(F)cc4F)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252669606 572275118 /nfs/dbraw/zinc/27/51/18/572275118.db2.gz IBPLJAHIHZQWFU-XMMPIXPASA-N 0 0 522.529 3.858 50 0 KHAARN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3ccccc3OC(C)=O)sc2=N1 ZINC000252669690 572275238 /nfs/dbraw/zinc/27/52/38/572275238.db2.gz IJTOJJUJNQGHOR-AREMUKBSSA-N 0 0 550.633 3.521 50 0 KHAARN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3ccccc3OC(C)=O)sc2=N1 ZINC000252669691 572275215 /nfs/dbraw/zinc/27/52/15/572275215.db2.gz IJTOJJUJNQGHOR-SANMLTNESA-N 0 0 550.633 3.521 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252669715 572275243 /nfs/dbraw/zinc/27/52/43/572275243.db2.gz ILPRIKGUYOUMGN-HSZRJFAPSA-N 0 0 510.637 3.537 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252669716 572275244 /nfs/dbraw/zinc/27/52/44/572275244.db2.gz ILPRIKGUYOUMGN-QHCPKHFHSA-N 0 0 510.637 3.537 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000252669720 572275231 /nfs/dbraw/zinc/27/52/31/572275231.db2.gz ILSLACGOSSTXKV-RUZDIDTESA-N 0 0 517.607 3.605 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000252669721 572275248 /nfs/dbraw/zinc/27/52/48/572275248.db2.gz ILSLACGOSSTXKV-VWLOTQADSA-N 0 0 517.607 3.605 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000252669752 572275212 /nfs/dbraw/zinc/27/52/12/572275212.db2.gz IPIXRINQXDKFAL-RUZDIDTESA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000252669753 572275213 /nfs/dbraw/zinc/27/52/13/572275213.db2.gz IPIXRINQXDKFAL-VWLOTQADSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669756 572275193 /nfs/dbraw/zinc/27/51/93/572275193.db2.gz IPSSVPSIBGLVMC-FQEVSTJZSA-N 0 0 579.494 3.648 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669757 572275378 /nfs/dbraw/zinc/27/53/78/572275378.db2.gz IPSSVPSIBGLVMC-HXUWFJFHSA-N 0 0 579.494 3.648 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252669798 572275351 /nfs/dbraw/zinc/27/53/51/572275351.db2.gz ISCUGLAMRKJUCH-HSZRJFAPSA-N 0 0 543.041 3.955 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252669799 572275369 /nfs/dbraw/zinc/27/53/69/572275369.db2.gz ISCUGLAMRKJUCH-QHCPKHFHSA-N 0 0 543.041 3.955 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252669838 572275372 /nfs/dbraw/zinc/27/53/72/572275372.db2.gz IUIKYRQBZMGGGO-GDLZYMKVSA-N 0 0 634.732 3.892 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252669839 572275366 /nfs/dbraw/zinc/27/53/66/572275366.db2.gz IUIKYRQBZMGGGO-LJAQVGFWSA-N 0 0 634.732 3.892 50 0 KHAARN CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000252669894 572275444 /nfs/dbraw/zinc/27/54/44/572275444.db2.gz IYCXXGZQKOITAP-JOCHJYFZSA-N 0 0 522.026 3.579 50 0 KHAARN CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000252669895 572275459 /nfs/dbraw/zinc/27/54/59/572275459.db2.gz IYCXXGZQKOITAP-QFIPXVFZSA-N 0 0 522.026 3.579 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000252669923 572275445 /nfs/dbraw/zinc/27/54/45/572275445.db2.gz IZVDMOAHXRITKV-SANMLTNESA-N 0 0 559.669 3.877 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000252669938 572275482 /nfs/dbraw/zinc/27/54/82/572275482.db2.gz JAWMWMZGRQFGEN-RUZDIDTESA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000252669939 572275421 /nfs/dbraw/zinc/27/54/21/572275421.db2.gz JAWMWMZGRQFGEN-VWLOTQADSA-N 0 0 522.623 3.603 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669963 572275478 /nfs/dbraw/zinc/27/54/78/572275478.db2.gz JDCHOLOMJOZNGV-HHHXNRCGSA-N 0 0 618.664 3.871 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252669964 572275450 /nfs/dbraw/zinc/27/54/50/572275450.db2.gz JDCHOLOMJOZNGV-MHZLTWQESA-N 0 0 618.664 3.871 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000252669974 572275465 /nfs/dbraw/zinc/27/54/65/572275465.db2.gz JDSMKIZORSYWDD-DEOSSOPVSA-N 0 0 529.662 3.833 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000252669975 572275446 /nfs/dbraw/zinc/27/54/46/572275446.db2.gz JDSMKIZORSYWDD-XMMPIXPASA-N 0 0 529.662 3.833 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000252670051 572275578 /nfs/dbraw/zinc/27/55/78/572275578.db2.gz JLEBEJBLYPAJAV-PMERELPUSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000252670052 572275605 /nfs/dbraw/zinc/27/56/05/572275605.db2.gz JLEBEJBLYPAJAV-SSEXGKCCSA-N 0 0 598.677 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@@H]1c1ccccc1 ZINC000252670183 572275691 /nfs/dbraw/zinc/27/56/91/572275691.db2.gz JUUZGGXITYBHHA-HSZRJFAPSA-N 0 0 519.026 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000252670184 572275679 /nfs/dbraw/zinc/27/56/79/572275679.db2.gz JUUZGGXITYBHHA-QHCPKHFHSA-N 0 0 519.026 3.946 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252670228 572275807 /nfs/dbraw/zinc/27/58/07/572275807.db2.gz JXSQBYVACLNGLD-HSZRJFAPSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252670229 572275785 /nfs/dbraw/zinc/27/57/85/572275785.db2.gz JXSQBYVACLNGLD-QHCPKHFHSA-N 0 0 603.491 3.595 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252670264 572275813 /nfs/dbraw/zinc/27/58/13/572275813.db2.gz KARUYJAXFJEJNA-DEOSSOPVSA-N 0 0 504.608 3.631 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252670265 572275850 /nfs/dbraw/zinc/27/58/50/572275850.db2.gz KARUYJAXFJEJNA-XMMPIXPASA-N 0 0 504.608 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000252670300 572275776 /nfs/dbraw/zinc/27/57/76/572275776.db2.gz KDCOOHRZUSNOOX-HSZRJFAPSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252670301 572275838 /nfs/dbraw/zinc/27/58/38/572275838.db2.gz KDCOOHRZUSNOOX-QHCPKHFHSA-N 0 0 534.615 3.906 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000252670424 572275930 /nfs/dbraw/zinc/27/59/30/572275930.db2.gz KNTVTFKUVWXTAH-HKBQPEDESA-N 0 0 628.703 3.895 50 0 KHAARN CCOC(=O)COc1ccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000252670425 572276012 /nfs/dbraw/zinc/27/60/12/572276012.db2.gz KNTVTFKUVWXTAH-WJOKGBTCSA-N 0 0 628.703 3.895 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC(C)C)cc3Cl)c(=O)n2[C@H]1c1ccc(O)c(OC)c1 ZINC000252670462 572276051 /nfs/dbraw/zinc/27/60/51/572276051.db2.gz KQNXRBAOVXRLFM-DEOSSOPVSA-N 0 0 559.040 3.572 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC(C)C)cc3Cl)c(=O)n2[C@@H]1c1ccc(O)c(OC)c1 ZINC000252670463 572276055 /nfs/dbraw/zinc/27/60/55/572276055.db2.gz KQNXRBAOVXRLFM-XMMPIXPASA-N 0 0 559.040 3.572 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cccs1 ZINC000252670512 572276050 /nfs/dbraw/zinc/27/60/50/572276050.db2.gz KVZGZTGPRGHDQC-RUZDIDTESA-N 0 0 530.627 3.768 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cccs1 ZINC000252670513 572276064 /nfs/dbraw/zinc/27/60/64/572276064.db2.gz KVZGZTGPRGHDQC-VWLOTQADSA-N 0 0 530.627 3.768 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252670518 572276061 /nfs/dbraw/zinc/27/60/61/572276061.db2.gz KWEIIYZSZFDIDL-HSZRJFAPSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252670519 572276036 /nfs/dbraw/zinc/27/60/36/572276036.db2.gz KWEIIYZSZFDIDL-QHCPKHFHSA-N 0 0 573.465 3.587 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252670536 572276171 /nfs/dbraw/zinc/27/61/71/572276171.db2.gz KXQQMSUAEOXLQI-HSZRJFAPSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252670537 572276118 /nfs/dbraw/zinc/27/61/18/572276118.db2.gz KXQQMSUAEOXLQI-QHCPKHFHSA-N 0 0 573.465 3.674 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccccc1 ZINC000252670578 572276139 /nfs/dbraw/zinc/27/61/39/572276139.db2.gz LBMMBLHHCXPUHB-JOCHJYFZSA-N 0 0 523.639 3.754 50 0 KHAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000252670579 572276148 /nfs/dbraw/zinc/27/61/48/572276148.db2.gz LBMMBLHHCXPUHB-QFIPXVFZSA-N 0 0 523.639 3.754 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252670613 572276163 /nfs/dbraw/zinc/27/61/63/572276163.db2.gz LDGCVWUULGWOLA-AREMUKBSSA-N 0 0 528.634 3.609 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252670614 572276173 /nfs/dbraw/zinc/27/61/73/572276173.db2.gz LDGCVWUULGWOLA-SANMLTNESA-N 0 0 528.634 3.609 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000252670786 572276317 /nfs/dbraw/zinc/27/63/17/572276317.db2.gz LRXHVPZVNRCHNZ-MUUNZHRXSA-N 0 0 578.687 3.872 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000252670787 572276378 /nfs/dbraw/zinc/27/63/78/572276378.db2.gz LRXHVPZVNRCHNZ-NDEPHWFRSA-N 0 0 578.687 3.872 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC(=O)c4ccco4)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252670852 572276332 /nfs/dbraw/zinc/27/63/32/572276332.db2.gz LVXSFNIBXHPJSK-DEOSSOPVSA-N 0 0 514.559 3.611 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC(=O)c4ccco4)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252670853 572276366 /nfs/dbraw/zinc/27/63/66/572276366.db2.gz LVXSFNIBXHPJSK-XMMPIXPASA-N 0 0 514.559 3.611 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccccc1 ZINC000252670870 572276319 /nfs/dbraw/zinc/27/63/19/572276319.db2.gz LXDAVPATWCRQBG-HSZRJFAPSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccccc1 ZINC000252670871 572276394 /nfs/dbraw/zinc/27/63/94/572276394.db2.gz LXDAVPATWCRQBG-QHCPKHFHSA-N 0 0 557.466 3.968 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252670923 572276460 /nfs/dbraw/zinc/27/64/60/572276460.db2.gz MCBGOBDNVSMAAK-HHHXNRCGSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252670924 572276487 /nfs/dbraw/zinc/27/64/87/572276487.db2.gz MCBGOBDNVSMAAK-MHZLTWQESA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252670972 572276506 /nfs/dbraw/zinc/27/65/06/572276506.db2.gz MGBNKMXIRKEXOE-RUZDIDTESA-N 0 0 517.607 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252670973 572276501 /nfs/dbraw/zinc/27/65/01/572276501.db2.gz MGBNKMXIRKEXOE-VWLOTQADSA-N 0 0 517.607 3.619 50 0 KHAARN CCCOc1ccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252670978 572276512 /nfs/dbraw/zinc/27/65/12/572276512.db2.gz MGEZGEJFLUYTEJ-RUZDIDTESA-N 0 0 536.650 3.994 50 0 KHAARN CCCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252670979 572276500 /nfs/dbraw/zinc/27/65/00/572276500.db2.gz MGEZGEJFLUYTEJ-VWLOTQADSA-N 0 0 536.650 3.994 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252670998 572276490 /nfs/dbraw/zinc/27/64/90/572276490.db2.gz MHXHIHIOFQFPEF-RUZDIDTESA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252670999 572276488 /nfs/dbraw/zinc/27/64/88/572276488.db2.gz MHXHIHIOFQFPEF-VWLOTQADSA-N 0 0 544.585 3.619 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n21 ZINC000252671082 572276610 /nfs/dbraw/zinc/27/66/10/572276610.db2.gz MQNZMTISKMRFHX-RUZDIDTESA-N 0 0 506.624 3.904 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(C)c(OC)c3)c(=O)n21 ZINC000252671083 572276607 /nfs/dbraw/zinc/27/66/07/572276607.db2.gz MQNZMTISKMRFHX-VWLOTQADSA-N 0 0 506.624 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252671124 572276549 /nfs/dbraw/zinc/27/65/49/572276549.db2.gz MTDAWIVGAOHLFQ-AREMUKBSSA-N 0 0 531.634 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252671125 572276604 /nfs/dbraw/zinc/27/66/04/572276604.db2.gz MTDAWIVGAOHLFQ-SANMLTNESA-N 0 0 531.634 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252671205 572276722 /nfs/dbraw/zinc/27/67/22/572276722.db2.gz MYZQLTVIUIPLSE-JOCHJYFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252671206 572276709 /nfs/dbraw/zinc/27/67/09/572276709.db2.gz MYZQLTVIUIPLSE-QFIPXVFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252671266 572276800 /nfs/dbraw/zinc/27/68/00/572276800.db2.gz NDDCWVBCVPCHKE-RUZDIDTESA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252671268 572276864 /nfs/dbraw/zinc/27/68/64/572276864.db2.gz NDDCWVBCVPCHKE-VWLOTQADSA-N 0 0 544.585 3.619 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000252671341 572276852 /nfs/dbraw/zinc/27/68/52/572276852.db2.gz NHCWQCRPPVUVER-HHHXNRCGSA-N 0 0 612.754 3.677 50 0 KHAARN N=C1C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C(S(=O)(=O)c2ccccc2)=c2sc(=Cc3ccccc3)c(=O)n21 ZINC000252671343 572276807 /nfs/dbraw/zinc/27/68/07/572276807.db2.gz NHCWQCRPPVUVER-MHZLTWQESA-N 0 0 612.754 3.677 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000252671410 572276805 /nfs/dbraw/zinc/27/68/05/572276805.db2.gz NJQLGONSMNQTMM-DEOSSOPVSA-N 0 0 557.024 3.586 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000252671411 572276857 /nfs/dbraw/zinc/27/68/57/572276857.db2.gz NJQLGONSMNQTMM-XMMPIXPASA-N 0 0 557.024 3.586 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000252671527 572276855 /nfs/dbraw/zinc/27/68/55/572276855.db2.gz NKYCFKVUGUWAIV-JOCHJYFZSA-N 0 0 557.466 3.974 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000252671528 572276862 /nfs/dbraw/zinc/27/68/62/572276862.db2.gz NKYCFKVUGUWAIV-QFIPXVFZSA-N 0 0 557.466 3.974 50 0 KHAARN CCOc1cc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000252671532 572276792 /nfs/dbraw/zinc/27/67/92/572276792.db2.gz NLDCBXFOTOHRGE-HHHXNRCGSA-N 0 0 541.629 3.987 50 0 KHAARN CCOc1cc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000252671533 572276928 /nfs/dbraw/zinc/27/69/28/572276928.db2.gz NLDCBXFOTOHRGE-MHZLTWQESA-N 0 0 541.629 3.987 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252671632 572277006 /nfs/dbraw/zinc/27/70/06/572277006.db2.gz NVHCGJYYIFFKON-MUUNZHRXSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252671633 572277087 /nfs/dbraw/zinc/27/70/87/572277087.db2.gz NVHCGJYYIFFKON-NDEPHWFRSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000252671647 572276993 /nfs/dbraw/zinc/27/69/93/572276993.db2.gz NWCATMGOOWODBY-IBGZPJMESA-N 0 0 596.468 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000252671648 572277073 /nfs/dbraw/zinc/27/70/73/572277073.db2.gz NWCATMGOOWODBY-LJQANCHMSA-N 0 0 596.468 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252671677 572277062 /nfs/dbraw/zinc/27/70/62/572277062.db2.gz NYIWPUYLSSMYCX-IBGZPJMESA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252671678 572277001 /nfs/dbraw/zinc/27/70/01/572277001.db2.gz NYIWPUYLSSMYCX-LJQANCHMSA-N 0 0 519.442 3.631 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252671731 572277198 /nfs/dbraw/zinc/27/71/98/572277198.db2.gz OBOMQHBXQPCFBE-NRFANRHFSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252671732 572277203 /nfs/dbraw/zinc/27/72/03/572277203.db2.gz OBOMQHBXQPCFBE-OAQYLSRUSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252671746 572277133 /nfs/dbraw/zinc/27/71/33/572277133.db2.gz OCRJLNHSESZFBE-HSZRJFAPSA-N 0 0 543.041 3.868 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252671747 572277191 /nfs/dbraw/zinc/27/71/91/572277191.db2.gz OCRJLNHSESZFBE-QHCPKHFHSA-N 0 0 543.041 3.868 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1/C=C\c1ccccc1 ZINC000252671831 572277126 /nfs/dbraw/zinc/27/71/26/572277126.db2.gz OJXJFHGWKNZSAB-HIJHXNQBSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000252671832 572277255 /nfs/dbraw/zinc/27/72/55/572277255.db2.gz OJXJFHGWKNZSAB-KHCKSBRHSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1/C=C\c1ccccc1 ZINC000252671833 572277270 /nfs/dbraw/zinc/27/72/70/572277270.db2.gz OJXJFHGWKNZSAB-OUAOKIMTSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000252671834 572277257 /nfs/dbraw/zinc/27/72/57/572277257.db2.gz OJXJFHGWKNZSAB-WTFXNLSXSA-N 0 0 532.618 3.787 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000252671851 572277271 /nfs/dbraw/zinc/27/72/71/572277271.db2.gz OKZRRKMKBWJCBC-HHHXNRCGSA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000252671852 572277282 /nfs/dbraw/zinc/27/72/82/572277282.db2.gz OKZRRKMKBWJCBC-MHZLTWQESA-N 0 0 544.629 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252671861 572277280 /nfs/dbraw/zinc/27/72/80/572277280.db2.gz OLXZEAZGVOQUOE-HSZRJFAPSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252671862 572277296 /nfs/dbraw/zinc/27/72/96/572277296.db2.gz OLXZEAZGVOQUOE-QHCPKHFHSA-N 0 0 603.491 3.595 50 0 KHAARN Cc1nnc(N=c2sc(C)nn2C(c2ccccc2)n2nc(C)sc2=Nc2nnc(C)s2)s1 ZINC000252671931 572277295 /nfs/dbraw/zinc/27/72/95/572277295.db2.gz OQBYHEWGSAESBR-UHFFFAOYSA-N 0 0 514.691 3.699 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252671943 572277397 /nfs/dbraw/zinc/27/73/97/572277397.db2.gz ORICOPRAVTZIOG-HHHXNRCGSA-N 0 0 664.534 3.856 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252671944 572277394 /nfs/dbraw/zinc/27/73/94/572277394.db2.gz ORICOPRAVTZIOG-MHZLTWQESA-N 0 0 664.534 3.856 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252671990 572277415 /nfs/dbraw/zinc/27/74/15/572277415.db2.gz OVGVMOCFORTJIA-RUZDIDTESA-N 0 0 521.639 3.780 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252671991 572277380 /nfs/dbraw/zinc/27/73/80/572277380.db2.gz OVGVMOCFORTJIA-VWLOTQADSA-N 0 0 521.639 3.780 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Cl)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000252672028 572277409 /nfs/dbraw/zinc/27/74/09/572277409.db2.gz OYTQPLBIKILYHN-DEOSSOPVSA-N 0 0 543.041 3.786 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000252672029 572277416 /nfs/dbraw/zinc/27/74/16/572277416.db2.gz OYTQPLBIKILYHN-XMMPIXPASA-N 0 0 543.041 3.786 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252672030 572277418 /nfs/dbraw/zinc/27/74/18/572277418.db2.gz OYUDGGIUZIFFNP-HSZRJFAPSA-N 0 0 513.015 3.859 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252672031 572277419 /nfs/dbraw/zinc/27/74/19/572277419.db2.gz OYUDGGIUZIFFNP-QHCPKHFHSA-N 0 0 513.015 3.859 50 0 KHAARN CCn1cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000252672096 572277479 /nfs/dbraw/zinc/27/74/79/572277479.db2.gz PGAARGUUXBVQLH-AREMUKBSSA-N 0 0 527.650 3.716 50 0 KHAARN CCn1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000252672097 572277529 /nfs/dbraw/zinc/27/75/29/572277529.db2.gz PGAARGUUXBVQLH-SANMLTNESA-N 0 0 527.650 3.716 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252672139 572277487 /nfs/dbraw/zinc/27/74/87/572277487.db2.gz PILIPORTTPKCQO-AREMUKBSSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252672140 572277512 /nfs/dbraw/zinc/27/75/12/572277512.db2.gz PILIPORTTPKCQO-SANMLTNESA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)Cn1c(C)c(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252672183 572277621 /nfs/dbraw/zinc/27/76/21/572277621.db2.gz PMAQJRHBKWXYAB-RUZDIDTESA-N 0 0 549.674 3.686 50 0 KHAARN CCOC(=O)Cn1c(C)c(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252672184 572277614 /nfs/dbraw/zinc/27/76/14/572277614.db2.gz PMAQJRHBKWXYAB-VWLOTQADSA-N 0 0 549.674 3.686 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000252672201 572277626 /nfs/dbraw/zinc/27/76/26/572277626.db2.gz PNKBTZXVWBDLDA-HSZRJFAPSA-N 0 0 634.492 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000252672202 572277604 /nfs/dbraw/zinc/27/76/04/572277604.db2.gz PNKBTZXVWBDLDA-QHCPKHFHSA-N 0 0 634.492 3.904 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3Br)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252672281 572277710 /nfs/dbraw/zinc/27/77/10/572277710.db2.gz PUTBNUIHQILZIG-JOCHJYFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3Br)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252672282 572277716 /nfs/dbraw/zinc/27/77/16/572277716.db2.gz PUTBNUIHQILZIG-QFIPXVFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252672329 572277721 /nfs/dbraw/zinc/27/77/21/572277721.db2.gz PXTZYKZMYDVBHH-FQEVSTJZSA-N 0 0 669.291 3.600 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252672330 572277719 /nfs/dbraw/zinc/27/77/19/572277719.db2.gz PXTZYKZMYDVBHH-HXUWFJFHSA-N 0 0 669.291 3.600 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OCC)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000252672378 572277810 /nfs/dbraw/zinc/27/78/10/572277810.db2.gz QBKGUJVZBUZVMZ-NRFANRHFSA-N 0 0 543.439 3.665 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OCC)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000252672379 572277818 /nfs/dbraw/zinc/27/78/18/572277818.db2.gz QBKGUJVZBUZVMZ-OAQYLSRUSA-N 0 0 543.439 3.665 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]c5ccccc54)c(=O)n32)cc1 ZINC000252672385 572277842 /nfs/dbraw/zinc/27/78/42/572277842.db2.gz QBSQMOGYCJZKSP-RUZDIDTESA-N 0 0 501.608 3.985 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[nH]c5ccccc54)c(=O)n32)cc1 ZINC000252672386 572277834 /nfs/dbraw/zinc/27/78/34/572277834.db2.gz QBSQMOGYCJZKSP-VWLOTQADSA-N 0 0 501.608 3.985 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252672587 572277939 /nfs/dbraw/zinc/27/79/39/572277939.db2.gz QGQQNEJRUOPPLL-AREMUKBSSA-N 0 0 558.612 3.854 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252672588 572277930 /nfs/dbraw/zinc/27/79/30/572277930.db2.gz QGQQNEJRUOPPLL-SANMLTNESA-N 0 0 558.612 3.854 50 0 KHAARN COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000252672600 572277947 /nfs/dbraw/zinc/27/79/47/572277947.db2.gz QHXLTHUTIPJGCL-UHFFFAOYSA-N 0 0 556.021 3.845 50 0 KHAARN COc1cc(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000252672601 572277945 /nfs/dbraw/zinc/27/79/45/572277945.db2.gz QHZXPLFFWZBTKY-DEOSSOPVSA-N 0 0 541.025 3.774 50 0 KHAARN COc1cc(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OC(C)=O ZINC000252672602 572277960 /nfs/dbraw/zinc/27/79/60/572277960.db2.gz QHZXPLFFWZBTKY-XMMPIXPASA-N 0 0 541.025 3.774 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3c(F)cccc3Cl)sc2=C(C(=O)OC(C)C)[C@H]1c1c(F)cccc1Cl ZINC000252672725 572277936 /nfs/dbraw/zinc/27/79/36/572277936.db2.gz QKINPFDNMDQMDX-FQEVSTJZSA-N 0 0 595.451 3.914 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3c(F)cccc3Cl)sc2=C(C(=O)OC(C)C)[C@@H]1c1c(F)cccc1Cl ZINC000252672726 572277948 /nfs/dbraw/zinc/27/79/48/572277948.db2.gz QKINPFDNMDQMDX-HXUWFJFHSA-N 0 0 595.451 3.914 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252672736 572277962 /nfs/dbraw/zinc/27/79/62/572277962.db2.gz QLBJIOUCDVEMPM-HHHXNRCGSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252672737 572277916 /nfs/dbraw/zinc/27/79/16/572277916.db2.gz QLBJIOUCDVEMPM-MHZLTWQESA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000252673062 572278088 /nfs/dbraw/zinc/27/80/88/572278088.db2.gz QVMFUNWXHFCFAW-HSZRJFAPSA-N 0 0 555.450 3.795 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000252673063 572278043 /nfs/dbraw/zinc/27/80/43/572278043.db2.gz QVMFUNWXHFCFAW-QHCPKHFHSA-N 0 0 555.450 3.795 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252673071 572278144 /nfs/dbraw/zinc/27/81/44/572278144.db2.gz QWPWUGFPQUSOFT-NRFANRHFSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252673072 572278179 /nfs/dbraw/zinc/27/81/79/572278179.db2.gz QWPWUGFPQUSOFT-OAQYLSRUSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252673322 572278197 /nfs/dbraw/zinc/27/81/97/572278197.db2.gz QZPXRRDGXKJUNP-AREMUKBSSA-N 0 0 542.588 3.861 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252673323 572278195 /nfs/dbraw/zinc/27/81/95/572278195.db2.gz QZPXRRDGXKJUNP-SANMLTNESA-N 0 0 542.588 3.861 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000252673334 572278145 /nfs/dbraw/zinc/27/81/45/572278145.db2.gz RANOSSAWJOCYBY-FQEVSTJZSA-N 0 0 501.402 3.887 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000252673335 572278178 /nfs/dbraw/zinc/27/81/78/572278178.db2.gz RANOSSAWJOCYBY-HXUWFJFHSA-N 0 0 501.402 3.887 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252673648 572278252 /nfs/dbraw/zinc/27/82/52/572278252.db2.gz RHJKBITXMMEOLZ-MUUNZHRXSA-N 0 0 554.624 3.981 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252673649 572278258 /nfs/dbraw/zinc/27/82/58/572278258.db2.gz RHJKBITXMMEOLZ-NDEPHWFRSA-N 0 0 554.624 3.981 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000252673674 572278413 /nfs/dbraw/zinc/27/84/13/572278413.db2.gz RIUJPXNAPVQPIW-HSZRJFAPSA-N 0 0 508.621 3.557 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000252673675 572278371 /nfs/dbraw/zinc/27/83/71/572278371.db2.gz RIUJPXNAPVQPIW-QHCPKHFHSA-N 0 0 508.621 3.557 50 0 KHAARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cc(OCC)c(OC)cc4Br)c(=O)n32)ccc1O ZINC000252673704 572278414 /nfs/dbraw/zinc/27/84/14/572278414.db2.gz RLBMQMCUXWIMLT-DEOSSOPVSA-N 0 0 603.491 3.682 50 0 KHAARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=c3sc(=Cc4cc(OCC)c(OC)cc4Br)c(=O)n32)ccc1O ZINC000252673705 572278436 /nfs/dbraw/zinc/27/84/36/572278436.db2.gz RLBMQMCUXWIMLT-XMMPIXPASA-N 0 0 603.491 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000252673928 572278364 /nfs/dbraw/zinc/27/83/64/572278364.db2.gz RNFSNHPNIGPEFW-RUZDIDTESA-N 0 0 506.624 3.903 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)C)cc3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000252673929 572278387 /nfs/dbraw/zinc/27/83/87/572278387.db2.gz RNFSNHPNIGPEFW-VWLOTQADSA-N 0 0 506.624 3.903 50 0 KHAARN CC(=O)Oc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000252673938 572278383 /nfs/dbraw/zinc/27/83/83/572278383.db2.gz ROJWTSCJXDYKFN-HSZRJFAPSA-N 0 0 510.999 3.766 50 0 KHAARN CC(=O)Oc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000252673939 572278389 /nfs/dbraw/zinc/27/83/89/572278389.db2.gz ROJWTSCJXDYKFN-QHCPKHFHSA-N 0 0 510.999 3.766 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252673969 572278507 /nfs/dbraw/zinc/27/85/07/572278507.db2.gz RRWICSAOEFNTFJ-GDLZYMKVSA-N 0 0 585.682 3.764 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252673970 572278483 /nfs/dbraw/zinc/27/84/83/572278483.db2.gz RRWICSAOEFNTFJ-LJAQVGFWSA-N 0 0 585.682 3.764 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000252673977 572278530 /nfs/dbraw/zinc/27/85/30/572278530.db2.gz RSFXNDGBQIKNHZ-FQEVSTJZSA-N 0 0 547.452 3.548 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000252673978 572278491 /nfs/dbraw/zinc/27/84/91/572278491.db2.gz RSFXNDGBQIKNHZ-HXUWFJFHSA-N 0 0 547.452 3.548 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252673992 572278497 /nfs/dbraw/zinc/27/84/97/572278497.db2.gz RSVAVRYPELUSOI-AREMUKBSSA-N 0 0 551.665 3.789 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252673993 572278533 /nfs/dbraw/zinc/27/85/33/572278533.db2.gz RSVAVRYPELUSOI-SANMLTNESA-N 0 0 551.665 3.789 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252673994 572278471 /nfs/dbraw/zinc/27/84/71/572278471.db2.gz RTGVNSJVPGCCRD-HHHXNRCGSA-N 0 0 542.613 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3C)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252673995 572278515 /nfs/dbraw/zinc/27/85/15/572278515.db2.gz RTGVNSJVPGCCRD-MHZLTWQESA-N 0 0 542.613 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC(=O)c4ccco4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252674005 572278486 /nfs/dbraw/zinc/27/84/86/572278486.db2.gz RTTMIYJZOADHDQ-RUZDIDTESA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC(=O)c4ccco4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252674006 572278513 /nfs/dbraw/zinc/27/85/13/572278513.db2.gz RTTMIYJZOADHDQ-VWLOTQADSA-N 0 0 544.585 3.619 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252674208 572278485 /nfs/dbraw/zinc/27/84/85/572278485.db2.gz RVBOZFAVEAGAAL-FQEVSTJZSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252674210 572278517 /nfs/dbraw/zinc/27/85/17/572278517.db2.gz RVBOZFAVEAGAAL-HXUWFJFHSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252674223 572278478 /nfs/dbraw/zinc/27/84/78/572278478.db2.gz RVJKRLYWRLIYFW-DEOSSOPVSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252674225 572278470 /nfs/dbraw/zinc/27/84/70/572278470.db2.gz RVJKRLYWRLIYFW-XMMPIXPASA-N 0 0 587.492 3.977 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000252674246 572278521 /nfs/dbraw/zinc/27/85/21/572278521.db2.gz RVNVENBWCVRXGW-AREMUKBSSA-N 0 0 511.603 3.891 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000252674248 572278496 /nfs/dbraw/zinc/27/84/96/572278496.db2.gz RVNVENBWCVRXGW-SANMLTNESA-N 0 0 511.603 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252674282 572278578 /nfs/dbraw/zinc/27/85/78/572278578.db2.gz RYLRNKIDVVTOMW-JOCHJYFZSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(I)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252674283 572278587 /nfs/dbraw/zinc/27/85/87/572278587.db2.gz RYLRNKIDVVTOMW-QFIPXVFZSA-N 0 0 590.439 3.507 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000252674293 572278606 /nfs/dbraw/zinc/27/86/06/572278606.db2.gz RZPIPOUMOJPFJU-HSZRJFAPSA-N 0 0 510.637 3.537 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000252674294 572278626 /nfs/dbraw/zinc/27/86/26/572278626.db2.gz RZPIPOUMOJPFJU-QHCPKHFHSA-N 0 0 510.637 3.537 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252674410 572278584 /nfs/dbraw/zinc/27/85/84/572278584.db2.gz SBBZIDLIOSRRPD-HHHXNRCGSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252674411 572278634 /nfs/dbraw/zinc/27/86/34/572278634.db2.gz SBBZIDLIOSRRPD-MHZLTWQESA-N 0 0 588.638 3.862 50 0 KHAARN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=N1 ZINC000252674475 572278710 /nfs/dbraw/zinc/27/87/10/572278710.db2.gz SEPDSGADSGMUGL-DEOSSOPVSA-N 0 0 522.623 3.604 50 0 KHAARN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3cccc(OC)c3OC)sc2=N1 ZINC000252674478 572278692 /nfs/dbraw/zinc/27/86/92/572278692.db2.gz SEPDSGADSGMUGL-XMMPIXPASA-N 0 0 522.623 3.604 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252674510 572278695 /nfs/dbraw/zinc/27/86/95/572278695.db2.gz SFRAVVGPIREZCO-AREMUKBSSA-N 0 0 574.611 3.628 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252674513 572278722 /nfs/dbraw/zinc/27/87/22/572278722.db2.gz SFRAVVGPIREZCO-SANMLTNESA-N 0 0 574.611 3.628 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000252674715 572278699 /nfs/dbraw/zinc/27/86/99/572278699.db2.gz SJVSIXCQMZTHDY-AREMUKBSSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000252674716 572278736 /nfs/dbraw/zinc/27/87/36/572278736.db2.gz SJVSIXCQMZTHDY-SANMLTNESA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252674727 572278687 /nfs/dbraw/zinc/27/86/87/572278687.db2.gz SKHSORVHGNHLNL-DEOSSOPVSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OCC)c(OC)cc3Br)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252674728 572278713 /nfs/dbraw/zinc/27/87/13/572278713.db2.gz SKHSORVHGNHLNL-XMMPIXPASA-N 0 0 587.492 3.977 50 0 KHAARN COc1ccc(S(=O)(=O)Oc2ccc(C=c3sc4nc5ccccc5n4c3=O)cc2Br)cc1 ZINC000252674755 572278872 /nfs/dbraw/zinc/27/88/72/572278872.db2.gz SLZAJYHBJSLAEA-UHFFFAOYSA-N 0 0 543.420 3.996 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252674768 572278877 /nfs/dbraw/zinc/27/88/77/572278877.db2.gz SMNRSUVYAUPXIV-DEOSSOPVSA-N 0 0 603.491 3.595 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3Br)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252674769 572278890 /nfs/dbraw/zinc/27/88/90/572278890.db2.gz SMNRSUVYAUPXIV-XMMPIXPASA-N 0 0 603.491 3.595 50 0 KHAARN CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000252674771 572278817 /nfs/dbraw/zinc/27/88/17/572278817.db2.gz SMVLILKCXNRRME-HSZRJFAPSA-N 0 0 634.492 3.906 50 0 KHAARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n21 ZINC000252674772 572278897 /nfs/dbraw/zinc/27/88/97/572278897.db2.gz SMVLILKCXNRRME-QHCPKHFHSA-N 0 0 634.492 3.906 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252675013 572278891 /nfs/dbraw/zinc/27/88/91/572278891.db2.gz SQMANVZIACNFHD-MUUNZHRXSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252675014 572278884 /nfs/dbraw/zinc/27/88/84/572278884.db2.gz SQMANVZIACNFHD-NDEPHWFRSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252675060 572278953 /nfs/dbraw/zinc/27/89/53/572278953.db2.gz SUKFWAXOMXHPFT-HSZRJFAPSA-N 0 0 504.999 3.842 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252675061 572278996 /nfs/dbraw/zinc/27/89/96/572278996.db2.gz SUKFWAXOMXHPFT-QHCPKHFHSA-N 0 0 504.999 3.842 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000252675107 572278907 /nfs/dbraw/zinc/27/89/07/572278907.db2.gz SZGBQXBZAZKKGS-FQEVSTJZSA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000252675308 572279019 /nfs/dbraw/zinc/27/90/19/572279019.db2.gz SZGBQXBZAZKKGS-HXUWFJFHSA-N 0 0 533.831 3.920 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1 ZINC000252675332 572279118 /nfs/dbraw/zinc/27/91/18/572279118.db2.gz TUFKKRVWKDFJCK-NRFANRHFSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccccc1 ZINC000252675333 572279039 /nfs/dbraw/zinc/27/90/39/572279039.db2.gz TUFKKRVWKDFJCK-OAQYLSRUSA-N 0 0 513.413 3.569 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252675347 572279047 /nfs/dbraw/zinc/27/90/47/572279047.db2.gz TVDCQWPRXGPIFZ-HHHXNRCGSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252675348 572279112 /nfs/dbraw/zinc/27/91/12/572279112.db2.gz TVDCQWPRXGPIFZ-MHZLTWQESA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000252675363 562881792 /nfs/dbraw/zinc/88/17/92/562881792.db2.gz TWRQYHXJMWFTIE-JOCHJYFZSA-N 0 0 593.883 3.937 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000252675364 562881774 /nfs/dbraw/zinc/88/17/74/562881774.db2.gz TWRQYHXJMWFTIE-QFIPXVFZSA-N 0 0 593.883 3.937 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000252675379 572279076 /nfs/dbraw/zinc/27/90/76/572279076.db2.gz TXTDUYJAYZROHX-SANMLTNESA-N 0 0 511.603 3.891 50 0 KHAARN COC(=O)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000252675469 572279191 /nfs/dbraw/zinc/27/91/91/572279191.db2.gz UCHGPHNXOCDKOS-VWLOTQADSA-N 0 0 527.577 3.800 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)[nH]c3C)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000252675522 572279243 /nfs/dbraw/zinc/27/92/43/572279243.db2.gz UGPGYPGGESDJSW-RUZDIDTESA-N 0 0 501.608 3.905 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)[nH]c3C)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000252675523 572279140 /nfs/dbraw/zinc/27/91/40/572279140.db2.gz UGPGYPGGESDJSW-VWLOTQADSA-N 0 0 501.608 3.905 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n21 ZINC000252675558 572279167 /nfs/dbraw/zinc/27/91/67/572279167.db2.gz UJEQFEJDBPXJDP-DEOSSOPVSA-N 0 0 522.623 3.604 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3cccc(OC)c3)c(=O)n21 ZINC000252675559 572279165 /nfs/dbraw/zinc/27/91/65/572279165.db2.gz UJEQFEJDBPXJDP-XMMPIXPASA-N 0 0 522.623 3.604 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252675562 572279197 /nfs/dbraw/zinc/27/91/97/572279197.db2.gz UJOIYBVJZVJRDT-HSZRJFAPSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252675563 572279330 /nfs/dbraw/zinc/27/93/30/572279330.db2.gz UJOIYBVJZVJRDT-QHCPKHFHSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252675564 572279320 /nfs/dbraw/zinc/27/93/20/572279320.db2.gz UJSYMKCEAZQHFK-MUUNZHRXSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252675565 572279285 /nfs/dbraw/zinc/27/92/85/572279285.db2.gz UJSYMKCEAZQHFK-NDEPHWFRSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252675589 572279259 /nfs/dbraw/zinc/27/92/59/572279259.db2.gz ULQMZQPMYZJURD-AREMUKBSSA-N 0 0 515.635 3.997 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252675590 572279247 /nfs/dbraw/zinc/27/92/47/572279247.db2.gz ULQMZQPMYZJURD-SANMLTNESA-N 0 0 515.635 3.997 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(C(C)C)cc1 ZINC000252675623 572279354 /nfs/dbraw/zinc/27/93/54/572279354.db2.gz UOCGVQLJQAZWGC-DEOSSOPVSA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(C(C)C)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(C(C)C)cc1 ZINC000252675624 572279360 /nfs/dbraw/zinc/27/93/60/572279360.db2.gz UOCGVQLJQAZWGC-XMMPIXPASA-N 0 0 546.689 3.797 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000252675681 572279455 /nfs/dbraw/zinc/27/94/55/572279455.db2.gz UTARTCIZXYBSOB-MUUNZHRXSA-N 0 0 616.692 3.979 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000252675682 572279465 /nfs/dbraw/zinc/27/94/65/572279465.db2.gz UTARTCIZXYBSOB-NDEPHWFRSA-N 0 0 616.692 3.979 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252675700 572279420 /nfs/dbraw/zinc/27/94/20/572279420.db2.gz UUHVDKLPINKQBB-RUZDIDTESA-N 0 0 516.598 3.740 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252675701 572279423 /nfs/dbraw/zinc/27/94/23/572279423.db2.gz UUHVDKLPINKQBB-VWLOTQADSA-N 0 0 516.598 3.740 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000252675718 572279446 /nfs/dbraw/zinc/27/94/46/572279446.db2.gz UVIFFDICVLPHPJ-HHHXNRCGSA-N 0 0 571.655 3.995 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(OC)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000252675719 572279452 /nfs/dbraw/zinc/27/94/52/572279452.db2.gz UVIFFDICVLPHPJ-MHZLTWQESA-N 0 0 571.655 3.995 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000252675762 572279399 /nfs/dbraw/zinc/27/93/99/572279399.db2.gz UZIAUPDFBMNLQC-RUZDIDTESA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000252675763 572279411 /nfs/dbraw/zinc/27/94/11/572279411.db2.gz UZIAUPDFBMNLQC-VWLOTQADSA-N 0 0 506.624 3.939 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000252675779 572279445 /nfs/dbraw/zinc/27/94/45/572279445.db2.gz VAXDGQHFMIPPMD-RUZDIDTESA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000252675780 572279364 /nfs/dbraw/zinc/27/93/64/572279364.db2.gz VAXDGQHFMIPPMD-VWLOTQADSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252675823 572279548 /nfs/dbraw/zinc/27/95/48/572279548.db2.gz VEWOVZNVOTYHSB-MUUNZHRXSA-N 0 0 570.623 3.682 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252675824 572279533 /nfs/dbraw/zinc/27/95/33/572279533.db2.gz VEWOVZNVOTYHSB-NDEPHWFRSA-N 0 0 570.623 3.682 50 0 KHAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=N1 ZINC000252675825 572279477 /nfs/dbraw/zinc/27/94/77/572279477.db2.gz VEZOMBWJAZSFQB-HSZRJFAPSA-N 0 0 510.999 3.611 50 0 KHAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc4c(c3)OCCO4)sc2=N1 ZINC000252675826 572279525 /nfs/dbraw/zinc/27/95/25/572279525.db2.gz VEZOMBWJAZSFQB-QHCPKHFHSA-N 0 0 510.999 3.611 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000252675836 572279476 /nfs/dbraw/zinc/27/94/76/572279476.db2.gz VFVLHWZIYKWRLS-CLYVBNDRSA-N 0 0 574.728 3.825 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(CC(=O)N4CCCC[C@H]4C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000252675837 572279552 /nfs/dbraw/zinc/27/95/52/572279552.db2.gz VFVLHWZIYKWRLS-DNOBIOAJSA-N 0 0 574.728 3.825 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(CC(=O)N4CCCC[C@@H]4C)c4ccccc34)c(=O)n2[C@H]1c1cccs1 ZINC000252675838 572279570 /nfs/dbraw/zinc/27/95/70/572279570.db2.gz VFVLHWZIYKWRLS-MYUZEXMDSA-N 0 0 574.728 3.825 50 0 KHAARN COC(=O)C1=C(C)N=c2sc(=Cc3cn(CC(=O)N4CCCC[C@@H]4C)c4ccccc34)c(=O)n2[C@@H]1c1cccs1 ZINC000252675839 572279556 /nfs/dbraw/zinc/27/95/56/572279556.db2.gz VFVLHWZIYKWRLS-XRHLQHRESA-N 0 0 574.728 3.825 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000252675916 572279652 /nfs/dbraw/zinc/27/96/52/572279652.db2.gz VKYYINKLPBAFGQ-HSZRJFAPSA-N 0 0 513.015 3.945 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000252675917 572279639 /nfs/dbraw/zinc/27/96/39/572279639.db2.gz VKYYINKLPBAFGQ-QHCPKHFHSA-N 0 0 513.015 3.945 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252675958 572279673 /nfs/dbraw/zinc/27/96/73/572279673.db2.gz VONDJZVQGJLFTP-NRFANRHFSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252675959 572279671 /nfs/dbraw/zinc/27/96/71/572279671.db2.gz VONDJZVQGJLFTP-OAQYLSRUSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)c1cccc(F)c1C=c1sc2n(c1=O)C(N)=C(C(=O)OCC)[C@H](c1c(F)cccc1Cl)C=2Cl ZINC000252676025 572279770 /nfs/dbraw/zinc/27/97/70/572279770.db2.gz VTMQJOXBYFEVBE-IBGZPJMESA-N 0 0 581.424 3.682 50 0 KHAARN CCOC(=O)c1cccc(F)c1C=c1sc2n(c1=O)C(N)=C(C(=O)OCC)[C@@H](c1c(F)cccc1Cl)C=2Cl ZINC000252676026 572279780 /nfs/dbraw/zinc/27/97/80/572279780.db2.gz VTMQJOXBYFEVBE-LJQANCHMSA-N 0 0 581.424 3.682 50 0 KHAARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000252676061 572279742 /nfs/dbraw/zinc/27/97/42/572279742.db2.gz VWMHHFAQGILJLV-HHHXNRCGSA-N 0 0 541.629 3.987 50 0 KHAARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000252676062 572279795 /nfs/dbraw/zinc/27/97/95/572279795.db2.gz VWMHHFAQGILJLV-MHZLTWQESA-N 0 0 541.629 3.987 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n21 ZINC000252676063 572279724 /nfs/dbraw/zinc/27/97/24/572279724.db2.gz VWQLLUDYSWLLCK-JOCHJYFZSA-N 0 0 573.465 3.674 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cc(Br)ccc3O)c(=O)n21 ZINC000252676064 572279692 /nfs/dbraw/zinc/27/96/92/572279692.db2.gz VWQLLUDYSWLLCK-QFIPXVFZSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000252676100 572279732 /nfs/dbraw/zinc/27/97/32/572279732.db2.gz VZJAJXKPMDFAJV-NRFANRHFSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000252676101 572279753 /nfs/dbraw/zinc/27/97/53/572279753.db2.gz VZJAJXKPMDFAJV-OAQYLSRUSA-N 0 0 561.841 3.943 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252676157 572279863 /nfs/dbraw/zinc/27/98/63/572279863.db2.gz WEHPTVDQEYQQBK-JOCHJYFZSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252676158 572279856 /nfs/dbraw/zinc/27/98/56/572279856.db2.gz WEHPTVDQEYQQBK-QFIPXVFZSA-N 0 0 573.465 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252676322 572280127 /nfs/dbraw/zinc/28/01/27/572280127.db2.gz WTGRYZFHZMWJOO-AREMUKBSSA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252676323 572280125 /nfs/dbraw/zinc/28/01/25/572280125.db2.gz WTGRYZFHZMWJOO-SANMLTNESA-N 0 0 514.603 3.969 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252676344 572280124 /nfs/dbraw/zinc/28/01/24/572280124.db2.gz WVKNSXSHCHVBBD-JOCHJYFZSA-N 0 0 500.020 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252676345 572280119 /nfs/dbraw/zinc/28/01/19/572280119.db2.gz WVKNSXSHCHVBBD-QFIPXVFZSA-N 0 0 500.020 3.891 50 0 KHAARN CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cc(Cl)c(O)c(OCC)c3)c(=O)n21 ZINC000252676384 572280066 /nfs/dbraw/zinc/28/00/66/572280066.db2.gz WXUMATBWDJWUBY-HSZRJFAPSA-N 0 0 573.067 3.963 50 0 KHAARN CCCOc1c(OC)cccc1[C@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cc(Cl)c(O)c(OCC)c3)c(=O)n21 ZINC000252676385 572280046 /nfs/dbraw/zinc/28/00/46/572280046.db2.gz WXUMATBWDJWUBY-QHCPKHFHSA-N 0 0 573.067 3.963 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000252676400 572280104 /nfs/dbraw/zinc/28/01/04/572280104.db2.gz WYZVFVVVYLCBRU-NRFANRHFSA-N 0 0 563.857 3.928 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000252676401 572280120 /nfs/dbraw/zinc/28/01/20/572280120.db2.gz WYZVFVVVYLCBRU-OAQYLSRUSA-N 0 0 563.857 3.928 50 0 KHAARN CC(=O)Oc1c(I)cc(C=c2sc3nc4ccccc4n3c2=O)cc1I ZINC000252676426 572280210 /nfs/dbraw/zinc/28/02/10/572280210.db2.gz XBALERTTZOHLNJ-UHFFFAOYSA-N 0 0 588.164 3.591 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccnc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252676443 572280201 /nfs/dbraw/zinc/28/02/01/572280201.db2.gz XCDMOFBFQNTJSR-AREMUKBSSA-N 0 0 511.603 3.729 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccnc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252676444 572280156 /nfs/dbraw/zinc/28/01/56/572280156.db2.gz XCDMOFBFQNTJSR-SANMLTNESA-N 0 0 511.603 3.729 50 0 KHAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(N5CCCCC5)o4)c(=O)n32)cc1 ZINC000252676479 572280228 /nfs/dbraw/zinc/28/02/28/572280228.db2.gz XEPXJGDQCVLTKQ-RUZDIDTESA-N 0 0 521.639 3.779 50 0 KHAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4ccc(N5CCCCC5)o4)c(=O)n32)cc1 ZINC000252676480 572280227 /nfs/dbraw/zinc/28/02/27/572280227.db2.gz XEPXJGDQCVLTKQ-VWLOTQADSA-N 0 0 521.639 3.779 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252676501 572280234 /nfs/dbraw/zinc/28/02/34/572280234.db2.gz XGXLUHSOZUBQOY-JOCHJYFZSA-N 0 0 514.962 3.516 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252676502 572280192 /nfs/dbraw/zinc/28/01/92/572280192.db2.gz XGXLUHSOZUBQOY-QFIPXVFZSA-N 0 0 514.962 3.516 50 0 KHAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1cccc(OC)c1 ZINC000252676531 572280309 /nfs/dbraw/zinc/28/03/09/572280309.db2.gz XJFCTNQHTVBXTC-DEOSSOPVSA-N 0 0 583.691 3.771 50 0 KHAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(c2nc3ccccc3s2)[C@H]1c1cccc(OC)c1 ZINC000252676532 572280305 /nfs/dbraw/zinc/28/03/05/572280305.db2.gz XJFCTNQHTVBXTC-XMMPIXPASA-N 0 0 583.691 3.771 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1OC ZINC000252676614 572280417 /nfs/dbraw/zinc/28/04/17/572280417.db2.gz XPMGPRPGRNURSR-HSZRJFAPSA-N 0 0 547.658 3.961 50 0 KHAARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1OC ZINC000252676615 572280376 /nfs/dbraw/zinc/28/03/76/572280376.db2.gz XPMGPRPGRNURSR-QHCPKHFHSA-N 0 0 547.658 3.961 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252676648 572280426 /nfs/dbraw/zinc/28/04/26/572280426.db2.gz XRUWRTXUYNXCCY-HHHXNRCGSA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1OC ZINC000252676649 572280405 /nfs/dbraw/zinc/28/04/05/572280405.db2.gz XRUWRTXUYNXCCY-MHZLTWQESA-N 0 0 540.597 3.673 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252676652 572280425 /nfs/dbraw/zinc/28/04/25/572280425.db2.gz XRZRNVBABVRRKB-AREMUKBSSA-N 0 0 512.587 3.650 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252676653 572280387 /nfs/dbraw/zinc/28/03/87/572280387.db2.gz XRZRNVBABVRRKB-SANMLTNESA-N 0 0 512.587 3.650 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000252676920 572280523 /nfs/dbraw/zinc/28/05/23/572280523.db2.gz XVXMBYUEBCKNPG-HSZRJFAPSA-N 0 0 557.466 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000252676921 572280532 /nfs/dbraw/zinc/28/05/32/572280532.db2.gz XVXMBYUEBCKNPG-QHCPKHFHSA-N 0 0 557.466 3.886 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1 ZINC000252677090 572280500 /nfs/dbraw/zinc/28/05/00/572280500.db2.gz YCPTWMQUIQCQCS-RUZDIDTESA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1 ZINC000252677091 572280514 /nfs/dbraw/zinc/28/05/14/572280514.db2.gz YCPTWMQUIQCQCS-VWLOTQADSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000252677118 572280515 /nfs/dbraw/zinc/28/05/15/572280515.db2.gz YDSWSBIBVKRXNF-DEOSSOPVSA-N 0 0 522.623 3.523 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000252677121 572280509 /nfs/dbraw/zinc/28/05/09/572280509.db2.gz YDSWSBIBVKRXNF-XMMPIXPASA-N 0 0 522.623 3.523 50 0 KHAARN COc1cccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000252677173 572280650 /nfs/dbraw/zinc/28/06/50/572280650.db2.gz YEJNASGANIHTBI-SANMLTNESA-N 0 0 511.603 3.891 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252677400 572280734 /nfs/dbraw/zinc/28/07/34/572280734.db2.gz YPVLMBMLALLECW-DEOSSOPVSA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252677401 572280767 /nfs/dbraw/zinc/28/07/67/572280767.db2.gz YPVLMBMLALLECW-XMMPIXPASA-N 0 0 587.492 3.977 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252677411 572280738 /nfs/dbraw/zinc/28/07/38/572280738.db2.gz YQHZLKNZCBODAO-HSZRJFAPSA-N 0 0 529.014 3.565 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252677412 572280775 /nfs/dbraw/zinc/28/07/75/572280775.db2.gz YQHZLKNZCBODAO-QHCPKHFHSA-N 0 0 529.014 3.565 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000252677427 572280745 /nfs/dbraw/zinc/28/07/45/572280745.db2.gz YRVWXGATMGSNGP-FQEVSTJZSA-N 0 0 655.308 3.880 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000252677428 572280764 /nfs/dbraw/zinc/28/07/64/572280764.db2.gz YRVWXGATMGSNGP-HXUWFJFHSA-N 0 0 655.308 3.880 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252677456 572280752 /nfs/dbraw/zinc/28/07/52/572280752.db2.gz YUXSOOZNCQNJEV-AREMUKBSSA-N 0 0 528.586 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252677457 572280842 /nfs/dbraw/zinc/28/08/42/572280842.db2.gz YUXSOOZNCQNJEV-SANMLTNESA-N 0 0 528.586 3.689 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252677472 572280874 /nfs/dbraw/zinc/28/08/74/572280874.db2.gz YWJQDAMMNWFDRE-AREMUKBSSA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252677473 572280886 /nfs/dbraw/zinc/28/08/86/572280886.db2.gz YWJQDAMMNWFDRE-SANMLTNESA-N 0 0 530.602 3.674 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000252677507 572280867 /nfs/dbraw/zinc/28/08/67/572280867.db2.gz YYUFKXDNNHNVFJ-MUUNZHRXSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000252677508 572280836 /nfs/dbraw/zinc/28/08/36/572280836.db2.gz YYUFKXDNNHNVFJ-NDEPHWFRSA-N 0 0 586.666 3.970 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000252677520 572280843 /nfs/dbraw/zinc/28/08/43/572280843.db2.gz YZZNOQAIEZGNJK-RUZDIDTESA-N 0 0 539.654 3.645 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000252677521 572280839 /nfs/dbraw/zinc/28/08/39/572280839.db2.gz YZZNOQAIEZGNJK-VWLOTQADSA-N 0 0 539.654 3.645 50 0 KHAARN CCn1nc(C)c(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000252677540 572280845 /nfs/dbraw/zinc/28/08/45/572280845.db2.gz ZBGQFYOBKZQBRX-AREMUKBSSA-N 0 0 527.650 3.716 50 0 KHAARN CCn1nc(C)c(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C ZINC000252677541 572280856 /nfs/dbraw/zinc/28/08/56/572280856.db2.gz ZBGQFYOBKZQBRX-SANMLTNESA-N 0 0 527.650 3.716 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252677546 572280855 /nfs/dbraw/zinc/28/08/55/572280855.db2.gz ZBYSUTJQHBROFX-RUZDIDTESA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252677547 572280841 /nfs/dbraw/zinc/28/08/41/572280841.db2.gz ZBYSUTJQHBROFX-VWLOTQADSA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000252677568 572280947 /nfs/dbraw/zinc/28/09/47/572280947.db2.gz ZDXSRHCBFFPPMZ-HSZRJFAPSA-N 0 0 526.998 3.579 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000252677569 572280986 /nfs/dbraw/zinc/28/09/86/572280986.db2.gz ZDXSRHCBFFPPMZ-QHCPKHFHSA-N 0 0 526.998 3.579 50 0 KHAARN CCOC(=O)C1=c2sc(=Cc3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000252677595 572280977 /nfs/dbraw/zinc/28/09/77/572280977.db2.gz ZFXZKIZPNWHVCC-HHHXNRCGSA-N 0 0 652.766 3.532 50 0 KHAARN CCOC(=O)C1=c2sc(=Cc3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000252677596 572280988 /nfs/dbraw/zinc/28/09/88/572280988.db2.gz ZFXZKIZPNWHVCC-MHZLTWQESA-N 0 0 652.766 3.532 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000252677620 572280952 /nfs/dbraw/zinc/28/09/52/572280952.db2.gz ZHRMBRJTRFOMAB-RUZDIDTESA-N 0 0 500.576 3.666 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000252677621 572281025 /nfs/dbraw/zinc/28/10/25/572281025.db2.gz ZHRMBRJTRFOMAB-VWLOTQADSA-N 0 0 500.576 3.666 50 0 KHAARN CCn1cc(C=c2sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000252677711 572281072 /nfs/dbraw/zinc/28/10/72/572281072.db2.gz ZOZLEAOLXSYANB-HSZRJFAPSA-N 0 0 503.653 3.769 50 0 KHAARN CCn1cc(C=c2sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N=3)c(C)n1 ZINC000252677712 572281058 /nfs/dbraw/zinc/28/10/58/572281058.db2.gz ZOZLEAOLXSYANB-QHCPKHFHSA-N 0 0 503.653 3.769 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000252677739 572281065 /nfs/dbraw/zinc/28/10/65/572281065.db2.gz ZRHUZBDDCSJKCE-HHHXNRCGSA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000252677740 572281080 /nfs/dbraw/zinc/28/10/80/572281080.db2.gz ZRHUZBDDCSJKCE-MHZLTWQESA-N 0 0 588.638 3.862 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252677754 572281178 /nfs/dbraw/zinc/28/11/78/572281178.db2.gz ZSMYGUNCCSXOIS-FQEVSTJZSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252677755 572281177 /nfs/dbraw/zinc/28/11/77/572281177.db2.gz ZSMYGUNCCSXOIS-HXUWFJFHSA-N 0 0 549.468 3.640 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000252677805 572281168 /nfs/dbraw/zinc/28/11/68/572281168.db2.gz ZXDWMRMETRFEQU-AREMUKBSSA-N 0 0 542.613 3.658 50 0 KHAARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000252677806 572281210 /nfs/dbraw/zinc/28/12/10/572281210.db2.gz ZXDWMRMETRFEQU-SANMLTNESA-N 0 0 542.613 3.658 50 0 KHAARN Cc1c(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cnn1C ZINC000252677838 572281225 /nfs/dbraw/zinc/28/12/25/572281225.db2.gz ZZGLTCOYAKOCOL-DEOSSOPVSA-N 0 0 518.042 3.878 50 0 KHAARN Cc1c(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cnn1C ZINC000252677839 572281192 /nfs/dbraw/zinc/28/11/92/572281192.db2.gz ZZGLTCOYAKOCOL-XMMPIXPASA-N 0 0 518.042 3.878 50 0 KHAARN COc1ccc([C@@H]2[C@H](C(=O)NC[C@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000253387505 572282578 /nfs/dbraw/zinc/28/25/78/572282578.db2.gz KZIRKKWYXYDEAM-XUDRNXOJSA-N 0 0 548.592 3.588 50 0 KHAARN COc1ccc([C@@H]2[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000253387506 572282547 /nfs/dbraw/zinc/28/25/47/572282547.db2.gz KZIRKKWYXYDEAM-YCTYLWGJSA-N 0 0 548.592 3.588 50 0 KHAARN Cc1cc2c(cc1C)C(=O)C[C@H](c1cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])cc3c1OCOC3)O2 ZINC000253387714 572282659 /nfs/dbraw/zinc/28/26/59/572282659.db2.gz BHRXLMIIGHQZNI-TUHHXPBESA-N 0 0 770.884 3.581 50 0 KHAARN Cc1cc2c(cc1C)C(=O)C[C@H](c1cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])cc3c1OCOC3)O2 ZINC000253387715 572282653 /nfs/dbraw/zinc/28/26/53/572282653.db2.gz BHRXLMIIGHQZNI-XINZFJMUSA-N 0 0 770.884 3.581 50 0 KHAARN Cc1cc2c(cc1C)C(=O)C[C@H](c1cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])cc3c1OCOC3)O2 ZINC000253387716 572282649 /nfs/dbraw/zinc/28/26/49/572282649.db2.gz BHRXLMIIGHQZNI-ZGHMXWQUSA-N 0 0 770.884 3.581 50 0 KHAARN CCc1cc2c(cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000253387738 572282660 /nfs/dbraw/zinc/28/26/60/572282660.db2.gz GTZJXEKBDFHJCO-QAOSLPFDSA-N 0 0 654.621 3.521 50 0 KHAARN COc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000253387806 572282785 /nfs/dbraw/zinc/28/27/85/572282785.db2.gz SNOHKUOVOVOBSB-WLMIVILTSA-N 0 0 568.674 3.912 50 0 KHAARN Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000253388504 572282939 /nfs/dbraw/zinc/28/29/39/572282939.db2.gz MHYRXIQJRCPVSR-PDTFHCFTSA-N 0 0 502.574 3.843 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)COc1ccccc1 ZINC000253388964 572283107 /nfs/dbraw/zinc/28/31/07/572283107.db2.gz HHCPONBBVRXODZ-WTYVLRPYSA-N 0 0 507.631 3.973 50 0 KHAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388965 572283104 /nfs/dbraw/zinc/28/31/04/572283104.db2.gz HPBPIGUENFIQHE-KPURRNSFSA-N 0 0 503.668 3.972 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388966 572283227 /nfs/dbraw/zinc/28/32/27/572283227.db2.gz HPBPIGUENFIQHE-PZGXJGMVSA-N 0 0 503.668 3.972 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388975 572283186 /nfs/dbraw/zinc/28/31/86/572283186.db2.gz KZUFVSWFSMICEU-UZTOHYMASA-N 0 0 503.624 3.797 50 0 KHAARN C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388976 572283152 /nfs/dbraw/zinc/28/31/52/572283152.db2.gz KZUFVSWFSMICEU-XHCCPWGMSA-N 0 0 503.624 3.797 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000253388983 572283219 /nfs/dbraw/zinc/28/32/19/572283219.db2.gz NABLLFWQDBOTPK-AFMDSPMNSA-N 0 0 513.660 3.756 50 0 KHAARN C[C@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389010 572283233 /nfs/dbraw/zinc/28/32/33/572283233.db2.gz WGXAQJDBRZLRAY-XRHLQHRESA-N 0 0 521.614 3.937 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)Nc3ccccc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000253389031 572283155 /nfs/dbraw/zinc/28/31/55/572283155.db2.gz FEPGSYVHOPFJFK-FNZWTVRRSA-N 0 0 535.645 3.837 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000253389038 572283175 /nfs/dbraw/zinc/28/31/75/572283175.db2.gz NVLOCTGKGXZKNC-UUOWRZLLSA-N 0 0 580.629 3.614 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000253389350 572283351 /nfs/dbraw/zinc/28/33/51/572283351.db2.gz AAOYMORAPRYKSM-FNZWTVRRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000253389357 572283352 /nfs/dbraw/zinc/28/33/52/572283352.db2.gz CGUCCRHTDNPSAD-FNZWTVRRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000253389360 572283360 /nfs/dbraw/zinc/28/33/60/572283360.db2.gz CXXPSOHLGGQARF-LVXARBLLSA-N 0 0 504.631 3.745 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000253389365 572283343 /nfs/dbraw/zinc/28/33/43/572283343.db2.gz FPPGFGVETUGNCK-XDHUDOTRSA-N 0 0 529.012 3.839 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253389378 572283349 /nfs/dbraw/zinc/28/33/49/572283349.db2.gz MGBAVJJXWVEQFF-JTSKRJEESA-N 0 0 539.599 3.733 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1F ZINC000253389387 572283361 /nfs/dbraw/zinc/28/33/61/572283361.db2.gz PJHUWHWTEWUMMR-FNZWTVRRSA-N 0 0 522.621 3.884 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000253389394 572283350 /nfs/dbraw/zinc/28/33/50/572283350.db2.gz UNWUZLGGQPFFRK-SIBVEZHUSA-N 0 0 538.620 3.584 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000253389652 572283401 /nfs/dbraw/zinc/28/34/01/572283401.db2.gz KEZWIEVPXFKYQJ-CYFREDJKSA-N 0 0 513.683 3.838 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000253389673 572283391 /nfs/dbraw/zinc/28/33/91/572283391.db2.gz WVCGKUSDLRLSQY-BTYIYWSLSA-N 0 0 526.465 3.631 50 0 KHAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000253389676 572283385 /nfs/dbraw/zinc/28/33/85/572283385.db2.gz 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CCOC(=O)C=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOc1ccc(Cl)cc1 ZINC000254493720 1066847344 /nfs/dbraw/zinc/84/73/44/1066847344.db2.gz UJPHJSXKFVKPPW-UHFFFAOYSA-N 0 0 508.821 3.577 50 0 KHAARN CN=c1scc(-c2ccc(Br)s2)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000254510475 1066847333 /nfs/dbraw/zinc/84/73/33/1066847333.db2.gz AFDBFDPYYOCTMZ-UHFFFAOYSA-N 0 0 551.488 3.700 50 0 KHAARN COc1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)n(Cc3ccco3)c2=O)c(OC)c1OC ZINC000254515676 1066847297 /nfs/dbraw/zinc/84/72/97/1066847297.db2.gz KBDRHTPUCFGMQT-UHFFFAOYSA-N 0 0 585.560 3.737 50 0 KHAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=NC(=O)c1cc(Br)ccc1Cl ZINC000254517536 1066847433 /nfs/dbraw/zinc/84/74/33/1066847433.db2.gz BUQLZWRAAKIRHG-UHFFFAOYSA-N 0 0 559.804 3.629 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000254519061 1066848013 /nfs/dbraw/zinc/84/80/13/1066848013.db2.gz VJDLXSFJVKGNHW-JOCHJYFZSA-N 0 0 543.439 3.578 50 0 KHAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000254519066 1066847917 /nfs/dbraw/zinc/84/79/17/1066847917.db2.gz VJDLXSFJVKGNHW-QFIPXVFZSA-N 0 0 543.439 3.578 50 0 KHAARN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl ZINC000254526180 1066848081 /nfs/dbraw/zinc/84/80/81/1066848081.db2.gz NGYDNSLDOUZPOT-UHFFFAOYSA-N 0 0 574.999 3.943 50 0 KHAARN CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)c1=NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000254531479 1066847973 /nfs/dbraw/zinc/84/79/73/1066847973.db2.gz QDUKZDAGHNJFTA-UHFFFAOYSA-N 0 0 523.933 3.929 50 0 KHAARN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000254551133 1066848064 /nfs/dbraw/zinc/84/80/64/1066848064.db2.gz ZDYJNYLAUYYOCF-UHFFFAOYSA-N 0 0 535.494 3.645 50 0 KHAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(-c3ccc(C)c(Cl)c3)c2=O)cc1 ZINC000254559107 1066847949 /nfs/dbraw/zinc/84/79/49/1066847949.db2.gz XTNVDIUXQCADDI-UHFFFAOYSA-N 0 0 681.218 3.674 50 0 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O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000526052264 1066206299 /nfs/dbraw/zinc/20/62/99/1066206299.db2.gz MHLUFKCCEYPODH-SFHVURJKSA-N 0 0 511.980 3.734 50 0 KHAARN O=C(c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000526052287 1066206351 /nfs/dbraw/zinc/20/63/51/1066206351.db2.gz RMZIMIRFZRORGF-GOSISDBHSA-N 0 0 556.431 3.844 50 0 KHAARN O=C(c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000526052288 1066206289 /nfs/dbraw/zinc/20/62/89/1066206289.db2.gz RMZIMIRFZRORGF-SFHVURJKSA-N 0 0 556.431 3.844 50 0 KHAARN CC1(c2noc(-c3ccccc3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000575313135 1066512560 /nfs/dbraw/zinc/51/25/60/1066512560.db2.gz BBECEXUAHIFHEA-UHFFFAOYSA-N 0 0 552.682 3.722 50 0 KHAARN CCc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCN(S(=O)(=O)c4c(C)noc4C)CC2)C3)cc1 ZINC000575313184 1066512627 /nfs/dbraw/zinc/51/26/27/1066512627.db2.gz CNMADDDWDLRCKV-UHFFFAOYSA-N 0 0 511.648 3.551 50 0 KHAARN 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COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(O)c1 ZINC000888089812 1066324960 /nfs/dbraw/zinc/32/49/60/1066324960.db2.gz JMRFEJGSNZPXQL-DPEGQYJJSA-N 0 0 579.993 3.544 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cccc(O)c1 ZINC000888089813 1066324793 /nfs/dbraw/zinc/32/47/93/1066324793.db2.gz JMRFEJGSNZPXQL-IPAQCRBRSA-N 0 0 579.993 3.544 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(O)c1 ZINC000888089814 1066324758 /nfs/dbraw/zinc/32/47/58/1066324758.db2.gz JMRFEJGSNZPXQL-IZQAKPIMSA-N 0 0 579.993 3.544 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cccc(O)c1 ZINC000888089815 1066324975 /nfs/dbraw/zinc/32/49/75/1066324975.db2.gz JMRFEJGSNZPXQL-YXUSKKHYSA-N 0 0 579.993 3.544 50 0 KHAARN 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COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000888090022 1066325302 /nfs/dbraw/zinc/32/53/02/1066325302.db2.gz WSXVIBSYQAHQQG-DLGJVBJMSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000888090023 1066325596 /nfs/dbraw/zinc/32/55/96/1066325596.db2.gz WSXVIBSYQAHQQG-HHMJRQHRSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000888090024 1066325560 /nfs/dbraw/zinc/32/55/60/1066325560.db2.gz WSXVIBSYQAHQQG-KJAHGSAKSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000888090025 1066325382 /nfs/dbraw/zinc/32/53/82/1066325382.db2.gz WSXVIBSYQAHQQG-WXRAPXCJSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc2c(c1)OCO2 ZINC000888090056 1066325768 /nfs/dbraw/zinc/32/57/68/1066325768.db2.gz YZGJIJPIBYZGOO-CAJSAYRESA-N 0 0 608.003 3.567 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000888090057 1066326058 /nfs/dbraw/zinc/32/60/58/1066326058.db2.gz YZGJIJPIBYZGOO-NNFLNWRISA-N 0 0 608.003 3.567 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc2c(c1)OCO2 ZINC000888090058 1066325921 /nfs/dbraw/zinc/32/59/21/1066325921.db2.gz YZGJIJPIBYZGOO-XCRXPNQSSA-N 0 0 608.003 3.567 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc2c(c1)OCO2 ZINC000888090059 1066326145 /nfs/dbraw/zinc/32/61/45/1066326145.db2.gz YZGJIJPIBYZGOO-ZXSLXWSKSA-N 0 0 608.003 3.567 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000888090184 1066326643 /nfs/dbraw/zinc/32/66/43/1066326643.db2.gz HRWINWZKZZUYQF-IBURMAGPSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000888090185 1066326497 /nfs/dbraw/zinc/32/64/97/1066326497.db2.gz HRWINWZKZZUYQF-PPQRUJIESA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000888090186 1066326448 /nfs/dbraw/zinc/32/64/48/1066326448.db2.gz HRWINWZKZZUYQF-RKKJYCAKSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000888090187 1066326559 /nfs/dbraw/zinc/32/65/59/1066326559.db2.gz HRWINWZKZZUYQF-XERWKDHVSA-N 0 0 654.072 3.864 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090283 1066326607 /nfs/dbraw/zinc/32/66/07/1066326607.db2.gz PTUNZIVNXRTTKH-LYZGTLIUSA-N 0 0 682.778 3.657 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090284 1066326527 /nfs/dbraw/zinc/32/65/27/1066326527.db2.gz PTUNZIVNXRTTKH-PIKZIKFNSA-N 0 0 682.778 3.657 50 0 KHAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090285 1066326408 /nfs/dbraw/zinc/32/64/08/1066326408.db2.gz PTUNZIVNXRTTKH-RBTNQOKQSA-N 0 0 682.778 3.657 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cc2ccccc2n(C)c1=O ZINC000888090310 1066326542 /nfs/dbraw/zinc/32/65/42/1066326542.db2.gz RCIMECCMTVFODW-HXPQZFLZSA-N 0 0 645.068 3.691 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1cc2ccccc2n(C)c1=O ZINC000888090311 1066326428 /nfs/dbraw/zinc/32/64/28/1066326428.db2.gz RCIMECCMTVFODW-VJFVDGHLSA-N 0 0 645.068 3.691 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc2ccccc2n(C)c1=O ZINC000888090312 1066326515 /nfs/dbraw/zinc/32/65/15/1066326515.db2.gz RCIMECCMTVFODW-WJPCFRKJSA-N 0 0 645.068 3.691 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1cc2ccccc2n(C)c1=O ZINC000888090313 1066326662 /nfs/dbraw/zinc/32/66/62/1066326662.db2.gz RCIMECCMTVFODW-YLXZVRMBSA-N 0 0 645.068 3.691 50 0 KHAARN COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888090424 1066326592 /nfs/dbraw/zinc/32/65/92/1066326592.db2.gz XVTPDPUKVFNJHD-IVEGNSNUSA-N 0 0 594.020 3.847 50 0 KHAARN COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888090425 1066326393 /nfs/dbraw/zinc/32/63/93/1066326393.db2.gz XVTPDPUKVFNJHD-WUKOICJASA-N 0 0 594.020 3.847 50 0 KHAARN COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888090426 1066326479 /nfs/dbraw/zinc/32/64/79/1066326479.db2.gz XVTPDPUKVFNJHD-ZEUYJUNXSA-N 0 0 594.020 3.847 50 0 KHAARN COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888090427 1066326681 /nfs/dbraw/zinc/32/66/81/1066326681.db2.gz XVTPDPUKVFNJHD-ZQQKKWTNSA-N 0 0 594.020 3.847 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000888090441 1066326375 /nfs/dbraw/zinc/32/63/75/1066326375.db2.gz ZDSNGEFQUMXJTI-AYUPETMSSA-N 0 0 610.019 3.553 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000888090442 1066326462 /nfs/dbraw/zinc/32/64/62/1066326462.db2.gz ZDSNGEFQUMXJTI-NNFLNWRISA-N 0 0 610.019 3.553 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000888090443 1066326699 /nfs/dbraw/zinc/32/66/99/1066326699.db2.gz ZDSNGEFQUMXJTI-XCRXPNQSSA-N 0 0 610.019 3.553 50 0 KHAARN COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OC)c(O)c1 ZINC000888090444 1066327166 /nfs/dbraw/zinc/32/71/66/1066327166.db2.gz ZDSNGEFQUMXJTI-XOTHHPKNSA-N 0 0 610.019 3.553 50 0 KHAARN COC(=O)c1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888090496 1066327118 /nfs/dbraw/zinc/32/71/18/1066327118.db2.gz DJEQVHFRSSLUSC-HPUDTIQQSA-N 0 0 622.030 3.625 50 0 KHAARN COC(=O)c1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888090497 1066326896 /nfs/dbraw/zinc/32/68/96/1066326896.db2.gz DJEQVHFRSSLUSC-ISBPLYNLSA-N 0 0 622.030 3.625 50 0 KHAARN COC(=O)c1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000888090498 1066327151 /nfs/dbraw/zinc/32/71/51/1066327151.db2.gz DJEQVHFRSSLUSC-JETDLAQASA-N 0 0 622.030 3.625 50 0 KHAARN COC(=O)c1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@@H](C)C3)cc1 ZINC000888090499 1066326995 /nfs/dbraw/zinc/32/69/95/1066326995.db2.gz DJEQVHFRSSLUSC-QSYBJQNPSA-N 0 0 622.030 3.625 50 0 KHAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(COC)n1 ZINC000888090547 1066327085 /nfs/dbraw/zinc/32/70/85/1066327085.db2.gz HXIRFBWQLBDSHJ-DSUXHZLJSA-N 0 0 608.696 3.593 50 0 KHAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(COC)n1 ZINC000888090548 1066327030 /nfs/dbraw/zinc/32/70/30/1066327030.db2.gz HXIRFBWQLBDSHJ-LSTBZYJSSA-N 0 0 608.696 3.593 50 0 KHAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(COC)n1 ZINC000888090549 1066327182 /nfs/dbraw/zinc/32/71/82/1066327182.db2.gz HXIRFBWQLBDSHJ-PQXCKQOFSA-N 0 0 608.696 3.593 50 0 KHAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(COC)n1 ZINC000888090550 1066327223 /nfs/dbraw/zinc/32/72/23/1066327223.db2.gz HXIRFBWQLBDSHJ-VZAVBHJOSA-N 0 0 608.696 3.593 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccc(O)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952855837 1066516439 /nfs/dbraw/zinc/51/64/39/1066516439.db2.gz GPDJOJDOEXNEAS-KYJUHHDHSA-N 0 0 571.674 3.824 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)s3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952855839 1066516432 /nfs/dbraw/zinc/51/64/32/1066516432.db2.gz GZGUZKGYVGLIMX-SVBPBHIXSA-N 0 0 608.717 3.717 50 0 KHAARN O=C1N[C@H]2CN(Cc3sc(N4CCCC4)nc3Cl)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952855896 1066516453 /nfs/dbraw/zinc/51/64/53/1066516453.db2.gz NUCFLVFQSDPHOD-FPOVZHCZSA-N 0 0 578.526 3.624 50 0 KHAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2cnn(C)c2)NC1=O ZINC000952855902 1066516446 /nfs/dbraw/zinc/51/64/46/1066516446.db2.gz PANQBPVJWSEUDD-DSPMFFIESA-N 0 0 650.780 3.784 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH]c(C)n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952855942 1066516487 /nfs/dbraw/zinc/51/64/87/1066516487.db2.gz UVUAGFGBFJSFEK-URLMMPGGSA-N 0 0 605.736 3.606 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952855961 1066516461 /nfs/dbraw/zinc/51/64/61/1066516461.db2.gz WLGZFSVIFBEQGG-URLMMPGGSA-N 0 0 594.672 3.585 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952855998 1066516422 /nfs/dbraw/zinc/51/64/22/1066516422.db2.gz ACHHEFZKYGLYDJ-URLMMPGGSA-N 0 0 556.663 3.514 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)C3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952856014 1066516636 /nfs/dbraw/zinc/51/66/36/1066516636.db2.gz BIJWRNCDIOZWLO-RRPNLBNLSA-N 0 0 519.642 3.676 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C[C@@H]1NC(=O)CC2 ZINC000952856019 1066516566 /nfs/dbraw/zinc/51/65/66/1066516566.db2.gz BZSXFMGNQZYNIW-RRPNLBNLSA-N 0 0 584.677 3.723 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cnn(C(C)C)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856052 1066516555 /nfs/dbraw/zinc/51/65/55/1066516555.db2.gz FKDFAUJVIGGGBU-NSOVKSMOSA-N 0 0 559.667 3.577 50 0 KHAARN CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2ccccn2)NC1=O ZINC000952856054 1066517017 /nfs/dbraw/zinc/51/70/17/1066517017.db2.gz FNJMBLOVRINULJ-UIOOFZCWSA-N 0 0 500.599 3.718 50 0 KHAARN CCCCSCc1cc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)oc1C ZINC000952856073 1066517197 /nfs/dbraw/zinc/51/71/97/1066517197.db2.gz HJJHILSCRZKRGP-NRFANRHFSA-N 0 0 616.781 3.725 50 0 KHAARN COc1ccc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952856079 1066517166 /nfs/dbraw/zinc/51/71/66/1066517166.db2.gz HZTNLCKLXFQMRI-WEZIJMHWSA-N 0 0 594.716 3.991 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856086 1066517009 /nfs/dbraw/zinc/51/70/09/1066517009.db2.gz IOMFHOPNKLBOSG-XZWHSSHBSA-N 0 0 630.742 3.539 50 0 KHAARN CCCc1oncc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952856145 1066517135 /nfs/dbraw/zinc/51/71/35/1066517135.db2.gz NNMHXEGYOVJHSK-XCZPVHLTSA-N 0 0 560.651 3.740 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(C(C)(C)C)nc(=O)[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856152 1066517207 /nfs/dbraw/zinc/51/72/07/1066517207.db2.gz NYTUTLWTZFMVDN-LOSJGSFVSA-N 0 0 587.677 3.582 50 0 KHAARN O=C(CCN1CCOCC1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856180 1066517103 /nfs/dbraw/zinc/51/71/03/1066517103.db2.gz QUZXWKRSNHXHGW-HKBQPEDESA-N 0 0 557.647 3.893 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3nc(C)c[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856188 1066517082 /nfs/dbraw/zinc/51/70/82/1066517082.db2.gz RGYYAEXIPSMFHP-SVBPBHIXSA-N 0 0 575.666 3.689 50 0 KHAARN O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952856192 1066516983 /nfs/dbraw/zinc/51/69/83/1066516983.db2.gz RPPANEZVGUQHFE-DEOSSOPVSA-N 0 0 549.697 3.798 50 0 KHAARN O=C(c1ccc([C@H]2CCCO2)s1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952856193 1066517128 /nfs/dbraw/zinc/51/71/28/1066517128.db2.gz RPPANEZVGUQHFE-XMMPIXPASA-N 0 0 549.697 3.798 50 0 KHAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]2N1 ZINC000952856196 1066517025 /nfs/dbraw/zinc/51/70/25/1066517025.db2.gz SBJIDGSPOQRFLU-CONSDPRKSA-N 0 0 580.685 3.715 50 0 KHAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2ncc[nH]2)NC1=O ZINC000952856237 1066516975 /nfs/dbraw/zinc/51/69/75/1066516975.db2.gz BYDDSABSNFYLMI-YPKYBTACSA-N 0 0 636.753 3.774 50 0 KHAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c[nH]nc1C1CCCCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856309 1066517154 /nfs/dbraw/zinc/51/71/54/1066517154.db2.gz XOXMVLZHEFCQBG-PMERELPUSA-N 0 0 668.799 3.682 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3(c4ccccc4F)CC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856319 1066517218 /nfs/dbraw/zinc/51/72/18/1066517218.db2.gz DVUKZCQSJAKJAA-CONSDPRKSA-N 0 0 646.716 3.904 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C[C@@H]1NC(=O)CC2 ZINC000952856329 1066516967 /nfs/dbraw/zinc/51/69/67/1066516967.db2.gz YQONNXUELMZPPU-IZZNHLLZSA-N 0 0 543.620 3.939 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCc3c(C)noc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856346 1066517142 /nfs/dbraw/zinc/51/71/42/1066517142.db2.gz FUOAJCNVYRRYER-VMPREFPWSA-N 0 0 574.678 3.723 50 0 KHAARN CCCNC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(OC(C)C)cc(c3)C(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952856353 1066517516 /nfs/dbraw/zinc/51/75/16/1066517516.db2.gz GAGLPGIPFLXUNX-SVBPBHIXSA-N 0 0 552.672 3.937 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3[nH]nc4c3CCCC4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856383 1066517611 /nfs/dbraw/zinc/51/76/11/1066517611.db2.gz ANGIVNHGBFPEQA-URLMMPGGSA-N 0 0 585.705 3.710 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CSc3ccccc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856393 1066517575 /nfs/dbraw/zinc/51/75/75/1066517575.db2.gz BRPVDJSDTWHDDF-KYJUHHDHSA-N 0 0 634.755 3.825 50 0 KHAARN CCn1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)n1 ZINC000952856423 1066517605 /nfs/dbraw/zinc/51/76/05/1066517605.db2.gz DYMWAWFYYKEGMQ-URLMMPGGSA-N 0 0 587.677 3.534 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(CC(C)C)on3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952856429 1066517596 /nfs/dbraw/zinc/51/75/96/1066517596.db2.gz FHIMWCMCPFFSJQ-IZEXYCQBSA-N 0 0 634.730 3.621 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952856456 1066517503 /nfs/dbraw/zinc/51/75/03/1066517503.db2.gz IVHOUVIPYGBMIF-DITALETJSA-N 0 0 640.737 3.845 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)CCc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952856468 1066517591 /nfs/dbraw/zinc/51/75/91/1066517591.db2.gz GRQRWHYNCBUCPU-URLMMPGGSA-N 0 0 556.663 3.514 50 0 KHAARN Cc1noc(C)c1C(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856474 1066517539 /nfs/dbraw/zinc/51/75/39/1066517539.db2.gz HAWXRFBFUATTDC-LITSAYRRSA-N 0 0 524.581 3.737 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(N)nc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856477 1066517487 /nfs/dbraw/zinc/51/74/87/1066517487.db2.gz JISDGXFOWHCJCW-NSOVKSMOSA-N 0 0 587.677 3.635 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952856492 1066517566 /nfs/dbraw/zinc/51/75/66/1066517566.db2.gz JWTXZQPKOFQNDZ-FIBWVYCGSA-N 0 0 619.763 3.815 50 0 KHAARN CCc1nccn1CCC(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952856504 1066517527 /nfs/dbraw/zinc/51/75/27/1066517527.db2.gz KDKOUFSMKLHPGD-NSOVKSMOSA-N 0 0 543.668 3.518 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CSCC3CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856519 1066517481 /nfs/dbraw/zinc/51/74/81/1066517481.db2.gz IKMHHZJISXYHNB-LOSJGSFVSA-N 0 0 537.682 3.618 50 0 KHAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3c(s1)CCCCC3)CCCNC(=O)CC2 ZINC000952856528 1066517507 /nfs/dbraw/zinc/51/75/07/1066517507.db2.gz KXQAGQRCWLSZFT-QHCPKHFHSA-N 0 0 626.820 3.743 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cnc(SC)[nH]c3=O)C[C@@H]1NC(=O)CC2 ZINC000952856549 1066517577 /nfs/dbraw/zinc/51/75/77/1066517577.db2.gz MKNKEKSXFKFMHD-FCHUYYIVSA-N 0 0 550.637 3.567 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cccc(C)c3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856553 1066517601 /nfs/dbraw/zinc/51/76/01/1066517601.db2.gz MOSSNMRGERHBBT-CONSDPRKSA-N 0 0 616.715 3.963 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)CCN3Cc4ccccc4C3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952856562 1066517547 /nfs/dbraw/zinc/51/75/47/1066517547.db2.gz NTQNIKDMIBTYMN-IOWSJCHKSA-N 0 0 610.711 3.532 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)on3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856563 1066517496 /nfs/dbraw/zinc/51/74/96/1066517496.db2.gz NUJYKCQZNXQVDX-WUFINQPMSA-N 0 0 620.703 3.511 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856567 1066517519 /nfs/dbraw/zinc/51/75/19/1066517519.db2.gz OEEQLJDULAQMND-KYJUHHDHSA-N 0 0 586.689 3.982 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856571 1066517555 /nfs/dbraw/zinc/51/75/55/1066517555.db2.gz OPPPFUHBZKTZBU-IGKIAQTJSA-N 0 0 533.673 3.839 50 0 KHAARN O=C1COc2ccc3c(c2)CCN(Cc2ccccc2OCCN2CCOCC2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856585 1066517938 /nfs/dbraw/zinc/51/79/38/1066517938.db2.gz ALJVBLUZPHPLMF-XIFFEERXSA-N 0 0 557.691 3.823 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3c(C)onc3CC)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856589 1066518091 /nfs/dbraw/zinc/51/80/91/1066518091.db2.gz AQMSBIQEXFCQFH-RRPNLBNLSA-N 0 0 576.650 3.738 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccc4ncccc43)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856630 1066518001 /nfs/dbraw/zinc/51/80/01/1066518001.db2.gz AINDUTHJCQFKGD-YTMVLYRLSA-N 0 0 550.615 3.947 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cc(N)nc(SC)n3)C[C@@H]1NC(=O)CC2 ZINC000952856663 1066518035 /nfs/dbraw/zinc/51/80/35/1066518035.db2.gz KSEVYJZZJGBEBH-LEWJYISDSA-N 0 0 521.643 3.808 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856669 1066518080 /nfs/dbraw/zinc/51/80/80/1066518080.db2.gz BYYVYKHJALPKTJ-VMPREFPWSA-N 0 0 601.704 3.870 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3nnc4n3CCCCC4)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856698 1066517917 /nfs/dbraw/zinc/51/79/17/1066517917.db2.gz CYAUEDJKIJNQTL-VMPREFPWSA-N 0 0 630.746 3.976 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3ncc4ccccc43)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856718 1066517985 /nfs/dbraw/zinc/51/79/85/1066517985.db2.gz DJZRQJHVCURMCI-MFMCTBQISA-N 0 0 597.672 3.615 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)no3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856724 1066518010 /nfs/dbraw/zinc/51/80/10/1066518010.db2.gz FVTGKQIJIALIJR-SVBPBHIXSA-N 0 0 558.635 3.665 50 0 KHAARN CCCc1nnc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)s1 ZINC000952856728 1066518176 /nfs/dbraw/zinc/51/81/76/1066518176.db2.gz ALQSFWXUGZCFQU-IGKIAQTJSA-N 0 0 609.749 3.603 50 0 KHAARN Cc1nc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)c(C)s1 ZINC000952856733 1066517990 /nfs/dbraw/zinc/51/79/90/1066517990.db2.gz FZCFCOIYBIZASS-NSOVKSMOSA-N 0 0 606.745 3.626 50 0 KHAARN O=C(CCCc1nc(-c2ccco2)no1)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952856741 1066518216 /nfs/dbraw/zinc/51/82/16/1066518216.db2.gz DNRCEKVUXANIMX-UIOOFZCWSA-N 0 0 614.659 3.666 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccc(C)c3F)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856765 1066517974 /nfs/dbraw/zinc/51/79/74/1066517974.db2.gz BCZGQKMZSLDCTM-IGKIAQTJSA-N 0 0 533.600 3.906 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)nc(C)n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856790 1066518162 /nfs/dbraw/zinc/51/81/62/1066518162.db2.gz RBXDADVKHDASFV-URLMMPGGSA-N 0 0 603.720 3.663 50 0 KHAARN COCCOCC(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856791 1066518023 /nfs/dbraw/zinc/51/80/23/1066518023.db2.gz FVXYQOAIUGISJQ-GDLZYMKVSA-N 0 0 532.593 3.834 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856843 1066518191 /nfs/dbraw/zinc/51/81/91/1066518191.db2.gz SKZPIRDRLCBCCT-FPOVZHCZSA-N 0 0 606.001 3.805 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3c(C)nc4ncccn43)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856846 1066517930 /nfs/dbraw/zinc/51/79/30/1066517930.db2.gz SPDDDTIHAVUMBB-WUFINQPMSA-N 0 0 628.730 3.607 50 0 KHAARN O=C(c1cscn1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856881 1066518201 /nfs/dbraw/zinc/51/82/01/1066518201.db2.gz INWMFDSBPIOIME-IGKIAQTJSA-N 0 0 512.595 3.589 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c[nH]nc3-c3ccccc3F)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856886 1066518580 /nfs/dbraw/zinc/51/85/80/1066518580.db2.gz CSHNLIFGRLTXCK-XCZPVHLTSA-N 0 0 583.620 3.928 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856887 1066518534 /nfs/dbraw/zinc/51/85/34/1066518534.db2.gz NWMAZDCEVDEJPC-IOWSJCHKSA-N 0 0 644.769 3.929 50 0 KHAARN Cc1nc(C)c(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)s1 ZINC000952856900 1066518509 /nfs/dbraw/zinc/51/85/09/1066518509.db2.gz OAOKGPCAALYHKO-LBNVMWSVSA-N 0 0 516.623 3.530 50 0 KHAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC3(CNC(=O)C3)CC2)NC1=O ZINC000952856931 1066518545 /nfs/dbraw/zinc/51/85/45/1066518545.db2.gz UCRWRPGPFXKCOC-DSPMFFIESA-N 0 0 679.818 3.521 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)C3CC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856932 1066518515 /nfs/dbraw/zinc/51/85/15/1066518515.db2.gz JSDFVQZIJRAOBQ-SVBPBHIXSA-N 0 0 535.641 3.754 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952856937 1066518611 /nfs/dbraw/zinc/51/86/11/1066518611.db2.gz OKXAXXBNGNBEFU-URLMMPGGSA-N 0 0 614.703 3.527 50 0 KHAARN O=C(c1ccncc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856938 1066518521 /nfs/dbraw/zinc/51/85/21/1066518521.db2.gz DUEMMLNDNBGCQC-LITSAYRRSA-N 0 0 506.566 3.528 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(OC)o3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856944 1066518602 /nfs/dbraw/zinc/51/86/02/1066518602.db2.gz OPZDQIPOOLEBMS-RRPNLBNLSA-N 0 0 635.714 3.817 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccoc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856946 1066518540 /nfs/dbraw/zinc/51/85/40/1066518540.db2.gz FEEUEUQXCMQXRO-WUFINQPMSA-N 0 0 605.688 3.808 50 0 KHAARN COc1nc2c(cc1C(=O)N1CCc3cc4ccc3[C@H]1c1cccc(c1)OCCCNC(=O)CO4)CCC2 ZINC000952857014 1066518575 /nfs/dbraw/zinc/51/85/75/1066518575.db2.gz MDUUDJREAVNUOS-MUUNZHRXSA-N 0 0 513.594 3.644 50 0 KHAARN Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952857020 1066518622 /nfs/dbraw/zinc/51/86/22/1066518622.db2.gz VODVVQXVKUXJCL-AJQTZOPKSA-N 0 0 629.758 3.987 50 0 KHAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)CCCCN(C)C1=O ZINC000952857022 1066518525 /nfs/dbraw/zinc/51/85/25/1066518525.db2.gz QCPUAGOLDSYLBT-QFIPXVFZSA-N 0 0 638.165 3.758 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CCN(C(=O)C4CCCC4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857046 1066518500 /nfs/dbraw/zinc/51/85/00/1066518500.db2.gz HGLDZUWSBCPQPS-JDXGNMNLSA-N 0 0 602.732 3.514 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)nc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857047 1066518587 /nfs/dbraw/zinc/51/85/87/1066518587.db2.gz NCUBIEQBAYSTOF-URLMMPGGSA-N 0 0 588.705 3.959 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3(c4ccc(S(C)(=O)=O)cc4)CCC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857064 1066518570 /nfs/dbraw/zinc/51/85/70/1066518570.db2.gz WJZAFBVDNVKIQT-JDXGNMNLSA-N 0 0 631.751 3.611 50 0 KHAARN CCOc1ccc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1CO ZINC000952857077 1066518549 /nfs/dbraw/zinc/51/85/49/1066518549.db2.gz HYUFHYOXSMXZIS-FIBWVYCGSA-N 0 0 559.663 3.650 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)Cc3cccs3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952857101 1066518608 /nfs/dbraw/zinc/51/86/08/1066518608.db2.gz ZMYVWKFHMWIMDW-RRPNLBNLSA-N 0 0 547.677 3.790 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3ccc(O)cc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857114 1066519032 /nfs/dbraw/zinc/51/90/32/1066519032.db2.gz JMFCHHXESWNCGE-XZWHSSHBSA-N 0 0 587.673 3.904 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CSc3nccc(C)n3)C[C@@H]1NC(=O)CC2 ZINC000952857119 1066519036 /nfs/dbraw/zinc/51/90/36/1066519036.db2.gz JPVLIJMBSUVTKW-BJKOFHAPSA-N 0 0 548.665 3.927 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3nc4c(cc3C(N)=O)CCC4)C[C@@H]1NC(=O)CC2 ZINC000952857146 1066519022 /nfs/dbraw/zinc/51/90/22/1066519022.db2.gz LJMOICUVVPLRAL-IZZNHLLZSA-N 0 0 542.636 3.697 50 0 KHAARN O=C(c1cccc(O)c1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952857163 1066519028 /nfs/dbraw/zinc/51/90/28/1066519028.db2.gz IFLSJPJLNXZYEQ-FIBWVYCGSA-N 0 0 521.577 3.838 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857168 1066518983 /nfs/dbraw/zinc/51/89/83/1066518983.db2.gz MBZNPGYBMWPZBC-KYJUHHDHSA-N 0 0 647.729 3.571 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3c(C)cnn3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857177 1066519062 /nfs/dbraw/zinc/51/90/62/1066519062.db2.gz QAEMKKNTUWOYEP-LMSSTIIKSA-N 0 0 577.726 3.657 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857196 1066518960 /nfs/dbraw/zinc/51/89/60/1066518960.db2.gz MRCTZINKGPCXSR-CONSDPRKSA-N 0 0 616.715 3.963 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3nnc4n3CCCCC4)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857210 1066519043 /nfs/dbraw/zinc/51/90/43/1066519043.db2.gz AZPLURKHYMWXBV-WUFINQPMSA-N 0 0 632.762 3.574 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952857223 1066518978 /nfs/dbraw/zinc/51/89/78/1066518978.db2.gz NRLIETXQOGLGSL-DQEYMECFSA-N 0 0 523.630 3.660 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857246 1066519048 /nfs/dbraw/zinc/51/90/48/1066519048.db2.gz BMRKBAXJZVCESR-IOWSJCHKSA-N 0 0 644.769 3.929 50 0 KHAARN Cc1noc(C)c1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952857253 1066518992 /nfs/dbraw/zinc/51/89/92/1066518992.db2.gz SROLSPGQSPLJQU-RRPNLBNLSA-N 0 0 560.651 3.713 50 0 KHAARN CCc1ccc(CN2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857265 1066518889 /nfs/dbraw/zinc/51/88/89/1066518889.db2.gz KSRVLRMDZASMKT-NSOVKSMOSA-N 0 0 517.626 3.973 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3c(C)nc4ccc(C)cn43)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952857312 1066518955 /nfs/dbraw/zinc/51/89/55/1066518955.db2.gz LLOZWYSCOLZDPF-NSOVKSMOSA-N 0 0 641.725 3.506 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(c3nnc(C(C)C)s3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857334 1066518866 /nfs/dbraw/zinc/51/88/66/1066518866.db2.gz FCWUAFSTCYGMPC-IGKIAQTJSA-N 0 0 609.749 3.774 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3ccc(SC)cc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857338 1066519002 /nfs/dbraw/zinc/51/90/02/1066519002.db2.gz XAOBXIMHVMZTQP-NSOVKSMOSA-N 0 0 562.692 3.584 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857411 1066519365 /nfs/dbraw/zinc/51/93/65/1066519365.db2.gz GEXKADYCUVBXCP-XZWHSSHBSA-N 0 0 630.742 3.539 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3c(C)noc3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952857412 1066519452 /nfs/dbraw/zinc/51/94/52/1066519452.db2.gz QKONJDWNHPZZLS-VMPREFPWSA-N 0 0 590.677 3.851 50 0 KHAARN Cc1nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cs1 ZINC000952857424 1066519374 /nfs/dbraw/zinc/51/93/74/1066519374.db2.gz GRERUAORASARNK-AZGAKELHSA-N 0 0 548.665 3.565 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cn3ncc4ccccc43)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952857429 1066519355 /nfs/dbraw/zinc/51/93/55/1066519355.db2.gz UDPBMLWCADLQSV-JDXGNMNLSA-N 0 0 597.672 3.663 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(SCCO)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857440 1066519399 /nfs/dbraw/zinc/51/93/99/1066519399.db2.gz HDLIMUJZRYXJFS-KYJUHHDHSA-N 0 0 603.741 3.884 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3ccccc3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857465 1066519463 /nfs/dbraw/zinc/51/94/63/1066519463.db2.gz OBORVCSFVKXLSK-CONSDPRKSA-N 0 0 616.715 3.584 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C3(Cn4ccnc4)CC3)C[C@@H]1NC(=O)CC2 ZINC000952857521 1066519338 /nfs/dbraw/zinc/51/93/38/1066519338.db2.gz JKKYYYKEYICEIR-LOSJGSFVSA-N 0 0 530.625 3.713 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857530 1066519387 /nfs/dbraw/zinc/51/93/87/1066519387.db2.gz WDFBRABEMJHLJR-HVNZXBJASA-N 0 0 646.697 3.555 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cccc(F)c3OC)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857534 1066519410 /nfs/dbraw/zinc/51/94/10/1066519410.db2.gz PRLHEWYSTIHMRC-KYJUHHDHSA-N 0 0 622.694 3.854 50 0 KHAARN CCNc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)s1 ZINC000952857543 1066519442 /nfs/dbraw/zinc/51/94/42/1066519442.db2.gz WMFZAOFQQDGJFB-BJKOFHAPSA-N 0 0 577.707 3.986 50 0 KHAARN CN1CC(=O)N[C@H]2CN(c3ccc(C(=O)N4CCCC4)cn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952857558 1066519290 /nfs/dbraw/zinc/51/92/90/1066519290.db2.gz JZTRMJKVROKARX-XZWHSSHBSA-N 0 0 597.716 3.795 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)Cc3ccsc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952857564 1066519330 /nfs/dbraw/zinc/51/93/30/1066519330.db2.gz XKWOPUSLLFMUOL-RRPNLBNLSA-N 0 0 547.677 3.790 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccc(-c4nc[nH]n4)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857573 1066519304 /nfs/dbraw/zinc/51/93/04/1066519304.db2.gz XWJBPBGSYMYJMF-IZEXYCQBSA-N 0 0 636.709 3.736 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)on3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952857576 1066519518 /nfs/dbraw/zinc/51/95/18/1066519518.db2.gz YCWMPTAYXNUWFX-NSOVKSMOSA-N 0 0 576.650 3.954 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cc(C(C)=O)cn3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857579 1066519299 /nfs/dbraw/zinc/51/92/99/1066519299.db2.gz YDTDUDNGSHLWGI-XZWHSSHBSA-N 0 0 574.678 3.780 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3ccc(-c4nccn4C)nn3)C[C@@H]1NC(=O)CC2 ZINC000952857589 1066519274 /nfs/dbraw/zinc/51/92/74/1066519274.db2.gz YUFJEQCHBFVCFA-LOSJGSFVSA-N 0 0 540.624 3.905 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3(C)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857593 1066519318 /nfs/dbraw/zinc/51/93/18/1066519318.db2.gz ZDOAAENBCZIWDT-RRPNLBNLSA-N 0 0 593.721 3.701 50 0 KHAARN CC(C)c1nc(CN2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)co1 ZINC000952857602 1066519478 /nfs/dbraw/zinc/51/94/78/1066519478.db2.gz ZVDNLAIHGRXMNX-LITSAYRRSA-N 0 0 500.599 3.928 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3ccccc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857610 1066519322 /nfs/dbraw/zinc/51/93/22/1066519322.db2.gz RGYGEMZRUMIHTB-CONSDPRKSA-N 0 0 616.715 3.666 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857611 1066519823 /nfs/dbraw/zinc/51/98/23/1066519823.db2.gz RIIOGPYTQCHCSV-FIBWVYCGSA-N 0 0 602.688 3.826 50 0 KHAARN CCc1ccc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857626 1066519953 /nfs/dbraw/zinc/51/99/53/1066519953.db2.gz SCXVJRPPQFORMC-LSYYVWMOSA-N 0 0 505.615 3.974 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C4CC4)on3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952857662 1066519859 /nfs/dbraw/zinc/51/98/59/1066519859.db2.gz QVXNJPLIIAOJMF-DHIFEGFHSA-N 0 0 604.704 3.660 50 0 KHAARN CCCc1cnc(C)nc1N1C[C@@H]2NC(=O)CN(CCOC)C(=O)CCc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952857670 1066519944 /nfs/dbraw/zinc/51/99/44/1066519944.db2.gz QYTUAYDLJUQRRA-IZEXYCQBSA-N 0 0 617.747 3.850 50 0 KHAARN Cc1cc(C)n(CCC(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)c(=O)n1 ZINC000952857716 1066519816 /nfs/dbraw/zinc/51/98/16/1066519816.db2.gz VZSHOJLBKZEHIN-UHFFFAOYSA-N 0 0 514.626 3.566 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(CC)[nH]c(=O)c3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952857720 1066519844 /nfs/dbraw/zinc/51/98/44/1066519844.db2.gz RZMDYGRXGBGRKW-WUFINQPMSA-N 0 0 588.661 3.542 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c(C)nc4sccn43)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857742 1066520036 /nfs/dbraw/zinc/52/00/36/1066520036.db2.gz NDYXRSGKDZKLDB-LSYYVWMOSA-N 0 0 629.739 3.968 50 0 KHAARN CCCc1nc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)cs1 ZINC000952857751 1066520010 /nfs/dbraw/zinc/52/00/10/1066520010.db2.gz WZROQLNBUDNTFO-XCZPVHLTSA-N 0 0 637.759 3.756 50 0 KHAARN O=C(c1cncs1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952857753 1066519831 /nfs/dbraw/zinc/51/98/31/1066519831.db2.gz XANAPNPLEKKFTO-IGKIAQTJSA-N 0 0 512.595 3.589 50 0 KHAARN O=C(c1cncc(N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)n1)N1CCCC1 ZINC000952857760 1066519916 /nfs/dbraw/zinc/51/99/16/1066519916.db2.gz NITYGLZJBRSEAU-IOWSJCHKSA-N 0 0 640.741 3.708 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857770 1066520024 /nfs/dbraw/zinc/52/00/24/1066520024.db2.gz NKXWIZLDMPXJDU-FIBWVYCGSA-N 0 0 541.648 3.948 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cccc(C(=O)N(C)C)n3)C[C@@H]1NC(=O)CC2 ZINC000952857771 1066519838 /nfs/dbraw/zinc/51/98/38/1066519838.db2.gz 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/nfs/dbraw/zinc/52/03/89/1066520389.db2.gz SABCHUYTPRFETD-LOSJGSFVSA-N 0 0 609.749 3.603 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cc3cccc(O)c3)C[C@@H]1NC(=O)CC2 ZINC000952857903 1066520378 /nfs/dbraw/zinc/52/03/78/1066520378.db2.gz SKKRTXYECZCARB-IZZNHLLZSA-N 0 0 516.594 3.984 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccncc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857911 1066520611 /nfs/dbraw/zinc/52/06/11/1066520611.db2.gz SVONPKMQZYNNPY-VMPREFPWSA-N 0 0 556.663 3.514 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857915 1066520475 /nfs/dbraw/zinc/52/04/75/1066520475.db2.gz YIUCESHLCYZMEB-XZWHSSHBSA-N 0 0 602.732 3.970 50 0 KHAARN O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@H]2NC(=O)CCN1 ZINC000952857927 1066520435 /nfs/dbraw/zinc/52/04/35/1066520435.db2.gz TZBFCEMYVMMVJD-JDXGNMNLSA-N 0 0 541.648 3.752 50 0 KHAARN Cc1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc1N1CCNC1=O ZINC000952858032 1066520593 /nfs/dbraw/zinc/52/05/93/1066520593.db2.gz ZSDNPZIIIWZQSC-IGYGKHONSA-N 0 0 625.726 3.638 50 0 KHAARN O=C(CCn1nnc2ccccc21)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952858041 1066520463 /nfs/dbraw/zinc/52/04/63/1066520463.db2.gz TZZBYXOVYNSWFB-XDFJSJKPSA-N 0 0 638.725 3.839 50 0 KHAARN COc1ccnc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c1OC ZINC000952858042 1066520579 /nfs/dbraw/zinc/52/05/79/1066520579.db2.gz UBCDVQLQVKFENN-WNJJXGMVSA-N 0 0 544.652 3.755 50 0 KHAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(c3cncc(C(=O)N4CCCCC4)n3)C[C@@H]2N1 ZINC000952858119 1066520519 /nfs/dbraw/zinc/52/05/19/1066520519.db2.gz VGKPZGVTTRTOLG-KYJUHHDHSA-N 0 0 582.705 3.763 50 0 KHAARN CCOc1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC)cc(c4)C(=O)NCCCC(=O)N[C@H]3C2)o1 ZINC000952858168 1066520397 /nfs/dbraw/zinc/52/03/97/1066520397.db2.gz VYCHSXNKHKNQLJ-UIOOFZCWSA-N 0 0 577.634 3.919 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ncoc3C3CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952858179 1066520508 /nfs/dbraw/zinc/52/05/08/1066520508.db2.gz WNUFQRQLOKROIX-UIOOFZCWSA-N 0 0 558.635 3.665 50 0 KHAARN Cc1ccc2c(C)cc(N3C[C@@H]4NC(=O)c5cccc(c5)OCCCn5cc(nn5)CO[C@H]4C3)nc2c1C ZINC000952858187 1066520630 /nfs/dbraw/zinc/52/06/30/1066520630.db2.gz XURNUTXJEUHGGM-UIOOFZCWSA-N 0 0 512.614 3.738 50 0 KHAARN COc1cccc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952858206 1066520336 /nfs/dbraw/zinc/52/03/36/1066520336.db2.gz ZDFAMVPWPAUTFJ-LSYYVWMOSA-N 0 0 543.620 3.716 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccco3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952858528 1066520418 /nfs/dbraw/zinc/52/04/18/1066520418.db2.gz ALFGWBKZJYTBQT-RRPNLBNLSA-N 0 0 605.688 3.808 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952858548 1066520347 /nfs/dbraw/zinc/52/03/47/1066520347.db2.gz CEPWRTGNQJGKPK-IOWSJCHKSA-N 0 0 644.769 3.929 50 0 KHAARN COc1cccc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1 ZINC000952858564 1066520353 /nfs/dbraw/zinc/52/03/53/1066520353.db2.gz CWTLDYLCFGOJKZ-WNJJXGMVSA-N 0 0 517.626 3.827 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952858566 1066520531 /nfs/dbraw/zinc/52/05/31/1066520531.db2.gz DATMHMSUCPRVNE-URLMMPGGSA-N 0 0 616.715 3.610 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3c(C)nc4ccccn43)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858575 1066520542 /nfs/dbraw/zinc/52/05/42/1066520542.db2.gz DOANBRPWFJLFDY-SMCANUKXSA-N 0 0 628.730 3.663 50 0 KHAARN O=C(c1ccncc1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952858579 1066520409 /nfs/dbraw/zinc/52/04/09/1066520409.db2.gz DUEMMLNDNBGCQC-WNJJXGMVSA-N 0 0 506.566 3.528 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccccc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952858582 1066520897 /nfs/dbraw/zinc/52/08/97/1066520897.db2.gz DWGQFPPONSNMNQ-NSOVKSMOSA-N 0 0 543.620 3.927 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3ccc(C)o3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952858834 1066521091 /nfs/dbraw/zinc/52/10/91/1066521091.db2.gz HCLPTBOVUNOXAE-SVBPBHIXSA-N 0 0 563.651 3.503 50 0 KHAARN CC(C)c1noc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n1 ZINC000952858933 1066521057 /nfs/dbraw/zinc/52/10/57/1066521057.db2.gz IRCHMBOLTJFIEN-UIOOFZCWSA-N 0 0 517.630 3.849 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952858972 1066520961 /nfs/dbraw/zinc/52/09/61/1066520961.db2.gz KUBOEENPDHTZFV-JDXGNMNLSA-N 0 0 568.674 3.886 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3ccc(CS(C)(=O)=O)cn3)C[C@@H]1NC(=O)CC2 ZINC000952859031 1066520913 /nfs/dbraw/zinc/52/09/13/1066520913.db2.gz NKFQQOVZEIBEBC-LOSJGSFVSA-N 0 0 551.665 3.654 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3[nH]nc(C)c3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859216 1066521015 /nfs/dbraw/zinc/52/10/15/1066521015.db2.gz OIXMKNFYOPSIJG-URLMMPGGSA-N 0 0 589.693 3.538 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc4c([nH]c3=O)CCCC4)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952859230 1066520952 /nfs/dbraw/zinc/52/09/52/1066520952.db2.gz PPDZRFGABQTEMG-NYDCQLBNSA-N 0 0 640.737 3.930 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)Cc3csc(C(C)=O)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952859288 1066520939 /nfs/dbraw/zinc/52/09/39/1066520939.db2.gz QONZLEKBIMMZAH-NSOVKSMOSA-N 0 0 589.714 3.993 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3ccc(C(C)C)nn3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952859294 1066520910 /nfs/dbraw/zinc/52/09/10/1066520910.db2.gz QTDILMFGOYIQDR-IGKIAQTJSA-N 0 0 517.630 3.737 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3ccccc3F)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859352 1066520899 /nfs/dbraw/zinc/52/08/99/1066520899.db2.gz RIECTBYHUOGQNE-CONSDPRKSA-N 0 0 634.705 3.805 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3ccccn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952859354 1066521036 /nfs/dbraw/zinc/52/10/36/1066521036.db2.gz RNUWTUPJNRSIGG-IZEXYCQBSA-N 0 0 598.700 3.665 50 0 KHAARN Cc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)s1 ZINC000952859381 1066521134 /nfs/dbraw/zinc/52/11/34/1066521134.db2.gz ULCWRJHOQYUJKV-IZZNHLLZSA-N 0 0 562.692 3.873 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cc3ccc(O)cc3)C[C@@H]1NC(=O)CC2 ZINC000952859392 1066521076 /nfs/dbraw/zinc/52/10/76/1066521076.db2.gz VLQMUAUMRUUDFT-IZZNHLLZSA-N 0 0 516.594 3.984 50 0 KHAARN Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)s1 ZINC000952859404 1066520945 /nfs/dbraw/zinc/52/09/45/1066520945.db2.gz WELHXYQIMMDJIE-RRPNLBNLSA-N 0 0 576.719 3.802 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952859405 1066520895 /nfs/dbraw/zinc/52/08/95/1066520895.db2.gz WHIZDWJSSJTNRT-WUFINQPMSA-N 0 0 604.704 3.543 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(C)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859412 1066520902 /nfs/dbraw/zinc/52/09/02/1066520902.db2.gz WSZOWOJFYGQAHM-VMPREFPWSA-N 0 0 578.666 3.608 50 0 KHAARN COc1cccc(F)c1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952859519 1066521045 /nfs/dbraw/zinc/52/10/45/1066521045.db2.gz WWBPVBJIUVWGNL-RRPNLBNLSA-N 0 0 575.637 3.947 50 0 KHAARN COc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)ccc1O ZINC000952859557 1066521728 /nfs/dbraw/zinc/52/17/28/1066521728.db2.gz YLMXUTKEUBBRSD-XTEPFMGCSA-N 0 0 573.646 3.514 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccccc3O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952859654 1066521709 /nfs/dbraw/zinc/52/17/09/1066521709.db2.gz ZKBOLJLQWKFKJK-XTEPFMGCSA-N 0 0 543.620 3.505 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3cccs3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859656 1066521422 /nfs/dbraw/zinc/52/14/22/1066521422.db2.gz ZNAIBUJESUJSCZ-RRPNLBNLSA-N 0 0 563.676 3.870 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3csc(N)n3)C[C@@H]1NC(=O)CC2 ZINC000952859664 1066521402 /nfs/dbraw/zinc/52/14/02/1066521402.db2.gz ZYFLKNYOPVLZPJ-XZOQPEGZSA-N 0 0 536.654 3.708 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccc(SCCO)cc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952860848 1066521741 /nfs/dbraw/zinc/52/17/41/1066521741.db2.gz UXHBZJDENLRSTM-XZWHSSHBSA-N 0 0 603.741 3.884 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCC(F)(F)F)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861446 1066521371 /nfs/dbraw/zinc/52/13/71/1066521371.db2.gz AFKBIZKPSGUCNO-BJKOFHAPSA-N 0 0 563.573 3.908 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3ccccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861459 1066521595 /nfs/dbraw/zinc/52/15/95/1066521595.db2.gz AKDWRVREQNJNFL-IZZNHLLZSA-N 0 0 500.599 3.544 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cc(C4CC4)n[nH]3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861470 1066521528 /nfs/dbraw/zinc/52/15/28/1066521528.db2.gz AVKZZYHPLWMNKT-VMPREFPWSA-N 0 0 559.667 3.888 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCC3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952861473 1066521499 /nfs/dbraw/zinc/52/14/99/1066521499.db2.gz BAENDGHVBCCZSP-RRPNLBNLSA-N 0 0 551.684 3.742 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccnn3C(C)C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952861482 1066521665 /nfs/dbraw/zinc/52/16/65/1066521665.db2.gz BKINJXMIZMCWPM-YZNIXAGQSA-N 0 0 601.704 3.728 50 0 KHAARN Cc1ncsc1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952861516 1066521653 /nfs/dbraw/zinc/52/16/53/1066521653.db2.gz CCJNMMHYJAZGSO-LOSJGSFVSA-N 0 0 562.692 3.873 50 0 KHAARN O=C(c1cnc2c(c1)CCCC2)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952861560 1066521387 /nfs/dbraw/zinc/52/13/87/1066521387.db2.gz CXRYGIHDQBXJJL-VMPREFPWSA-N 0 0 569.662 3.587 50 0 KHAARN Cc1nc2ccc(C(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5cncc(c5)C(=O)NCCCC(=O)N[C@H]4C3)cc2o1 ZINC000952861566 1066521638 /nfs/dbraw/zinc/52/16/38/1066521638.db2.gz DIEJJSNLSOLSLD-SVBPBHIXSA-N 0 0 569.618 3.763 50 0 KHAARN COCc1cccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)n1 ZINC000952861622 1066521513 /nfs/dbraw/zinc/52/15/13/1066521513.db2.gz COOGCRHHORVFBR-IZZNHLLZSA-N 0 0 531.609 3.891 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cc(C)no3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861649 1066521682 /nfs/dbraw/zinc/52/16/82/1066521682.db2.gz GMAMYPBGDDMVEQ-RRPNLBNLSA-N 0 0 534.613 3.536 50 0 KHAARN CCn1c(C)cc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)c1=O ZINC000952861664 1066521411 /nfs/dbraw/zinc/52/14/11/1066521411.db2.gz DLFLJAAWVSHWCO-IZEXYCQBSA-N 0 0 642.753 3.749 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952861670 1066521356 /nfs/dbraw/zinc/52/13/56/1066521356.db2.gz DSUFOKUYBSMJEO-WUFINQPMSA-N 0 0 574.678 3.651 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CC3CCCC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861676 1066521581 /nfs/dbraw/zinc/52/15/81/1066521581.db2.gz DXRNKGSVYDMVFM-AHWVRZQESA-N 0 0 505.615 3.665 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCNC(=O)c3ccc(F)cc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861776 1066522221 /nfs/dbraw/zinc/52/22/21/1066522221.db2.gz AVMQTWWMWQYRDO-KYJUHHDHSA-N 0 0 632.689 3.573 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3ncccc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861806 1066522124 /nfs/dbraw/zinc/52/21/24/1066522124.db2.gz BRHNFUTZUZFRJD-URLMMPGGSA-N 0 0 572.662 3.512 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccccc3N3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952861848 1066522193 /nfs/dbraw/zinc/52/21/93/1066522193.db2.gz IBZBZWZATUAOHI-XDFJSJKPSA-N 0 0 612.727 3.636 50 0 KHAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cc(-c3ccccc3)no1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861861 1066522136 /nfs/dbraw/zinc/52/21/36/1066522136.db2.gz IGZIEWHPZGSALA-YTTGMZPUSA-N 0 0 649.752 3.926 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)on3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952861890 1066522224 /nfs/dbraw/zinc/52/22/24/1066522224.db2.gz FXPWPDNPZRZKAM-RRPNLBNLSA-N 0 0 578.666 3.552 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952861899 1066522212 /nfs/dbraw/zinc/52/22/12/1066522212.db2.gz DAERHUONRFISIL-XZWHSSHBSA-N 0 0 598.700 3.779 50 0 KHAARN Cc1nc(C)c(CC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)s1 ZINC000952861915 1066522063 /nfs/dbraw/zinc/52/20/63/1066522063.db2.gz GMJHSLCKEMUYJI-SVBPBHIXSA-N 0 0 546.693 3.985 50 0 KHAARN Cc1nc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)cs1 ZINC000952861928 1066522215 /nfs/dbraw/zinc/52/22/15/1066522215.db2.gz GTSYLCPBZLYDGF-LBNVMWSVSA-N 0 0 526.622 3.898 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3(c4ccccc4)CC3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952861943 1066522037 /nfs/dbraw/zinc/52/20/37/1066522037.db2.gz DNEWATNHWLEQGJ-VMPREFPWSA-N 0 0 613.711 3.660 50 0 KHAARN Cc1cccnc1C(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952861949 1066522048 /nfs/dbraw/zinc/52/20/48/1066522048.db2.gz JGQVYZQNUYBWKA-SVBPBHIXSA-N 0 0 512.610 3.686 50 0 KHAARN CC(=O)c1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cc1 ZINC000952861957 1066522095 /nfs/dbraw/zinc/52/20/95/1066522095.db2.gz JMFNNCPNARIPDM-ACHIHNKUSA-N 0 0 613.711 3.755 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccncc3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952861962 1066522055 /nfs/dbraw/zinc/52/20/55/1066522055.db2.gz JNIWQGZLQKIBEK-NSOVKSMOSA-N 0 0 558.635 3.631 50 0 KHAARN Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)cc(=O)[nH]1 ZINC000952861969 1066522209 /nfs/dbraw/zinc/52/22/09/1066522209.db2.gz HHCKAPPLVNYJSQ-BHBYDHKZSA-N 0 0 536.592 3.542 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCn3cccn3)C[C@@H]1NC(=O)CC2 ZINC000952861980 1066522205 /nfs/dbraw/zinc/52/22/05/1066522205.db2.gz DWCFXZBMTGPPNX-LOSJGSFVSA-N 0 0 518.614 3.713 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCCCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861997 1066522231 /nfs/dbraw/zinc/52/22/31/1066522231.db2.gz KANJKKVRFSPBGY-YTMVLYRLSA-N 0 0 583.689 3.784 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccccc3O)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861998 1066522105 /nfs/dbraw/zinc/52/21/05/1066522105.db2.gz KCVVOYJZMFQMIC-XTEPFMGCSA-N 0 0 559.619 3.585 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862004 1066522177 /nfs/dbraw/zinc/52/21/77/1066522177.db2.gz HSPAFNLYAJKIFJ-XZWHSSHBSA-N 0 0 602.732 3.970 50 0 KHAARN COc1ccc(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC)cc(c4)C(=O)NCCCC(=O)N[C@H]3C2)c(OC)c1 ZINC000952862052 1066522200 /nfs/dbraw/zinc/52/22/00/1066522200.db2.gz KWXBBHZVZKYPTN-KYJUHHDHSA-N 0 0 617.699 3.873 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ncccc3O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862063 1066522646 /nfs/dbraw/zinc/52/26/46/1066522646.db2.gz JCJYHERUTCQXFI-XCZPVHLTSA-N 0 0 588.661 3.759 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862070 1066522612 /nfs/dbraw/zinc/52/26/12/1066522612.db2.gz JLKKQURIVHGPLT-VMPREFPWSA-N 0 0 620.751 3.727 50 0 KHAARN COc1cc2c(cc1CN1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCCO2 ZINC000952862078 1066522430 /nfs/dbraw/zinc/52/24/30/1066522430.db2.gz JXYZOESKOXPZIQ-HVNZXBJASA-N 0 0 587.673 3.929 50 0 KHAARN CCc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)o1 ZINC000952862094 1066522628 /nfs/dbraw/zinc/52/26/28/1066522628.db2.gz KVRKKYSDHDNJGS-IZZNHLLZSA-N 0 0 560.651 3.658 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCC(F)(F)F)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862110 1066522594 /nfs/dbraw/zinc/52/25/94/1066522594.db2.gz LIXUKKBHJMORIQ-ZEQRLZLVSA-N 0 0 547.574 3.828 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3c(C)nn(C)c3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952862112 1066522527 /nfs/dbraw/zinc/52/25/27/1066522527.db2.gz LJSGUFKXDGUTPW-XZWHSSHBSA-N 0 0 603.720 3.549 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862125 1066522602 /nfs/dbraw/zinc/52/26/02/1066522602.db2.gz LVDPBFDTXBGMKX-XZWHSSHBSA-N 0 0 630.742 3.539 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cn4cccnc4n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862126 1066522670 /nfs/dbraw/zinc/52/26/70/1066522670.db2.gz LVTRQVLGHPMTPU-YTMVLYRLSA-N 0 0 612.687 3.701 50 0 KHAARN Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952862142 1066522672 /nfs/dbraw/zinc/52/26/72/1066522672.db2.gz GFGJHXRZIDLVEQ-ZCYQVOJMSA-N 0 0 549.031 3.652 50 0 KHAARN CC(=O)c1cc(CN2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cs1 ZINC000952862228 1066522660 /nfs/dbraw/zinc/52/26/60/1066522660.db2.gz HMXWJTXHDPAOOQ-UHFFFAOYSA-N 0 0 507.660 3.509 50 0 KHAARN Cc1nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cs1 ZINC000952862282 1066522547 /nfs/dbraw/zinc/52/25/47/1066522547.db2.gz HYHZONNVUJTVJN-LADGPHEKSA-N 0 0 534.638 3.554 50 0 KHAARN CCn1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4ccc(cc4OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]3C2)c(C)n1 ZINC000952862288 1066522537 /nfs/dbraw/zinc/52/25/37/1066522537.db2.gz IARWJBCVDHKBLN-XZWHSSHBSA-N 0 0 647.773 3.740 50 0 KHAARN COc1ccc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1O ZINC000952862305 1066522553 /nfs/dbraw/zinc/52/25/53/1066522553.db2.gz IDNUXWJEPRRLGC-OUTSHDOLSA-N 0 0 533.625 3.533 50 0 KHAARN O=C(c1cc(-c2ccccc2)on1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952862308 1066522518 /nfs/dbraw/zinc/52/25/18/1066522518.db2.gz IEJCXJLCEMVTBY-UHFFFAOYSA-N 0 0 540.624 3.540 50 0 KHAARN CCc1nc(C)c(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CC(=O)N(CC)CC(=O)N[C@H]3C2)o1 ZINC000952862315 1066522414 /nfs/dbraw/zinc/52/24/14/1066522414.db2.gz NYJAMMNWJYNSTH-UIOOFZCWSA-N 0 0 560.651 3.658 50 0 KHAARN Cc1noc(C)c1CCC(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952862337 1066522577 /nfs/dbraw/zinc/52/25/77/1066522577.db2.gz ILPXSPYIPOSJJA-VMPREFPWSA-N 0 0 544.652 3.907 50 0 KHAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2N1 ZINC000952862342 1066522586 /nfs/dbraw/zinc/52/25/86/1066522586.db2.gz LPLCBLKJQPRTML-VMPREFPWSA-N 0 0 526.637 3.697 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862343 1066522461 /nfs/dbraw/zinc/52/24/61/1066522461.db2.gz OEBAMISJPGHKNB-SVBPBHIXSA-N 0 0 584.595 3.881 50 0 KHAARN CCCn1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC)cc(c4)C(=O)N(C)CC(=O)N[C@H]3C2)c(C)n1 ZINC000952862362 1066523047 /nfs/dbraw/zinc/52/30/47/1066523047.db2.gz IQFCKEWAFHUZPA-URLMMPGGSA-N 0 0 589.693 3.794 50 0 KHAARN O=C(c1cnoc1-c1ccccc1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952862364 1066522919 /nfs/dbraw/zinc/52/29/19/1066522919.db2.gz LVZAZEZZYGCYLU-UHFFFAOYSA-N 0 0 540.624 3.540 50 0 KHAARN CN(C)C(=O)c1ccc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952862375 1066522945 /nfs/dbraw/zinc/52/29/45/1066522945.db2.gz ISQKFSZKNWMTEW-YTMVLYRLSA-N 0 0 544.652 3.638 50 0 KHAARN COCc1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)s1 ZINC000952862382 1066522997 /nfs/dbraw/zinc/52/29/97/1066522997.db2.gz OXXQHOSSXASQQK-DQEYMECFSA-N 0 0 564.664 3.522 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCn3ccnc3C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862391 1066522955 /nfs/dbraw/zinc/52/29/55/1066522955.db2.gz IXLNZUQMAOXSPA-KYJUHHDHSA-N 0 0 603.720 3.939 50 0 KHAARN CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862405 1066522850 /nfs/dbraw/zinc/52/28/50/1066522850.db2.gz JCFNSONVJUKLAM-BHDXBOSCSA-N 0 0 555.679 3.872 50 0 KHAARN O=C(CCc1cccnc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862407 1066523064 /nfs/dbraw/zinc/52/30/64/1066523064.db2.gz JDOWSEIRAUBSEC-IGYGKHONSA-N 0 0 534.620 3.847 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862418 1066522902 /nfs/dbraw/zinc/52/29/02/1066522902.db2.gz MQZOWIHYSMQQSG-URLMMPGGSA-N 0 0 617.747 3.858 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952862420 1066522911 /nfs/dbraw/zinc/52/29/11/1066522911.db2.gz MRMWVGWFDLNIIT-NYDCQLBNSA-N 0 0 630.717 3.837 50 0 KHAARN CCc1ocnc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3ccc(cc3OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]2C1 ZINC000952862439 1066522932 /nfs/dbraw/zinc/52/29/32/1066522932.db2.gz KEYLDHMGNBJKPS-XTEPFMGCSA-N 0 0 634.730 3.765 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3n[nH]c(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862446 1066522972 /nfs/dbraw/zinc/52/29/72/1066522972.db2.gz NUGXIRFGMNOBQR-SVBPBHIXSA-N 0 0 622.748 3.563 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3cccnc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952862452 1066523021 /nfs/dbraw/zinc/52/30/21/1066523021.db2.gz NWJSVOFRYSGSGW-VMPREFPWSA-N 0 0 572.662 3.641 50 0 KHAARN COCc1ccc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1 ZINC000952862455 1066523010 /nfs/dbraw/zinc/52/30/10/1066523010.db2.gz NXMLBWJWNIKRGL-XCZPVHLTSA-N 0 0 543.620 3.545 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1NC(=O)CC2 ZINC000952862461 1066522862 /nfs/dbraw/zinc/52/28/62/1066522862.db2.gz ABHVIWHCUQOYNC-BJKOFHAPSA-N 0 0 516.598 3.562 50 0 KHAARN CCOc1ncccc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952862470 1066523053 /nfs/dbraw/zinc/52/30/53/1066523053.db2.gz OGOHTCZXDBJBME-WUFINQPMSA-N 0 0 572.662 3.593 50 0 KHAARN CCc1ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)s1 ZINC000952862472 1066522836 /nfs/dbraw/zinc/52/28/36/1066522836.db2.gz AFQDCSJPMQBVMR-UIOOFZCWSA-N 0 0 607.729 3.866 50 0 KHAARN CCn1ncc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4ccc(cc4OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]3C2)c1C ZINC000952862475 1066522877 /nfs/dbraw/zinc/52/28/77/1066522877.db2.gz AAGXZLALDIVCGM-XZWHSSHBSA-N 0 0 647.773 3.740 50 0 KHAARN CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@H](C(=O)N(C)Cc2cccnc2)NC1=O ZINC000952862480 1066523036 /nfs/dbraw/zinc/52/30/36/1066523036.db2.gz OHYFQAADZYTTEL-IZZNHLLZSA-N 0 0 500.599 3.718 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(Cc3nccs3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952862503 1066523032 /nfs/dbraw/zinc/52/30/32/1066523032.db2.gz AQZCTWUMWMZLHP-IGKIAQTJSA-N 0 0 562.692 3.767 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3nc4ccccc4[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862520 1066522889 /nfs/dbraw/zinc/52/28/89/1066522889.db2.gz OWOUWKPKXRFSOV-KYJUHHDHSA-N 0 0 614.703 3.583 50 0 KHAARN CCc1cnc(C)nc1N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952862552 1066523560 /nfs/dbraw/zinc/52/35/60/1066523560.db2.gz BGKXJWWUGFORDX-WUFINQPMSA-N 0 0 543.668 3.825 50 0 KHAARN Cc1cn2cccc(C(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5ccc(cc5)CCC(=O)N(CCCO)CC(=O)N[C@H]4C3)c2n1 ZINC000952862555 1066523584 /nfs/dbraw/zinc/52/35/84/1066523584.db2.gz BCDARQBYIBRYJC-CONSDPRKSA-N 0 0 625.726 3.508 50 0 KHAARN CCSCCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862559 1066523404 /nfs/dbraw/zinc/52/34/04/1066523404.db2.gz BJOVYIXXPIIKGQ-XTEPFMGCSA-N 0 0 517.655 3.962 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc4c(cc3C)OCCO4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862566 1066523368 /nfs/dbraw/zinc/52/33/68/1066523368.db2.gz BNFUNKBSPQSHBD-YZNIXAGQSA-N 0 0 557.647 3.838 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C)nc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862573 1066523543 /nfs/dbraw/zinc/52/35/43/1066523543.db2.gz BOXNBACKMFREER-XZWHSSHBSA-N 0 0 645.757 3.622 50 0 KHAARN O=C1N[C@@H](CC2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCCOc2cc(Cl)ccc21 ZINC000952862583 1066523576 /nfs/dbraw/zinc/52/35/76/1066523576.db2.gz BRERDJBAJAANAQ-SVBPBHIXSA-N 0 0 593.128 3.827 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ncoc3C3CC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952862589 1066523571 /nfs/dbraw/zinc/52/35/71/1066523571.db2.gz PFQLNNHOUMTCBG-IZZNHLLZSA-N 0 0 558.635 3.665 50 0 KHAARN COc1ccc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1 ZINC000952862597 1066523526 /nfs/dbraw/zinc/52/35/26/1066523526.db2.gz BSGGTUUTWSILBO-WNJJXGMVSA-N 0 0 517.626 3.827 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc4c(cc3OC)OCO4)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862602 1066523455 /nfs/dbraw/zinc/52/34/55/1066523455.db2.gz PHKZUQAKTDWZRV-CMVGPNDKSA-N 0 0 647.725 3.532 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C(C)C)no3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862627 1066523394 /nfs/dbraw/zinc/52/33/94/1066523394.db2.gz CDPGIHACUCILCT-SVBPBHIXSA-N 0 0 560.651 3.911 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862634 1066523420 /nfs/dbraw/zinc/52/34/20/1066523420.db2.gz COTUJDFVOGIJIK-XZWHSSHBSA-N 0 0 602.732 3.970 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)[nH]c(=O)c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862638 1066523614 /nfs/dbraw/zinc/52/36/14/1066523614.db2.gz CQICWVKYKYKVMJ-WUFINQPMSA-N 0 0 604.704 3.665 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862651 1066523550 /nfs/dbraw/zinc/52/35/50/1066523550.db2.gz CSULTMXZPYARRW-RRPNLBNLSA-N 0 0 585.657 3.837 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(Cc3ncccc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862666 1066523466 /nfs/dbraw/zinc/52/34/66/1066523466.db2.gz QEJNIBRVPWZVOC-VMPREFPWSA-N 0 0 528.653 3.863 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3cccnc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952862722 1066523619 /nfs/dbraw/zinc/52/36/19/1066523619.db2.gz DJWBOPCKJPNOAC-WUFINQPMSA-N 0 0 530.625 3.634 50 0 KHAARN CCCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4ccc(cc4OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]3C2)[nH]n1 ZINC000952862723 1066523495 /nfs/dbraw/zinc/52/34/95/1066523495.db2.gz QLRCRDAMORDOHU-XZWHSSHBSA-N 0 0 647.773 3.891 50 0 KHAARN CCOc1ncccc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952862729 1066523515 /nfs/dbraw/zinc/52/35/15/1066523515.db2.gz DMJPMLAQODFDTP-NSOVKSMOSA-N 0 0 572.662 3.593 50 0 KHAARN Cc1ncccc1C(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952862770 1066523593 /nfs/dbraw/zinc/52/35/93/1066523593.db2.gz LMXWHHXHMPMVCG-NSOVKSMOSA-N 0 0 512.610 3.686 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cccc(-n4cccn4)c3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862771 1066523329 /nfs/dbraw/zinc/52/33/29/1066523329.db2.gz QTANKQSCHHEAPO-VBTAUBHQSA-N 0 0 639.753 3.980 50 0 KHAARN Cc1nc(C)c(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)s1 ZINC000952862779 1066523857 /nfs/dbraw/zinc/52/38/57/1066523857.db2.gz DNXJXFNOMPLDTD-VMPREFPWSA-N 0 0 620.772 3.554 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cncc(C(=O)N4CCCC4)n3)C[C@@H]1NC(=O)CC2 ZINC000952862794 1066523868 /nfs/dbraw/zinc/52/38/68/1066523868.db2.gz LQZMUOPMOOWDAP-IZZNHLLZSA-N 0 0 557.651 3.740 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862816 1066524003 /nfs/dbraw/zinc/52/40/03/1066524003.db2.gz DSYOIYUHALOQLW-SVBPBHIXSA-N 0 0 519.642 3.676 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccnc3OC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862823 1066523894 /nfs/dbraw/zinc/52/38/94/1066523894.db2.gz FEANLNSBCGNBCC-URLMMPGGSA-N 0 0 646.741 3.619 50 0 KHAARN CC(C)n1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cn1 ZINC000952862830 1066523906 /nfs/dbraw/zinc/52/39/06/1066523906.db2.gz FGLKAJAZPKDYHK-WUFINQPMSA-N 0 0 559.667 3.577 50 0 KHAARN CC(C)c1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cs1 ZINC000952862836 1066524085 /nfs/dbraw/zinc/52/40/85/1066524085.db2.gz MDMRHYKDJZDADA-UNMCSNQZSA-N 0 0 530.050 3.739 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cnc(SC)nc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952862851 1066524044 /nfs/dbraw/zinc/52/40/44/1066524044.db2.gz MLDBKNWJTNAXJE-SVBPBHIXSA-N 0 0 577.707 3.799 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCn3nccc3C)C[C@@H]1NC(=O)CC2 ZINC000952862947 1066523920 /nfs/dbraw/zinc/52/39/20/1066523920.db2.gz OAWBFPPBYXNRFW-LOSJGSFVSA-N 0 0 518.614 3.631 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862966 1066524016 /nfs/dbraw/zinc/52/40/16/1066524016.db2.gz OLCKVEPHBOVEOE-AHWVRZQESA-N 0 0 531.657 3.779 50 0 KHAARN Cc1ncsc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952862982 1066523987 /nfs/dbraw/zinc/52/39/87/1066523987.db2.gz PNXUIPVMZLCZKE-LOSJGSFVSA-N 0 0 548.665 3.565 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3scc4c3OCCO4)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863007 1066524122 /nfs/dbraw/zinc/52/41/22/1066524122.db2.gz OYNFJGVESIJUOG-LOSJGSFVSA-N 0 0 607.685 3.712 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3scc4c3OCCO4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863024 1066523829 /nfs/dbraw/zinc/52/38/29/1066523829.db2.gz ANEGKZKLTSYWBK-DQEYMECFSA-N 0 0 607.685 3.760 50 0 KHAARN CCNc1ncc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC(C)C)cc(c4)C(=O)N(CC)CC(=O)N[C@H]3C2)cn1 ZINC000952863033 1066523931 /nfs/dbraw/zinc/52/39/31/1066523931.db2.gz QURMAGPQJFNFFR-VMPREFPWSA-N 0 0 616.719 3.880 50 0 KHAARN COc1ccccc1CCC(=O)N1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863048 1066524110 /nfs/dbraw/zinc/52/41/10/1066524110.db2.gz AVPIHIVBNNFVSP-YZNIXAGQSA-N 0 0 559.663 3.787 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C(C)C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863068 1066523882 /nfs/dbraw/zinc/52/38/82/1066523882.db2.gz FKIBPWDFHFWESC-IZZNHLLZSA-N 0 0 539.673 3.598 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3c(C)noc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863073 1066524070 /nfs/dbraw/zinc/52/40/70/1066524070.db2.gz FFKJYKXFIWNGIO-URLMMPGGSA-N 0 0 590.677 3.803 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(CC(C)C)on3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863079 1066524057 /nfs/dbraw/zinc/52/40/57/1066524057.db2.gz SASRIJWYGONHMG-RRPNLBNLSA-N 0 0 560.651 3.976 50 0 KHAARN O=C(c1ccnc(N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)c1)N1CCOCC1 ZINC000952863087 1066524134 /nfs/dbraw/zinc/52/41/34/1066524134.db2.gz SBNVPOPYOGVIEL-UHFFFAOYSA-N 0 0 526.637 3.848 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3cccnc3N)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863094 1066524458 /nfs/dbraw/zinc/52/44/58/1066524458.db2.gz FJLFTAWDIFRYJG-WUFINQPMSA-N 0 0 575.710 3.593 50 0 KHAARN Cc1nc(C(C)C)sc1C(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863105 1066524583 /nfs/dbraw/zinc/52/45/83/1066524583.db2.gz FTBHFCOQGLDGDH-UHFFFAOYSA-N 0 0 536.702 3.773 50 0 KHAARN CC(C)Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n(C)n1 ZINC000952863121 1066524434 /nfs/dbraw/zinc/52/44/34/1066524434.db2.gz STGVNQRWHLNBLT-MFMCTBQISA-N 0 0 587.721 3.732 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3ccc(C(=O)N(C)C)o3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863144 1066524607 /nfs/dbraw/zinc/52/46/07/1066524607.db2.gz BXKPBGWWLPWOLE-WUFINQPMSA-N 0 0 590.677 3.534 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cccnc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863159 1066524543 /nfs/dbraw/zinc/52/45/43/1066524543.db2.gz GKIQQAOGGMMKOX-NSOVKSMOSA-N 0 0 530.625 3.682 50 0 KHAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)n[nH]1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863170 1066524497 /nfs/dbraw/zinc/52/44/97/1066524497.db2.gz UFXVRZWQCBGSBQ-PMERELPUSA-N 0 0 697.196 3.955 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3cccc(O)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863174 1066524368 /nfs/dbraw/zinc/52/43/68/1066524368.db2.gz UKJRPPPXBSEVME-IZEXYCQBSA-N 0 0 599.684 3.585 50 0 KHAARN Cc1noc(C)c1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952863202 1066524638 /nfs/dbraw/zinc/52/46/38/1066524638.db2.gz SXJMEGWIPGQNDO-URLMMPGGSA-N 0 0 574.678 3.723 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863207 1066524379 /nfs/dbraw/zinc/52/43/79/1066524379.db2.gz HCAAHWZKHCWTNA-IZEXYCQBSA-N 0 0 630.702 3.690 50 0 KHAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCc3cccnc3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952863210 1066524446 /nfs/dbraw/zinc/52/44/46/1066524446.db2.gz SZPVPYVLLFVZMB-IGYGKHONSA-N 0 0 524.621 3.513 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(C)n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863229 1066524654 /nfs/dbraw/zinc/52/46/54/1066524654.db2.gz CSXPWNOZSHFWOH-XZWHSSHBSA-N 0 0 630.742 3.918 50 0 KHAARN O=C(c1ccc(O)cc1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952863266 1066524669 /nfs/dbraw/zinc/52/46/69/1066524669.db2.gz UNSUWKSZKRRGHJ-FIBWVYCGSA-N 0 0 521.577 3.838 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccccc3N3CCOCC3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863275 1066524647 /nfs/dbraw/zinc/52/46/47/1066524647.db2.gz DERWHIBQBKDPFP-XDFJSJKPSA-N 0 0 628.726 3.716 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCN3Cc4ccccc4C3=O)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863295 1066524571 /nfs/dbraw/zinc/52/45/71/1066524571.db2.gz HPTIZRWODCFFOA-IOWSJCHKSA-N 0 0 626.710 3.612 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)CCC(F)(F)F)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952863303 1066524522 /nfs/dbraw/zinc/52/45/22/1066524522.db2.gz HTKMKSUBUOVPDK-BJKOFHAPSA-N 0 0 547.574 3.828 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cscn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863348 1066524362 /nfs/dbraw/zinc/52/43/62/1066524362.db2.gz DWNUGNKREZDKCI-AHKZPQOWSA-N 0 0 622.744 3.671 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(C)nc(C)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863361 1066524662 /nfs/dbraw/zinc/52/46/62/1066524662.db2.gz VNPAXIKQCSUSHG-IZEXYCQBSA-N 0 0 598.700 3.963 50 0 KHAARN CC(=O)c1c(C)nn(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c1C ZINC000952863367 1066524989 /nfs/dbraw/zinc/52/49/89/1066524989.db2.gz IMSSVJLBGYVNCK-WUFINQPMSA-N 0 0 601.704 3.581 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863381 1066525005 /nfs/dbraw/zinc/52/50/05/1066525005.db2.gz ILMVZDSRNNCTJN-WUFINQPMSA-N 0 0 593.721 3.701 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863390 1066524952 /nfs/dbraw/zinc/52/49/52/1066524952.db2.gz INKRAEPJNBYOCK-IZZNHLLZSA-N 0 0 500.599 3.544 50 0 KHAARN O=C(c1cscn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863391 1066525120 /nfs/dbraw/zinc/52/51/20/1066525120.db2.gz INWMFDSBPIOIME-RPLLCQBOSA-N 0 0 512.595 3.589 50 0 KHAARN CC(C)Cc1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)on1 ZINC000952863418 1066524916 /nfs/dbraw/zinc/52/49/16/1066524916.db2.gz FRPMFZCPBFZJFY-BHBYDHKZSA-N 0 0 528.609 3.644 50 0 KHAARN COc1nc2c(cc1C(=O)N1CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C1)CCC2 ZINC000952863419 1066525031 /nfs/dbraw/zinc/52/50/31/1066525031.db2.gz IVSAXDRENMNARC-WUFINQPMSA-N 0 0 584.673 3.681 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3cccnc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863420 1066524905 /nfs/dbraw/zinc/52/49/05/1066524905.db2.gz IWDSRBPXHJWXJK-URLMMPGGSA-N 0 0 572.662 3.593 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863423 1066524980 /nfs/dbraw/zinc/52/49/80/1066524980.db2.gz IWWHCFUTUWFHGZ-SMCANUKXSA-N 0 0 625.726 3.638 50 0 KHAARN CCNc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)s1 ZINC000952863430 1066524942 /nfs/dbraw/zinc/52/49/42/1066524942.db2.gz AKOLOQNCOOGGEY-IZZNHLLZSA-N 0 0 591.734 3.996 50 0 KHAARN CCCn1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c(C)n1 ZINC000952863461 1066524926 /nfs/dbraw/zinc/52/49/26/1066524926.db2.gz BBIDEZZHVUIVKC-RRPNLBNLSA-N 0 0 559.667 3.704 50 0 KHAARN COc1cc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cc(OC)c1OC ZINC000952863464 1066525017 /nfs/dbraw/zinc/52/50/17/1066525017.db2.gz JOMFBEJNMRYYMO-RRPNLBNLSA-N 0 0 617.699 3.744 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)C[C@@H]1NC(=O)CC2 ZINC000952863469 1066525056 /nfs/dbraw/zinc/52/50/56/1066525056.db2.gz PIIWOXZQUQUNEY-FCHUYYIVSA-N 0 0 574.659 3.956 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc(SCCO)cc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863476 1066524898 /nfs/dbraw/zinc/52/48/98/1066524898.db2.gz ACBSPNRSKSUJAL-XZWHSSHBSA-N 0 0 619.740 3.964 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3csc(N)n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863488 1066516107 /nfs/dbraw/zinc/51/61/07/1066516107.db2.gz WSDOGYRHPDXDLP-AHWVRZQESA-N 0 0 593.706 3.697 50 0 KHAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1sc(C(C)C)nc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863534 1066516020 /nfs/dbraw/zinc/51/60/20/1066516020.db2.gz BMPZEPNCYIZKFQ-MHZLTWQESA-N 0 0 659.813 3.800 50 0 KHAARN O=C(c1ccc(Cl)cc1F)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863541 1066516011 /nfs/dbraw/zinc/51/60/11/1066516011.db2.gz QAHNSXNGBZKBDL-UHFFFAOYSA-N 0 0 526.012 3.677 50 0 KHAARN O=C(CCc1ccncc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863546 1066516575 /nfs/dbraw/zinc/51/65/75/1066516575.db2.gz QBJCNJWWKLGXSR-IGYGKHONSA-N 0 0 534.620 3.847 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C(C)C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863563 1066516548 /nfs/dbraw/zinc/51/65/48/1066516548.db2.gz XEQGHBMQGAVWMQ-RRPNLBNLSA-N 0 0 581.710 3.557 50 0 KHAARN O=C(c1cccnc1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863579 1066516578 /nfs/dbraw/zinc/51/65/78/1066516578.db2.gz XGVBTDOOANCSKM-WNJJXGMVSA-N 0 0 506.566 3.528 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3ccc4c(c3)OCO4)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863582 1066516476 /nfs/dbraw/zinc/51/64/76/1066516476.db2.gz XLVOKJGZIUROEI-WUFINQPMSA-N 0 0 601.656 3.537 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863647 1066518131 /nfs/dbraw/zinc/51/81/31/1066518131.db2.gz DDYYFLYCSZSCSL-IZEXYCQBSA-N 0 0 570.690 3.946 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cscn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863650 1066518104 /nfs/dbraw/zinc/51/81/04/1066518104.db2.gz DELIQXTYEVRCEJ-BJKOFHAPSA-N 0 0 506.628 3.605 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952863667 1066518996 /nfs/dbraw/zinc/51/89/96/1066518996.db2.gz RHWIQQJWVMWBTQ-VMPREFPWSA-N 0 0 601.700 3.859 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863675 1066519875 /nfs/dbraw/zinc/51/98/75/1066519875.db2.gz BUCNOLDCKXKKIN-NSOVKSMOSA-N 0 0 601.656 3.698 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3ccnc(C(C)C)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952863751 1066525562 /nfs/dbraw/zinc/52/55/62/1066525562.db2.gz SJXKDYNLOFQFBA-IZEXYCQBSA-N 0 0 617.747 3.708 50 0 KHAARN O=C(c1ccccn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863758 1066526050 /nfs/dbraw/zinc/52/60/50/1066526050.db2.gz SLRABBOEXPBRMD-LITSAYRRSA-N 0 0 506.566 3.528 50 0 KHAARN O=C(c1ccccn1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863762 1066526159 /nfs/dbraw/zinc/52/61/59/1066526159.db2.gz SLRABBOEXPBRMD-WNJJXGMVSA-N 0 0 506.566 3.528 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCn3nc(C)c(C)c3C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863771 1066526147 /nfs/dbraw/zinc/52/61/47/1066526147.db2.gz FXMWWPIRPCCOKL-KYJUHHDHSA-N 0 0 603.720 3.825 50 0 KHAARN COc1ccc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(OC)c1OC ZINC000952863781 1066526082 /nfs/dbraw/zinc/52/60/82/1066526082.db2.gz FXOBLBOHZCPACS-LSYYVWMOSA-N 0 0 575.662 3.785 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3csc(C)n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952863788 1066526164 /nfs/dbraw/zinc/52/61/64/1066526164.db2.gz DATHZMUEGZQEKN-WNJJXGMVSA-N 0 0 604.729 3.645 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCn3cccn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952863810 1066526140 /nfs/dbraw/zinc/52/61/40/1066526140.db2.gz VOUCSVGBUSCSIS-VMPREFPWSA-N 0 0 589.693 3.631 50 0 KHAARN COc1ccccc1-n1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)cn1 ZINC000952863839 1066526054 /nfs/dbraw/zinc/52/60/54/1066526054.db2.gz GJHLEXYYSKTWLY-YTMVLYRLSA-N 0 0 610.671 3.508 50 0 KHAARN CCc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952863889 1066526145 /nfs/dbraw/zinc/52/61/45/1066526145.db2.gz JJMAKRCYKSQKMC-UIOOFZCWSA-N 0 0 530.625 3.842 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3c(C)[nH]c4c3C(=O)CCC4)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952863909 1066526136 /nfs/dbraw/zinc/52/61/36/1066526136.db2.gz UDJOHUSMIYISMW-YTMVLYRLSA-N 0 0 598.700 3.955 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc4c(c3)CCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863911 1066525997 /nfs/dbraw/zinc/52/59/97/1066525997.db2.gz DSXRTHDXMWSTIM-YZNIXAGQSA-N 0 0 529.637 3.754 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cc(C4CCCCC4)no3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864045 1066526171 /nfs/dbraw/zinc/52/61/71/1066526171.db2.gz KSHUUKBFZFQCPT-KYJUHHDHSA-N 0 0 589.693 3.898 50 0 KHAARN O=C(c1cccnc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864046 1066526106 /nfs/dbraw/zinc/52/61/06/1066526106.db2.gz XGVBTDOOANCSKM-LITSAYRRSA-N 0 0 506.566 3.528 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)CCc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864052 1066526151 /nfs/dbraw/zinc/52/61/51/1066526151.db2.gz HVIOWYXPCLNQRG-URLMMPGGSA-N 0 0 556.663 3.514 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(=O)[nH]c4ccccc43)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864115 1066526056 /nfs/dbraw/zinc/52/60/56/1066526056.db2.gz LKBYYGHABSUAJO-WNJJXGMVSA-N 0 0 568.630 3.713 50 0 KHAARN CCCc1nc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)cs1 ZINC000952864161 1066526424 /nfs/dbraw/zinc/52/64/24/1066526424.db2.gz MBADDULUYKOYKI-LITSAYRRSA-N 0 0 530.650 3.866 50 0 KHAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3c(C)onc3-c3ccccc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864162 1066526537 /nfs/dbraw/zinc/52/65/37/1066526537.db2.gz LXIQJXZWULBYAM-CLLHQPRTSA-N 0 0 778.907 3.500 50 0 KHAARN Cc1oc2c(c1C(=O)N1CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C1)C(=O)CCC2 ZINC000952864165 1066526458 /nfs/dbraw/zinc/52/64/58/1066526458.db2.gz YIVHPFVAFCHEKH-AHWVRZQESA-N 0 0 586.645 3.734 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3noc4c3CCCC4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864180 1066526598 /nfs/dbraw/zinc/52/65/98/1066526598.db2.gz MIMOCRBUZWCECN-XCZPVHLTSA-N 0 0 588.661 3.794 50 0 KHAARN CCc1nccn1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(OC(C)C)cc(c3)C(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952864186 1066526518 /nfs/dbraw/zinc/52/65/18/1066526518.db2.gz MKLBZSSTUZKLDC-VMPREFPWSA-N 0 0 603.720 3.803 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c(C)cc(C)[nH]c3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952864193 1066526611 /nfs/dbraw/zinc/52/66/11/1066526611.db2.gz YTOUTFUHNRFPPC-WNJJXGMVSA-N 0 0 614.699 3.668 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952864199 1066526619 /nfs/dbraw/zinc/52/66/19/1066526619.db2.gz MFRIBUAOKWTKDM-VMPREFPWSA-N 0 0 579.694 3.771 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952864210 1066526586 /nfs/dbraw/zinc/52/65/86/1066526586.db2.gz MGDZYALXKXOERA-XZWHSSHBSA-N 0 0 602.732 3.970 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cnc(N4CCOCC4)s3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864253 1066526478 /nfs/dbraw/zinc/52/64/78/1066526478.db2.gz NGSXTTJDIJOQIB-VMPREFPWSA-N 0 0 621.760 3.580 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864259 1066526508 /nfs/dbraw/zinc/52/65/08/1066526508.db2.gz NIYJCVFUUXNMJG-WUFINQPMSA-N 0 0 584.673 3.768 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(C)c(C)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952864263 1066526564 /nfs/dbraw/zinc/52/65/64/1066526564.db2.gz NKWKDGOZXQSVCP-IZEXYCQBSA-N 0 0 598.700 3.963 50 0 KHAARN CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952864278 1066526546 /nfs/dbraw/zinc/52/65/46/1066526546.db2.gz NOYNWSFZDPMLNV-WNJJXGMVSA-N 0 0 573.694 3.814 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952864281 1066526399 /nfs/dbraw/zinc/52/63/99/1066526399.db2.gz NSZIMJLXAPIUFZ-WUFINQPMSA-N 0 0 617.699 3.984 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3ncc4ccccc43)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952864305 1066526431 /nfs/dbraw/zinc/52/64/31/1066526431.db2.gz ZUBGPOARBVVPHP-IGYGKHONSA-N 0 0 627.742 3.992 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCC3CCCC3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952864318 1066526413 /nfs/dbraw/zinc/52/64/13/1066526413.db2.gz ZZCXHUHCRIJHHI-NSOVKSMOSA-N 0 0 593.721 3.898 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3ccc(S(C)(=O)=O)cc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864321 1066526554 /nfs/dbraw/zinc/52/65/54/1066526554.db2.gz ONNOSPZESWTTQP-KYJUHHDHSA-N 0 0 607.729 3.691 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]1NC(=O)CC2 ZINC000952864335 1066526575 /nfs/dbraw/zinc/52/65/75/1066526575.db2.gz UWCGKLSWNWSRKS-URLMMPGGSA-N 0 0 598.700 3.983 50 0 KHAARN O=C(c1ccc(C(=O)N2CCOCC2)cc1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864353 1066526466 /nfs/dbraw/zinc/52/64/66/1066526466.db2.gz VBJKPNNVNBJNTE-MFACQUFMSA-N 0 0 618.694 3.605 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3noc4ccccc34)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864373 1066526606 /nfs/dbraw/zinc/52/66/06/1066526606.db2.gz GZRJXUBAFWXNEB-MFMCTBQISA-N 0 0 598.656 3.949 50 0 KHAARN O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CC[NH+](C3CCCC3)CC2)C(=O)NCCC(=O)N1 ZINC000952864385 1066526440 /nfs/dbraw/zinc/52/64/40/1066526440.db2.gz HAKVDSGSQFWVSV-SANMLTNESA-N 0 0 519.642 3.678 50 0 KHAARN O=C(c1cc2ccccc2o1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952864388 1066526983 /nfs/dbraw/zinc/52/69/83/1066526983.db2.gz VIUFKVPSRZFAGZ-UHFFFAOYSA-N 0 0 513.598 3.631 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cccc(O)c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952864410 1066526995 /nfs/dbraw/zinc/52/69/95/1066526995.db2.gz GOWXYDXMKYSNAM-URLMMPGGSA-N 0 0 589.689 3.961 50 0 KHAARN Cc1nc(CCNC(=O)[C@@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@@H](CC(C)C)C(=O)N2)nc2c1CCC2 ZINC000952864415 1066527062 /nfs/dbraw/zinc/52/70/62/1066527062.db2.gz VSVIDWORMICDRI-NSOVKSMOSA-N 0 0 555.679 3.610 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C(C)(C)C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864419 1066526880 /nfs/dbraw/zinc/52/68/80/1066526880.db2.gz GQQCPDDLCKWMDL-RRPNLBNLSA-N 0 0 595.737 3.947 50 0 KHAARN Cc1noc(C)c1CN1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952864422 1066526939 /nfs/dbraw/zinc/52/69/39/1066526939.db2.gz HCNPLJRYYQDKST-IZZNHLLZSA-N 0 0 518.614 3.754 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cc(OC)ccc3F)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864445 1066526799 /nfs/dbraw/zinc/52/67/99/1066526799.db2.gz HSKWPVHENBZECW-CONSDPRKSA-N 0 0 622.694 3.854 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)COc3ccccc3OC)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864473 1066527007 /nfs/dbraw/zinc/52/70/07/1066527007.db2.gz ICWAOTMPXKNYOM-WUFINQPMSA-N 0 0 603.672 3.653 50 0 KHAARN O=C(c1cccc(O)c1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952864477 1066526837 /nfs/dbraw/zinc/52/68/37/1066526837.db2.gz IFLSJPJLNXZYEQ-BHBYDHKZSA-N 0 0 521.577 3.838 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3sc(C)nc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864491 1066527129 /nfs/dbraw/zinc/52/71/29/1066527129.db2.gz IILRHRUCTZADLG-RRPNLBNLSA-N 0 0 592.718 3.882 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccccc3-n3cccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952864492 1066527087 /nfs/dbraw/zinc/52/70/87/1066527087.db2.gz HZJUDBKZBZEUEM-IGYGKHONSA-N 0 0 593.684 3.985 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c(C)nc4cc(C)ccn43)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864531 1066527019 /nfs/dbraw/zinc/52/70/19/1066527019.db2.gz XAJAVLGLILRLBG-LSYYVWMOSA-N 0 0 569.662 3.723 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCc3scnc3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864540 1066527117 /nfs/dbraw/zinc/52/71/17/1066527117.db2.gz JVVYVAAJOVZMDS-RRPNLBNLSA-N 0 0 592.718 3.963 50 0 KHAARN CCCc1ncncc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952864544 1066527050 /nfs/dbraw/zinc/52/70/50/1066527050.db2.gz IYCCJVAXOOCARZ-VMPREFPWSA-N 0 0 571.678 3.542 50 0 KHAARN CCCc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CC(=O)N(CC)CC(=O)N[C@H]3C2)no1 ZINC000952864577 1066526910 /nfs/dbraw/zinc/52/69/10/1066526910.db2.gz XMSHQUQMVILWMP-NSOVKSMOSA-N 0 0 560.651 3.740 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3ccc(C(C)C)nn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864579 1066526924 /nfs/dbraw/zinc/52/69/24/1066526924.db2.gz XNHXETDWGCTMPK-AHWVRZQESA-N 0 0 515.614 3.677 50 0 KHAARN O=C(CCc1cccnc1)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864580 1066526893 /nfs/dbraw/zinc/52/68/93/1066526893.db2.gz JDOWSEIRAUBSEC-SMCANUKXSA-N 0 0 534.620 3.847 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)C3CCCC3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864616 1066527075 /nfs/dbraw/zinc/52/70/75/1066527075.db2.gz JJITVWPBUVKTNC-SVBPBHIXSA-N 0 0 535.641 3.804 50 0 KHAARN CC(C)Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)no1 ZINC000952864632 1066527513 /nfs/dbraw/zinc/52/75/13/1066527513.db2.gz JMXJPFGGQMJXFS-URLMMPGGSA-N 0 0 574.678 3.986 50 0 KHAARN Cc1nc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)c1C ZINC000952864644 1066527380 /nfs/dbraw/zinc/52/73/80/1066527380.db2.gz NWGWLNSGFQLYTP-NSOVKSMOSA-N 0 0 515.658 3.693 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)OCCO4)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864648 1066527495 /nfs/dbraw/zinc/52/74/95/1066527495.db2.gz YJNKJWNKIOGGFZ-WUFINQPMSA-N 0 0 601.656 3.651 50 0 KHAARN CCc1nc(C)c(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)o1 ZINC000952864649 1066527423 /nfs/dbraw/zinc/52/74/23/1066527423.db2.gz KVFIISZYBRVPKZ-BHBYDHKZSA-N 0 0 528.609 3.658 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3ccc4c(c3)OCO4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864662 1066527431 /nfs/dbraw/zinc/52/74/31/1066527431.db2.gz KXWANTSQEUORED-VMPREFPWSA-N 0 0 615.683 3.975 50 0 KHAARN O=C(c1cccs1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952864673 1066527572 /nfs/dbraw/zinc/52/75/72/1066527572.db2.gz JTKDZRDDYQSNBM-SVBPBHIXSA-N 0 0 577.703 3.614 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864696 1066527479 /nfs/dbraw/zinc/52/74/79/1066527479.db2.gz OZLGEYCIZYXKKH-XCZPVHLTSA-N 0 0 585.636 3.733 50 0 KHAARN COc1ccccc1-c1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)[nH]n1 ZINC000952864698 1066527397 /nfs/dbraw/zinc/52/73/97/1066527397.db2.gz YYBZWYKFXLWXJR-FIBWVYCGSA-N 0 0 595.656 3.798 50 0 KHAARN CC(C)c1ccc(C(=O)N2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)c(=O)[nH]1 ZINC000952864701 1066527416 /nfs/dbraw/zinc/52/74/16/1066527416.db2.gz OJPYPBWHJLXWBD-NSOVKSMOSA-N 0 0 572.662 3.681 50 0 KHAARN CCn1nc(C)c(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952864703 1066527545 /nfs/dbraw/zinc/52/75/45/1066527545.db2.gz OKDPXTGLJQKVII-XCZPVHLTSA-N 0 0 531.657 3.592 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864717 1066527616 /nfs/dbraw/zinc/52/76/16/1066527616.db2.gz LOHURRYZYZRUTH-KYJUHHDHSA-N 0 0 600.720 3.700 50 0 KHAARN CCc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952864762 1066527375 /nfs/dbraw/zinc/52/73/75/1066527375.db2.gz LUFYLOJZRHZWNP-LSYYVWMOSA-N 0 0 602.688 3.810 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C3CCCC3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864765 1066527439 /nfs/dbraw/zinc/52/74/39/1066527439.db2.gz LNIZVMXWHYCDEB-RRPNLBNLSA-N 0 0 535.641 3.756 50 0 KHAARN CN(C)c1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc1 ZINC000952864774 1066527565 /nfs/dbraw/zinc/52/75/65/1066527565.db2.gz LWJMTRNIFQVYGM-XZWHSSHBSA-N 0 0 570.690 3.866 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCc3ccccc3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952864816 1066527504 /nfs/dbraw/zinc/52/75/04/1066527504.db2.gz PJOLQONOOCYERJ-VMPREFPWSA-N 0 0 601.700 3.561 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)no3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952864828 1066527391 /nfs/dbraw/zinc/52/73/91/1066527391.db2.gz PRBKUGOWKPTRJT-SVBPBHIXSA-N 0 0 576.650 3.954 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ncoc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864906 1066527581 /nfs/dbraw/zinc/52/75/81/1066527581.db2.gz SAQDUYDPZDJSKY-RRPNLBNLSA-N 0 0 620.703 3.511 50 0 KHAARN CCc1ccc(CN2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952864909 1066527450 /nfs/dbraw/zinc/52/74/50/1066527450.db2.gz SDMYQKVUIAUADP-CONSDPRKSA-N 0 0 603.720 3.664 50 0 KHAARN CC(=O)NC1CCN(C(=O)[C@@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)CC1 ZINC000952864910 1066527854 /nfs/dbraw/zinc/52/78/54/1066527854.db2.gz QTDILJBOCCQTBH-GMTSZFNJSA-N 0 0 667.807 3.519 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3c(C)noc3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952864936 1066527881 /nfs/dbraw/zinc/52/78/81/1066527881.db2.gz SREAKWTTWGBZSD-IZEXYCQBSA-N 0 0 616.715 3.875 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3noc(C4CC4)n3)C[C@@H]1NC(=O)CC2 ZINC000952864968 1066528128 /nfs/dbraw/zinc/52/81/28/1066528128.db2.gz UEGCPEMLSJTWLD-XZOQPEGZSA-N 0 0 504.587 3.970 50 0 KHAARN CCCn1ncc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CC(=O)N(CC)CC(=O)N[C@H]3C2)c1C ZINC000952864971 1066528107 /nfs/dbraw/zinc/52/81/07/1066528107.db2.gz SOWGWPSEFJHWGC-VMPREFPWSA-N 0 0 573.694 3.715 50 0 KHAARN CCn1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)cc1=O ZINC000952865007 1066527865 /nfs/dbraw/zinc/52/78/65/1066527865.db2.gz KYPILIRIORNMOJ-LOSJGSFVSA-N 0 0 531.609 3.531 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865012 1066528076 /nfs/dbraw/zinc/52/80/76/1066528076.db2.gz LBFMVMLHIJTEPO-ACHIHNKUSA-N 0 0 628.726 3.835 50 0 KHAARN Cc1nc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cs1 ZINC000952865016 1066528135 /nfs/dbraw/zinc/52/81/35/1066528135.db2.gz LGHBVMLULLLYMP-AHWVRZQESA-N 0 0 518.639 3.748 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C4CC4)n[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952865019 1066527834 /nfs/dbraw/zinc/52/78/34/1066527834.db2.gz LKQXOEPKLXRWII-URLMMPGGSA-N 0 0 603.720 3.856 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cscn3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865025 1066527978 /nfs/dbraw/zinc/52/79/78/1066527978.db2.gz LQYBLTCJHBXRBU-UIOOFZCWSA-N 0 0 536.654 3.744 50 0 KHAARN O=C(CN1CCCC1=O)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952865028 1066527952 /nfs/dbraw/zinc/52/79/52/1066527952.db2.gz LVRSJQZJFDSTJZ-PMERELPUSA-N 0 0 541.604 3.793 50 0 KHAARN CC(=O)N1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCNC(=O)C[C@@H]1c1ccccc1 ZINC000952865075 1066528143 /nfs/dbraw/zinc/52/81/43/1066528143.db2.gz NGUPBIWAGYUCAC-AREMUKBSSA-N 0 0 539.076 3.521 50 0 KHAARN CC(=O)N1CCCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCNC(=O)C[C@H]1c1ccccc1 ZINC000952865077 1066527821 /nfs/dbraw/zinc/52/78/21/1066527821.db2.gz NGUPBIWAGYUCAC-SANMLTNESA-N 0 0 539.076 3.521 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccoc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952865078 1066528118 /nfs/dbraw/zinc/52/81/18/1066528118.db2.gz NNUHHXJAQPTLRR-RRPNLBNLSA-N 0 0 563.651 3.849 50 0 KHAARN CCc1ccc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952865095 1066528010 /nfs/dbraw/zinc/52/80/10/1066528010.db2.gz NUCFTFWEKLYRAW-XCZPVHLTSA-N 0 0 514.626 3.716 50 0 KHAARN CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(C(=O)CCCc3nc(-c4ccco4)no3)C[C@@H]1C(=O)NCCc1cccc(c1)O2 ZINC000952865110 1066527991 /nfs/dbraw/zinc/52/79/91/1066527991.db2.gz UPYMUBPIGXJZNK-GDLZYMKVSA-N 0 0 684.750 3.621 50 0 KHAARN CCOCCOc1cccc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1 ZINC000952865127 1066528089 /nfs/dbraw/zinc/52/80/89/1066528089.db2.gz NYPTWSXVGURGGF-JDXGNMNLSA-N 0 0 587.673 3.814 50 0 KHAARN Cc1cccc(=O)n1CCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952865143 1066528095 /nfs/dbraw/zinc/52/80/95/1066528095.db2.gz TZBJQPLZKREBKX-IOWSJCHKSA-N 0 0 628.726 3.564 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(CCOc3ccccc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865160 1066527892 /nfs/dbraw/zinc/52/78/92/1066527892.db2.gz UIJMMHPBZOGQIA-WNJJXGMVSA-N 0 0 517.626 3.698 50 0 KHAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)nc3c(C)cc(C)cc13)CCCNC(=O)CC2 ZINC000952865174 1066528629 /nfs/dbraw/zinc/52/86/29/1066528629.db2.gz NTIURFXQRPFHSV-SANMLTNESA-N 0 0 645.801 3.886 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(Cc3nccnc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865190 1066528607 /nfs/dbraw/zinc/52/86/07/1066528607.db2.gz VAXLPDPNHUBNFA-XZWHSSHBSA-N 0 0 617.747 3.673 50 0 KHAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cccc3cc(C)oc31)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865210 1066528535 /nfs/dbraw/zinc/52/85/35/1066528535.db2.gz PVYBOIWRQFRKHG-PMERELPUSA-N 0 0 650.736 3.966 50 0 KHAARN Cc1ncsc1C(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865217 1066528524 /nfs/dbraw/zinc/52/85/24/1066528524.db2.gz VJQSAOUGVYLGKL-LBNVMWSVSA-N 0 0 526.622 3.898 50 0 KHAARN CC(C)n1cc(C[NH+]2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)cn1 ZINC000952865227 1066528458 /nfs/dbraw/zinc/52/84/58/1066528458.db2.gz VMEGIGXKCFQESU-NDEPHWFRSA-N 0 0 573.694 3.713 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3c4c(nn3C)CCCC4)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865236 1066528512 /nfs/dbraw/zinc/52/85/12/1066528512.db2.gz VGYRRDNQUZJVRS-VMPREFPWSA-N 0 0 601.704 3.540 50 0 KHAARN CCc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cs1 ZINC000952865250 1066528445 /nfs/dbraw/zinc/52/84/45/1066528445.db2.gz QDXLBZHXVYUGCI-NDEPHWFRSA-N 0 0 630.771 3.536 50 0 KHAARN CCCc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)n1 ZINC000952865268 1066528432 /nfs/dbraw/zinc/52/84/32/1066528432.db2.gz OJTVFHOSRNZFSY-YTMVLYRLSA-N 0 0 543.668 3.669 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3cccc(O)c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865283 1066528543 /nfs/dbraw/zinc/52/85/43/1066528543.db2.gz OPPVIESGMDCIMM-WUFINQPMSA-N 0 0 543.620 3.505 50 0 KHAARN O=C(c1ccc2c(c1)OCC(=O)N2)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952865297 1066528503 /nfs/dbraw/zinc/52/85/03/1066528503.db2.gz VWLPVRLYICSYIT-XZWHSSHBSA-N 0 0 640.693 3.648 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cc3cccnc3)C[C@@H]1NC(=O)CC2 ZINC000952865303 1066528491 /nfs/dbraw/zinc/52/84/91/1066528491.db2.gz WCFVTFDCOBIDOL-LOSJGSFVSA-N 0 0 501.583 3.674 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)C[C@@H]1NC(=O)CC2 ZINC000952865307 1066528594 /nfs/dbraw/zinc/52/85/94/1066528594.db2.gz QUOBYGGRTFLEON-AZGAKELHSA-N 0 0 570.650 3.911 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3ccncc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865321 1066528558 /nfs/dbraw/zinc/52/85/58/1066528558.db2.gz WFBCSPGDEMZDRE-IZZNHLLZSA-N 0 0 500.599 3.544 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952865326 1066528586 /nfs/dbraw/zinc/52/85/86/1066528586.db2.gz WGEUXBLNCYZBDA-IZEXYCQBSA-N 0 0 601.700 3.743 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCCCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865354 1066528382 /nfs/dbraw/zinc/52/83/82/1066528382.db2.gz PJMCHTJSTHHOJX-FIBWVYCGSA-N 0 0 585.705 3.844 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(CN4CCS(=O)(=O)CC4)cc3)C[C@@H]1NC(=O)CC2 ZINC000952865364 1066528550 /nfs/dbraw/zinc/52/85/50/1066528550.db2.gz WLVYLLSWXKORAV-XZWHSSHBSA-N 0 0 633.767 3.580 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865371 1066528412 /nfs/dbraw/zinc/52/84/12/1066528412.db2.gz XEWQRRAEZCZKIE-FIBWVYCGSA-N 0 0 594.672 3.993 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cccc(OC)c3OC)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865374 1066528480 /nfs/dbraw/zinc/52/84/80/1066528480.db2.gz XHPCREQGWGBNJX-NSOVKSMOSA-N 0 0 603.672 3.944 50 0 KHAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc4c(cccc4Cl)[nH]3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952865381 1066528424 /nfs/dbraw/zinc/52/84/24/1066528424.db2.gz PNGNKITWQVFCBX-IFQILLIUSA-N 0 0 771.315 3.672 50 0 KHAARN CCSCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865409 1066528400 /nfs/dbraw/zinc/52/84/00/1066528400.db2.gz QBAPMMFQQYBXKQ-AHKZPQOWSA-N 0 0 503.628 3.572 50 0 KHAARN CCCn1ncc(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952865424 1066528884 /nfs/dbraw/zinc/52/88/84/1066528884.db2.gz QJPMFFHPINSXLY-VMPREFPWSA-N 0 0 543.668 3.898 50 0 KHAARN COc1cc(CN2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc2c1OCO2 ZINC000952865432 1066529138 /nfs/dbraw/zinc/52/91/38/1066529138.db2.gz QKWPWWUSSPTZOQ-OUTSHDOLSA-N 0 0 561.635 3.556 50 0 KHAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2ccc(F)cc2Cl)CCNC1=O ZINC000952865439 1066529029 /nfs/dbraw/zinc/52/90/29/1066529029.db2.gz QOLZIMFIOWMAAZ-RUZDIDTESA-N 0 0 575.060 3.608 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccnc(OC)c3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865464 1066529156 /nfs/dbraw/zinc/52/91/56/1066529156.db2.gz YKIHOIBOKXMBCN-URLMMPGGSA-N 0 0 646.741 3.619 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865477 1066529099 /nfs/dbraw/zinc/52/90/99/1066529099.db2.gz YNSUGRBODZJEGB-URLMMPGGSA-N 0 0 616.715 3.610 50 0 KHAARN CC(C)n1cccc1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865490 1066529063 /nfs/dbraw/zinc/52/90/63/1066529063.db2.gz ZIAJZSFDJQJMTK-BHBYDHKZSA-N 0 0 512.610 3.840 50 0 KHAARN COc1cc2c(cc1CN1C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C1)OCCO2 ZINC000952865492 1066528985 /nfs/dbraw/zinc/52/89/85/1066528985.db2.gz ZJKJKCQVNIMTID-QCDSWUKFSA-N 0 0 573.646 3.539 50 0 KHAARN CCCCC[NH+]1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1 ZINC000952865502 1066528830 /nfs/dbraw/zinc/52/88/30/1066528830.db2.gz PKDIJAQTLMAWFR-SANMLTNESA-N 0 0 521.658 3.926 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3csc(C)c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865506 1066529018 /nfs/dbraw/zinc/52/90/18/1066529018.db2.gz PKHOXRZUICIVJW-NSOVKSMOSA-N 0 0 608.717 3.717 50 0 KHAARN CCn1cc(Cl)c(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OC)cc(c4)C(=O)NCCCC(=O)N[C@H]3C2)n1 ZINC000952865532 1066529162 /nfs/dbraw/zinc/52/91/62/1066529162.db2.gz ZYENOEMLGGSEOI-UIOOFZCWSA-N 0 0 596.084 3.797 50 0 KHAARN O=C(c1ccc(CO)cc1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952865540 1066528932 /nfs/dbraw/zinc/52/89/32/1066528932.db2.gz QOYWKEJRCOKELZ-QCENPCRXSA-N 0 0 535.604 3.625 50 0 KHAARN Cc1ncsc1CCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865571 1066529022 /nfs/dbraw/zinc/52/90/22/1066529022.db2.gz RTEJYYUOXRQCMJ-LMSSTIIKSA-N 0 0 530.650 3.541 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCn3nc(C)c(C)c3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865585 1066528908 /nfs/dbraw/zinc/52/89/08/1066528908.db2.gz SAXOTIPOUKWSSQ-NYDCQLBNSA-N 0 0 629.758 3.849 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952865615 1066528897 /nfs/dbraw/zinc/52/88/97/1066528897.db2.gz SYYIPQVIMDUWPY-NSOVKSMOSA-N 0 0 560.651 3.986 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952865632 1066529086 /nfs/dbraw/zinc/52/90/86/1066529086.db2.gz UFVHEGGNFNUKFR-WUFINQPMSA-N 0 0 604.704 3.665 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ncccc3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865634 1066528918 /nfs/dbraw/zinc/52/89/18/1066528918.db2.gz 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ZINC000952865774 1066529654 /nfs/dbraw/zinc/52/96/54/1066529654.db2.gz VLSBXBQEOYJZRD-RRPNLBNLSA-N 0 0 514.626 3.852 50 0 KHAARN CCOCCOc1ccccc1C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952865812 1066529633 /nfs/dbraw/zinc/52/96/33/1066529633.db2.gz XTQMBRMZKJXTOI-FIBWVYCGSA-N 0 0 587.673 3.814 50 0 KHAARN CN1CC(=O)N[C@H]2CN(C(=O)c3ccc(O)cc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865825 1066529449 /nfs/dbraw/zinc/52/94/49/1066529449.db2.gz UCSXKPWACCDDKT-WUFINQPMSA-N 0 0 543.620 3.505 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(C(C)C)n(C)c3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865837 1066529594 /nfs/dbraw/zinc/52/95/94/1066529594.db2.gz WSSVWBUCXYKPCJ-IUDBTDONSA-N 0 0 642.753 3.773 50 0 KHAARN O=C(CCC(F)(F)F)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952865842 1066529496 /nfs/dbraw/zinc/52/94/96/1066529496.db2.gz YFMBSWQDUULIBY-UIOOFZCWSA-N 0 0 591.627 3.581 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc4ncccn4n3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952865884 1066529467 /nfs/dbraw/zinc/52/94/67/1066529467.db2.gz UTTAFSXGPMJXFU-VMPREFPWSA-N 0 0 612.687 3.701 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865886 1066529676 /nfs/dbraw/zinc/52/96/76/1066529676.db2.gz UXKFDWGTBXYLRV-QCDSWUKFSA-N 0 0 573.646 3.507 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CC3CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952865903 1066529429 /nfs/dbraw/zinc/52/94/29/1066529429.db2.gz VELRIJCJBDKZER-WUFINQPMSA-N 0 0 593.721 3.701 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865916 1066529566 /nfs/dbraw/zinc/52/95/66/1066529566.db2.gz VHRUUDGQJDACSU-OUTSHDOLSA-N 0 0 531.609 3.547 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccccc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865919 1066529534 /nfs/dbraw/zinc/52/95/34/1066529534.db2.gz XUQNRVHBZJQVPB-IZZNHLLZSA-N 0 0 513.594 3.789 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3c(C)cc(C)[nH]c3=O)CC[C@H]1OCc1cccc(c1)O2 ZINC000952865937 1066530124 /nfs/dbraw/zinc/53/01/24/1066530124.db2.gz ZMGFAEYMEPZGAO-RRPNLBNLSA-N 0 0 588.661 3.597 50 0 KHAARN COc1c(C)cnc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952865952 1066530207 /nfs/dbraw/zinc/53/02/07/1066530207.db2.gz YNPONOSTMNUIQJ-XCZPVHLTSA-N 0 0 544.652 3.779 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccncc3Cl)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865958 1066530256 /nfs/dbraw/zinc/53/02/56/1066530256.db2.gz YRIZNMRZWXXJNS-IGKIAQTJSA-N 0 0 523.033 3.867 50 0 KHAARN Cc1[nH]ccc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952865959 1066530005 /nfs/dbraw/zinc/53/00/05/1066530005.db2.gz ZXTUAVZCEASTOM-URLMMPGGSA-N 0 0 572.662 3.954 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc(C)cc(F)c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865961 1066529989 /nfs/dbraw/zinc/52/99/89/1066529989.db2.gz ZZBCVMAYOWEPII-KYJUHHDHSA-N 0 0 620.678 3.794 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)C3(COC)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952866007 1066530292 /nfs/dbraw/zinc/53/02/92/1066530292.db2.gz WBMLEKXNZTXBHN-NSOVKSMOSA-N 0 0 579.694 3.771 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN(C)Cc3ccncc3)C[C@@H]1NC(=O)CC2 ZINC000952866039 1066530074 /nfs/dbraw/zinc/53/00/74/1066530074.db2.gz XQMFORVGCIJQSM-RRPNLBNLSA-N 0 0 544.652 3.563 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cc(=O)[nH]c(C)n3)C[C@@H]1NC(=O)CC2 ZINC000952866064 1066530223 /nfs/dbraw/zinc/53/02/23/1066530223.db2.gz YOFXDTFZRKEFSW-BJKOFHAPSA-N 0 0 504.587 3.514 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)CSC)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952866078 1066530146 /nfs/dbraw/zinc/53/01/46/1066530146.db2.gz ZDTIESLGBHPCDQ-UIOOFZCWSA-N 0 0 555.697 3.707 50 0 KHAARN COCC1(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)CCC1 ZINC000952866081 1066530016 /nfs/dbraw/zinc/53/00/16/1066530016.db2.gz ZITNXJJHOLLCAR-BJKOFHAPSA-N 0 0 508.615 3.853 50 0 KHAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952866521 1066530172 /nfs/dbraw/zinc/53/01/72/1066530172.db2.gz AQKXOBRPNIPUMO-FIBWVYCGSA-N 0 0 605.663 3.574 50 0 KHAARN CCCNc1ncc(CN2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cn1 ZINC000952866982 1066530134 /nfs/dbraw/zinc/53/01/34/1066530134.db2.gz HWURTQZRAFDJHB-VMPREFPWSA-N 0 0 542.684 3.955 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952867105 1066530180 /nfs/dbraw/zinc/53/01/80/1066530180.db2.gz IPUDOKJKYLGWCI-URLMMPGGSA-N 0 0 588.705 3.580 50 0 KHAARN O=C(c1ccccc1O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952867260 1066530188 /nfs/dbraw/zinc/53/01/88/1066530188.db2.gz LFFBVSRHBRLCKS-FIBWVYCGSA-N 0 0 521.577 3.838 50 0 KHAARN Cc1nc(C(C)C)ncc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952867265 1066530159 /nfs/dbraw/zinc/53/01/59/1066530159.db2.gz LHNKZUFQVBQKJJ-CONSDPRKSA-N 0 0 629.758 3.774 50 0 KHAARN Cc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)s1 ZINC000952867552 1066530110 /nfs/dbraw/zinc/53/01/10/1066530110.db2.gz OVZRCLDZPATATQ-BJKOFHAPSA-N 0 0 548.665 3.862 50 0 KHAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3c(C)nn4c3nc(C)cc4C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952867877 1066530656 /nfs/dbraw/zinc/53/06/56/1066530656.db2.gz UYRTUPXRCWUMMU-VMPREFPWSA-N 0 0 626.714 3.895 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952867882 1066530679 /nfs/dbraw/zinc/53/06/79/1066530679.db2.gz VABUGCVOHYAPFJ-FIBWVYCGSA-N 0 0 613.715 3.553 50 0 KHAARN CCc1nc(C)c(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)o1 ZINC000952868025 1066530769 /nfs/dbraw/zinc/53/07/69/1066530769.db2.gz WXLVFZNXFRNCJS-BJKOFHAPSA-N 0 0 546.624 3.648 50 0 KHAARN COc1ccc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CCC(=O)N[C@H]3C2)c(OC)n1 ZINC000952868177 1066525042 /nfs/dbraw/zinc/52/50/42/1066525042.db2.gz CLNXHUKXOXQGIU-BJKOFHAPSA-N 0 0 547.608 3.762 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(CC(C)C)n[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952868189 1066525080 /nfs/dbraw/zinc/52/50/80/1066525080.db2.gz CVYOVZAAWJSJGZ-IZEXYCQBSA-N 0 0 615.731 3.872 50 0 KHAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3-c3cccc(C)c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952868208 1066524882 /nfs/dbraw/zinc/52/48/82/1066524882.db2.gz FIMQPQABXKKENM-DBZZIDSJSA-N 0 0 754.954 3.506 50 0 KHAARN O=C1COc2ccc3c(c2)CCN(C(=O)c2cc4c([nH]c2=O)CCCC4)[C@H]3c2cccc(c2)OCCCN1 ZINC000952868217 1066525067 /nfs/dbraw/zinc/52/50/67/1066525067.db2.gz FVHMLANDVQAWRP-NDEPHWFRSA-N 0 0 513.594 3.731 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952868243 1066524937 /nfs/dbraw/zinc/52/49/37/1066524937.db2.gz GZUFAMUDESJKGC-WUFINQPMSA-N 0 0 574.678 3.651 50 0 KHAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C(C)C)nn3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952868289 1066525655 /nfs/dbraw/zinc/52/56/55/1066525655.db2.gz IPVGLPBHXZAXJW-YTMVLYRLSA-N 0 0 573.694 3.657 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3ccc(F)c(OC)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952868409 1066525430 /nfs/dbraw/zinc/52/54/30/1066525430.db2.gz NHWSHAPEMJNSOK-SVEHJYQDSA-N 0 0 535.616 3.966 50 0 KHAARN O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2NC(=O)CCN1 ZINC000952868422 1066525479 /nfs/dbraw/zinc/52/54/79/1066525479.db2.gz OGTQLQNOBSAFIG-YTMVLYRLSA-N 0 0 555.635 3.800 50 0 KHAARN COc1ccccc1CN1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952868476 1066525627 /nfs/dbraw/zinc/52/56/27/1066525627.db2.gz PRHRNDVEQBVXPZ-SVEHJYQDSA-N 0 0 517.626 3.827 50 0 KHAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(CC(C)C)nc(=O)[nH]3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952868569 1066525389 /nfs/dbraw/zinc/52/53/89/1066525389.db2.gz CFESXZSMQZTAIF-URLMMPGGSA-N 0 0 617.703 3.573 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3cccc(Cl)c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952868744 1066525692 /nfs/dbraw/zinc/52/56/92/1066525692.db2.gz FBALPHQABNUKRU-KYJUHHDHSA-N 0 0 637.133 3.929 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952868778 1066525538 /nfs/dbraw/zinc/52/55/38/1066525538.db2.gz SYQIOHLWKQDZSS-BJKOFHAPSA-N 0 0 565.026 3.543 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3c(C)noc3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952869009 1066525597 /nfs/dbraw/zinc/52/55/97/1066525597.db2.gz GEVBOFUQZGWREN-RRPNLBNLSA-N 0 0 592.693 3.861 50 0 KHAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3CCCCC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952869501 1066525554 /nfs/dbraw/zinc/52/55/54/1066525554.db2.gz MLXKEQHFVFIHOP-VMPREFPWSA-N 0 0 594.709 3.613 50 0 KHAARN CC(C)c1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)on1 ZINC000952869684 1066525380 /nfs/dbraw/zinc/52/53/80/1066525380.db2.gz YRUDTVQKMVPEHD-VMPREFPWSA-N 0 0 604.704 3.664 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cncs3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952869698 1066525664 /nfs/dbraw/zinc/52/56/64/1066525664.db2.gz NEAPKECVIXOHHG-IZZNHLLZSA-N 0 0 622.744 3.671 50 0 KHAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(CC(C)C)nn3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952870163 1066525466 /nfs/dbraw/zinc/52/54/66/1066525466.db2.gz SSQPLUXLTBEVEO-XTEPFMGCSA-N 0 0 573.694 3.721 50 0 KHAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952870264 1066525418 /nfs/dbraw/zinc/52/54/18/1066525418.db2.gz ZGXWCRRYYVFMBU-HVNZXBJASA-N 0 0 613.667 3.679 50 0 KHAARN CCN(CC)S(=O)(=O)c1ccc(OCC(C)(C)O)c(N2CCN(C(=O)c3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000952878599 1066525523 /nfs/dbraw/zinc/52/55/23/1066525523.db2.gz BQSGGUMVIHBMRE-UHFFFAOYSA-N 0 0 575.625 3.987 50 0 KHAARN COc1ccc2nc(C(F)(F)F)nc(N3CCNC(=O)CCN(C(=O)C(F)=C4CCCC4)CC3)c2c1 ZINC000952881210 1066525399 /nfs/dbraw/zinc/52/53/99/1066525399.db2.gz QKOROHFLNFECQJ-UHFFFAOYSA-N 0 0 509.504 3.610 50 0 KHAARN O=C(C(F)=C1CCCC1)N1CCC(=O)NCCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 ZINC000952882196 1066525679 /nfs/dbraw/zinc/52/56/79/1066525679.db2.gz URGXNVDNXJQOMV-UHFFFAOYSA-N 0 0 506.504 3.510 50 0 KHAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)nc1C ZINC000952961788 1066530664 /nfs/dbraw/zinc/53/06/64/1066530664.db2.gz DYTDKYVFORVBJD-UHFFFAOYSA-N 0 0 506.540 3.667 50 0 KHAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)c1 ZINC000952961837 1066530685 /nfs/dbraw/zinc/53/06/85/1066530685.db2.gz MOKPBDXVAPIPHP-UHFFFAOYSA-N 0 0 540.985 4.000 50 0 KHAARN CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000952961953 1066530715 /nfs/dbraw/zinc/53/07/15/1066530715.db2.gz VDFIADCDJCYFLC-UHFFFAOYSA-N 0 0 549.561 3.997 50 0 KHAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC3(CCC(=O)N3)CC2)NC1=O ZINC000952969457 1066530705 /nfs/dbraw/zinc/53/07/05/1066530705.db2.gz AMYQBTPQZXAVQK-DSPMFFIESA-N 0 0 679.818 3.663 50 0 KHAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cc3cc(C)no3)C[C@@H]1NC(=O)CC2 ZINC000952970463 1066530736 /nfs/dbraw/zinc/53/07/36/1066530736.db2.gz CVWYFVKIBFPILU-BJKOFHAPSA-N 0 0 505.571 3.575 50 0 KHAARN CC(C)c1nc(N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)no1 ZINC000952973127 1066530809 /nfs/dbraw/zinc/53/08/09/1066530809.db2.gz RFPVMAFLBPAADX-DQEYMECFSA-N 0 0 503.603 3.854 50 0 KHAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)n[nH]c3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952973843 1066530723 /nfs/dbraw/zinc/53/07/23/1066530723.db2.gz KCKYSNQIDIEOSK-URLMMPGGSA-N 0 0 605.736 3.525 50 0 KHAARN Cc1nc(CCNC(=O)[C@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@@H](CC(C)C)C(=O)N2)nc2c1CCC2 ZINC000952974931 1066530576 /nfs/dbraw/zinc/53/05/76/1066530576.db2.gz VSVIDWORMICDRI-WUFINQPMSA-N 0 0 555.679 3.610 50 0 KHAARN CNc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4OC)CN(CCCOC)CC(=O)N[C@H]3C2)ccn1 ZINC000952974965 1066530790 /nfs/dbraw/zinc/53/07/90/1066530790.db2.gz WASVNORQCBKMTE-WUFINQPMSA-N 0 0 603.720 3.692 50 0 KHAARN