smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000000800905 132232972 /nfs/dbraw/zinc/23/29/72/132232972.db2.gz DYUIOJAZSZBIJZ-UHFFFAOYSA-N 0 0 421.494 1.804 50 0 HDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1c(F)cccc1F ZINC000009570208 132234681 /nfs/dbraw/zinc/23/46/81/132234681.db2.gz SHUDBVKSCVXQCP-UHFFFAOYSA-N 0 0 409.458 1.847 50 0 HDAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCOCC3)cc1)C2=O ZINC000002645737 132256269 /nfs/dbraw/zinc/25/62/69/132256269.db2.gz YEDYVDQYUQQGMQ-UHFFFAOYSA-N 0 0 400.479 1.962 50 0 HDAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000003248653 132263693 /nfs/dbraw/zinc/26/36/93/132263693.db2.gz ZTKLCWCRMNABJF-HSZRJFAPSA-N 0 0 420.469 1.855 50 0 HDAARN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC(=O)Nc2ccccc21 ZINC000003340958 132264796 /nfs/dbraw/zinc/26/47/96/132264796.db2.gz AKPQJZPXLFJCKX-INIZCTEOSA-N 0 0 407.426 1.564 50 0 HDAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(C)n1 ZINC000003352791 132265172 /nfs/dbraw/zinc/26/51/72/132265172.db2.gz QBFMVTAXKJDZOT-UHFFFAOYSA-N 0 0 402.451 1.667 50 0 HDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1N1CCOCC1)C2=O ZINC000003410670 132265698 /nfs/dbraw/zinc/26/56/98/132265698.db2.gz BDCISJMGRURKTI-QVKFZJNVSA-N 0 0 400.479 1.962 50 0 HDAARN Cc1nnc2sc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2c1=O ZINC000004271603 132274248 /nfs/dbraw/zinc/27/42/48/132274248.db2.gz WHQXKQRSJVYDBF-UHFFFAOYSA-N 0 0 402.505 1.295 50 0 HDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC2)C(=O)CS3)CC1 ZINC000004674995 132282078 /nfs/dbraw/zinc/28/20/78/132282078.db2.gz SCVLMNILCDHOBU-UHFFFAOYSA-N 0 0 423.560 1.825 50 0 HDAARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000004721802 132285737 /nfs/dbraw/zinc/28/57/37/132285737.db2.gz IGOZORUERAVXCI-UHFFFAOYSA-N 0 0 422.533 1.644 50 0 HDAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]2C)cc1 ZINC000004787613 132288446 /nfs/dbraw/zinc/28/84/46/132288446.db2.gz DFZJUCDEFBWFJS-AWEZNQCLSA-N 0 0 414.487 1.424 50 0 HDAARN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004902407 132292674 /nfs/dbraw/zinc/29/26/74/132292674.db2.gz WYJWZYUSTZFUSI-UHFFFAOYSA-N 0 0 414.531 1.831 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccnc1)C(=O)CO2 ZINC000004924864 132294584 /nfs/dbraw/zinc/29/45/84/132294584.db2.gz YRYMSVDHNOCSPQ-UHFFFAOYSA-N 0 0 418.475 1.476 50 0 HDAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC2CC2)C(=O)CO3)CC1 ZINC000005035808 132299231 /nfs/dbraw/zinc/29/92/31/132299231.db2.gz DIDQZOBSNDMRNZ-UHFFFAOYSA-N 0 0 407.492 1.111 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000006285373 132310181 /nfs/dbraw/zinc/31/01/81/132310181.db2.gz SUFONRXEPJHFPW-UHFFFAOYSA-N 0 0 409.899 1.343 50 0 HDAARN CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ncccn2)CC1 ZINC000007786082 132325869 /nfs/dbraw/zinc/32/58/69/132325869.db2.gz YYEYWEXLFUOWDG-KRWDZBQOSA-N 0 0 403.433 1.858 50 0 HDAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC2)CC1 ZINC000007842504 132325932 /nfs/dbraw/zinc/32/59/32/132325932.db2.gz FTGUVMRVNIWVNK-UHFFFAOYSA-N 0 0 422.551 1.198 50 0 HDAARN O=C(c1cnc2ccccc2n1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000008324928 132329507 /nfs/dbraw/zinc/32/95/07/132329507.db2.gz AENQFXZKQVKNSE-FQEVSTJZSA-N 0 0 404.426 1.896 50 0 HDAARN Cn1c2nc3n(c2c(=O)n(Cc2ccccc2)c1=O)C[C@H](O)CN3c1ccccc1 ZINC000008642845 132331701 /nfs/dbraw/zinc/33/17/01/132331701.db2.gz HBIKTUMXRVNMLW-QGZVFWFLSA-N 0 0 403.442 1.458 50 0 HDAARN O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)N1CC(=O)Nc2ccccc21 ZINC000008727674 132332714 /nfs/dbraw/zinc/33/27/14/132332714.db2.gz IWDOUOPEXMDYAH-NRFANRHFSA-N 0 0 406.398 1.202 50 0 HDAARN O=C1NC(=O)C2(Cc3c(Cl)cccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1 ZINC000009015899 132335049 /nfs/dbraw/zinc/33/50/49/132335049.db2.gz IFNLVKFYRMRYGO-KRWDZBQOSA-N 0 0 410.861 1.944 50 0 HDAARN COc1cccc(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)c1 ZINC000009561471 132341150 /nfs/dbraw/zinc/34/11/50/132341150.db2.gz MATXPHQXNGSING-UHFFFAOYSA-N 0 0 424.457 1.335 50 0 HDAARN CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)CC1 ZINC000010009562 132344780 /nfs/dbraw/zinc/34/47/80/132344780.db2.gz YLROKBYFENXDBT-UHFFFAOYSA-N 0 0 405.458 1.704 50 0 HDAARN O=C(CCN1C(=O)COc2ccccc21)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000011014689 132347223 /nfs/dbraw/zinc/34/72/23/132347223.db2.gz GWOFLPWZHNPNCN-UHFFFAOYSA-N 0 0 414.462 1.173 50 0 HDAARN COc1ccc2c(c1)CCCN2C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000011497971 132348237 /nfs/dbraw/zinc/34/82/37/132348237.db2.gz YPTQANWELOGNHA-UHFFFAOYSA-N 0 0 407.426 1.965 50 0 HDAARN Cn1c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2n(C)c1=O ZINC000011615515 132348759 /nfs/dbraw/zinc/34/87/59/132348759.db2.gz QEVGUVMFHCMOAF-UHFFFAOYSA-N 0 0 404.467 1.527 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 ZINC000011697755 132350011 /nfs/dbraw/zinc/35/00/11/132350011.db2.gz MIOSJNCWEITFBP-UHFFFAOYSA-N 0 0 415.479 1.731 50 0 HDAARN CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000011906556 132351959 /nfs/dbraw/zinc/35/19/59/132351959.db2.gz HDRGOMBDPMCECG-UHFFFAOYSA-N 0 0 424.500 1.971 50 0 HDAARN COc1cccc(N2C(=O)CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@@H]2C)c1 ZINC000012135598 132354845 /nfs/dbraw/zinc/35/48/45/132354845.db2.gz LHKYZOMYYMXTAO-HNNXBMFYSA-N 0 0 406.442 1.669 50 0 HDAARN COC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(Cl)cc2)n(C)c1=O ZINC000012374076 132359255 /nfs/dbraw/zinc/35/92/55/132359255.db2.gz NZLZHMGEYLQMLR-UHFFFAOYSA-N 0 0 403.826 1.265 50 0 HDAARN Cc1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000012444790 132360550 /nfs/dbraw/zinc/36/05/50/132360550.db2.gz HBMMBDOCNLMGMR-UHFFFAOYSA-N 0 0 418.519 1.037 50 0 HDAARN O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000012444824 132360626 /nfs/dbraw/zinc/36/06/26/132360626.db2.gz GJFLANURSGLQTP-UHFFFAOYSA-N 0 0 416.547 1.673 50 0 HDAARN C[C@@H](NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000012971513 132450536 /nfs/dbraw/zinc/45/05/36/132450536.db2.gz RMJMIXDERDQLHM-KGLIPLIRSA-N 0 0 417.487 1.715 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000013848541 132459608 /nfs/dbraw/zinc/45/96/08/132459608.db2.gz ZGEWVORZFJQIRZ-UHFFFAOYSA-N 0 0 402.455 1.652 50 0 HDAARN COc1cn(CC(=O)NC(C)C)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000017113464 132465275 /nfs/dbraw/zinc/46/52/75/132465275.db2.gz VXRZJHGMAGFUEM-UHFFFAOYSA-N 0 0 416.497 1.843 50 0 HDAARN C[C@H](OC(=O)CCN1C(=O)COc2ccccc21)C(=O)N1CC(=O)Nc2ccccc21 ZINC000018597509 132466206 /nfs/dbraw/zinc/46/62/06/132466206.db2.gz YAJHTLNNZRDEND-AWEZNQCLSA-N 0 0 423.425 1.719 50 0 HDAARN Cc1c(N2CCN(C(=O)c3ccncc3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000021885906 132473959 /nfs/dbraw/zinc/47/39/59/132473959.db2.gz WZFXWRKIFBHLAP-UHFFFAOYSA-N 0 0 405.458 1.202 50 0 HDAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccccn1 ZINC000035375517 132801262 /nfs/dbraw/zinc/80/12/62/132801262.db2.gz HIJNQMCQJYAIHA-UHFFFAOYSA-N 0 0 404.474 1.281 50 0 HDAARN CCNC(=O)CN1c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC[C@@H]2C1=O ZINC000035508608 132802301 /nfs/dbraw/zinc/80/23/01/132802301.db2.gz IGTVFLIRMYATMJ-QGZVFWFLSA-N 0 0 422.551 1.559 50 0 HDAARN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 ZINC000032538153 518730308 /nfs/dbraw/zinc/73/03/08/518730308.db2.gz WUSGHUCKSVSSFT-UHFFFAOYSA-N 0 0 419.545 1.007 50 0 HDAARN CC(=O)CC(C)(C)NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000040161606 519385753 /nfs/dbraw/zinc/38/57/53/519385753.db2.gz OSQVYONXBANKGJ-UHFFFAOYSA-N 0 0 413.515 1.396 50 0 HDAARN CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000032796819 519523916 /nfs/dbraw/zinc/52/39/16/519523916.db2.gz SQTCGKJKKYTBNW-CZUORRHYSA-N 0 0 407.492 1.255 50 0 HDAARN CC(=O)N1C[C@H](C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)Oc2ccccc21 ZINC000032745413 519635969 /nfs/dbraw/zinc/63/59/69/519635969.db2.gz TUWSKKOFLPFQOL-GOSISDBHSA-N 0 0 420.443 1.070 50 0 HDAARN CC(=O)NCCNC(=O)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032951260 519667520 /nfs/dbraw/zinc/66/75/20/519667520.db2.gz NKXFFSKHKXYDRF-UHFFFAOYSA-N 0 0 422.470 1.914 50 0 HDAARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)=O)cc1 ZINC000253498566 519701341 /nfs/dbraw/zinc/70/13/41/519701341.db2.gz NLFBZPXTFIBIDP-WCAYHLDQSA-N 0 0 417.414 1.566 50 0 HDAARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 ZINC000011591597 519722166 /nfs/dbraw/zinc/72/21/66/519722166.db2.gz PWYLQKLNPQSQNM-OAQYLSRUSA-N 0 0 408.414 1.813 50 0 HDAARN CC(C)n1ncc2cc(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)cnc21 ZINC000032866030 520081568 /nfs/dbraw/zinc/08/15/68/520081568.db2.gz DIKQTBLEXNXFPT-UHFFFAOYSA-N 0 0 404.448 1.895 50 0 HDAARN CCCCN(C(=O)Cn1nnc(-c2cc3ccccc3o2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000058405040 520346629 /nfs/dbraw/zinc/34/66/29/520346629.db2.gz RHLJTGICZOPNST-OAHLLOKOSA-N 0 0 417.491 1.902 50 0 HDAARN CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)N1CCN(c2ncccn2)CC1 ZINC000030223396 520359738 /nfs/dbraw/zinc/35/97/38/520359738.db2.gz PIUAKVVHIUCSNJ-UHFFFAOYSA-N 0 0 412.494 1.094 50 0 HDAARN CCN(CC)C(=O)CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000032716019 520470514 /nfs/dbraw/zinc/47/05/14/520470514.db2.gz RNFVFQWVZQMPOD-AWEZNQCLSA-N 0 0 401.554 1.476 50 0 HDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OCC(N)=O ZINC000020322177 520494410 /nfs/dbraw/zinc/49/44/10/520494410.db2.gz CVARKMFNSQDMPN-UHFFFAOYSA-N 0 0 402.447 1.912 50 0 HDAARN CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559025 520515138 /nfs/dbraw/zinc/51/51/38/520515138.db2.gz UUFFENFZUHJONS-INIZCTEOSA-N 0 0 422.507 1.693 50 0 HDAARN CCN(CC)c1nc2ncn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2s1 ZINC000045970350 520930658 /nfs/dbraw/zinc/93/06/58/520930658.db2.gz KEGHQEQQNBVZGP-UHFFFAOYSA-N 0 0 415.475 1.744 50 0 HDAARN CCOC(=O)N1CCN(C(=O)c2c(C)oc3ncnc(N4CCOCC4)c32)CC1 ZINC000020105483 520949783 /nfs/dbraw/zinc/94/97/83/520949783.db2.gz KHJOZGAOUJNKFI-UHFFFAOYSA-N 0 0 403.439 1.282 50 0 HDAARN CCOC(=O)N1CCN(Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CC1 ZINC000020539565 520954518 /nfs/dbraw/zinc/95/45/18/520954518.db2.gz BVVLFYQNWSXEII-IBGZPJMESA-N 0 0 407.511 1.033 50 0 HDAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CC)CC3)C2)cc1C ZINC000019913555 521193543 /nfs/dbraw/zinc/19/35/43/521193543.db2.gz MRWKURYKDWVUQY-GOSISDBHSA-N 0 0 423.579 1.959 50 0 HDAARN CCCCn1c2nc(-c3ccc4c(c3)OCCO4)n(CCOC)c2c(=O)[nH]c1=O ZINC000032668284 521375029 /nfs/dbraw/zinc/37/50/29/521375029.db2.gz XALBAIZZVHCYOP-UHFFFAOYSA-N 0 0 400.435 1.771 50 0 HDAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)c1cnccn1 ZINC000032766716 521385396 /nfs/dbraw/zinc/38/53/96/521385396.db2.gz YNLYCWCVODRJBQ-UHFFFAOYSA-N 0 0 420.447 1.521 50 0 HDAARN CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000008851171 521864991 /nfs/dbraw/zinc/86/49/91/521864991.db2.gz CZGJENKTSUYMED-UHFFFAOYSA-N 0 0 404.492 1.405 50 0 HDAARN COC(=O)c1cc(OC)c(OC)cc1NCCOc1ccc(S(N)(=O)=O)cc1 ZINC000032851007 521899402 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HDAARN Cc1ccc(NC(=O)C(=O)NCCOC(=O)CCn2c3ccccc3oc2=O)cc1 ZINC000016292992 558784178 /nfs/dbraw/zinc/78/41/78/558784178.db2.gz SBEKRPGVTSPINP-UHFFFAOYSA-N 0 0 411.414 1.591 50 0 HDAARN CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)c1nnc2n1CCC2 ZINC000072311466 558784830 /nfs/dbraw/zinc/78/48/30/558784830.db2.gz UVULWZYBNJMPSD-CQSZACIVSA-N 0 0 410.272 1.823 50 0 HDAARN COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl ZINC000016382825 558788820 /nfs/dbraw/zinc/78/88/20/558788820.db2.gz JTSGHDKPYVBNLY-UHFFFAOYSA-N 0 0 412.277 1.847 50 0 biogenic HDAARN COC(=O)c1c2c(sc1NC(=O)CN1CCN(c3ncccn3)CC1)CCCC2 ZINC000035800819 558795088 /nfs/dbraw/zinc/79/50/88/558795088.db2.gz BTFOJPXGQFVMHN-UHFFFAOYSA-N 0 0 415.519 1.964 50 0 HDAARN CCN1C2=C(C(=O)N(CCC(=O)NCCOC)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035967459 558796014 /nfs/dbraw/zinc/79/60/14/558796014.db2.gz YWHXHQWJVHWMAG-FQEVSTJZSA-N 0 0 414.506 1.639 50 0 HDAARN CSc1ccc(S(=O)(=O)NCc2ccccn2)cc1C(=O)N1CCOCC1 ZINC000016649925 558797949 /nfs/dbraw/zinc/79/79/49/558797949.db2.gz RCMALHATNADJGH-UHFFFAOYSA-N 0 0 407.517 1.754 50 0 HDAARN COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)NC(C)C ZINC000016652491 558798206 /nfs/dbraw/zinc/79/82/06/558798206.db2.gz LGXHEOPTVJFANO-UHFFFAOYSA-N 0 0 403.460 1.981 50 0 HDAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O ZINC000016671660 558798700 /nfs/dbraw/zinc/79/87/00/558798700.db2.gz UTPPCQNEIYIKKX-IBGZPJMESA-N 0 0 416.459 1.651 50 0 HDAARN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000032983149 558804191 /nfs/dbraw/zinc/80/41/91/558804191.db2.gz CVGNXUNBPZTLLA-UHFFFAOYSA-N 0 0 412.446 1.943 50 0 HDAARN COc1ccc(OCC(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000016759713 558806294 /nfs/dbraw/zinc/80/62/94/558806294.db2.gz KQCPJORBMCKTEF-UHFFFAOYSA-N 0 0 404.394 1.665 50 0 HDAARN CC1CCC(N2CC(=O)N(CCN3CCOCC3)[C@@H](c3cccnc3)C2=O)CC1 ZINC000065273821 558808624 /nfs/dbraw/zinc/80/86/24/558808624.db2.gz YPJFOMUFCXAXNY-XTXLOEGASA-N 0 0 400.523 1.704 50 0 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/nfs/dbraw/zinc/91/30/73/568913073.db2.gz MSMVKWXZUSVTJQ-LBPRGKRZSA-N 0 0 403.451 1.599 50 0 HDAARN Nn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1[C@@H]1COc2ccccc2O1 ZINC000003542079 568913727 /nfs/dbraw/zinc/91/37/27/568913727.db2.gz KPTZHJZHEYNYRP-INIZCTEOSA-N 0 0 423.454 1.893 50 0 HDAARN CNC(=O)CN(CC(=O)N[C@H](C)c1ccccc1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000012695227 568915984 /nfs/dbraw/zinc/91/59/84/568915984.db2.gz AFMBODOLOPNAKQ-HDICACEKSA-N 0 0 410.518 1.789 50 0 HDAARN O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)N1 ZINC000058504462 568922472 /nfs/dbraw/zinc/92/24/72/568922472.db2.gz NHDNHDSJDIMDEL-UHFFFAOYSA-N 0 0 422.688 1.465 50 0 HDAARN COC(=O)C1=C(CSc2nc(N)n[nH]2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012731682 568922815 /nfs/dbraw/zinc/92/28/15/568922815.db2.gz XANREODRHNENNZ-AWEZNQCLSA-N 0 0 400.464 1.835 50 0 HDAARN COC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)cc1 ZINC000218012485 568923398 /nfs/dbraw/zinc/92/33/98/568923398.db2.gz GGKYRXAUKDXLGI-JOCHJYFZSA-N 0 0 412.442 1.761 50 0 HDAARN COCCNS(=O)(=O)Cc1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1 ZINC000223236030 568927364 /nfs/dbraw/zinc/92/73/64/568927364.db2.gz SIBNVBQOJACNGD-UHFFFAOYSA-N 0 0 422.459 1.499 50 0 HDAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000003956822 568930178 /nfs/dbraw/zinc/93/01/78/568930178.db2.gz HPKPFIHCMIKXMU-UHZRXMQZSA-N 0 0 424.402 1.149 50 0 biogenic HDAARN O=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031772713 568930842 /nfs/dbraw/zinc/93/08/42/568930842.db2.gz UQRQWGMDNPHXKE-INIZCTEOSA-N 0 0 421.562 1.258 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000012749672 568937528 /nfs/dbraw/zinc/93/75/28/568937528.db2.gz FCPRWROFBUDZAY-UHFFFAOYSA-N 0 0 416.482 1.698 50 0 HDAARN CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000004073853 568938137 /nfs/dbraw/zinc/93/81/37/568938137.db2.gz FBFGCSDBPIXNCH-DLBZAZTESA-N 0 0 407.536 1.118 50 0 biogenic HDAARN Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCCc1cccc2cccnc21 ZINC000012759937 568943926 /nfs/dbraw/zinc/94/39/26/568943926.db2.gz ZBDSBDBCABJTOD-UHFFFAOYSA-N 0 0 402.476 1.867 50 0 HDAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-n2cncn2)cc1 ZINC000012759670 568944013 /nfs/dbraw/zinc/94/40/13/568944013.db2.gz GRCJZFTWSRNTMB-UHFFFAOYSA-N 0 0 420.473 1.815 50 0 HDAARN Cc1nc(SCC(=O)Nc2cccc(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138777 568945840 /nfs/dbraw/zinc/94/58/40/568945840.db2.gz YAFKFKGNDJTYAO-UHFFFAOYSA-N 0 0 405.867 1.720 50 0 HDAARN O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1cccc(I)c1 ZINC000084372772 568948179 /nfs/dbraw/zinc/94/81/79/568948179.db2.gz WRYSBYAJLJBGLJ-HNNXBMFYSA-N 0 0 415.275 1.636 50 0 HDAARN O=C(COc1ccc(O)cc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000084414804 568948932 /nfs/dbraw/zinc/94/89/32/568948932.db2.gz JYKQHHQNGIATHZ-UHFFFAOYSA-N 0 0 410.423 1.570 50 0 HDAARN O=C(Nc1cccc(C(=O)O[C@H]2CCS(=O)(=O)C2)c1)[C@@H]1Cc2ccccc2O1 ZINC000084581748 568951365 /nfs/dbraw/zinc/95/13/65/568951365.db2.gz NQKDTRKCTFHHOC-WMZOPIPTSA-N 0 0 401.440 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/nfs/dbraw/zinc/95/84/36/568958436.db2.gz PDJKVFSJMVWNEM-UHFFFAOYSA-N 0 0 421.523 1.594 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nnc3n2CCC3)c1 ZINC000012786236 568960180 /nfs/dbraw/zinc/96/01/80/568960180.db2.gz FYCYYRYUMOXENX-UHFFFAOYSA-N 0 0 411.915 1.838 50 0 HDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000007974336 568959659 /nfs/dbraw/zinc/95/96/59/568959659.db2.gz OYKZULNFJBYDON-UHFFFAOYSA-N 0 0 412.537 1.339 50 0 HDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H]3c3cccs3)cc2n(C)c(=O)c1=O ZINC000015671046 568961583 /nfs/dbraw/zinc/96/15/83/568961583.db2.gz SVZSHUGIJBQNTA-AWEZNQCLSA-N 0 0 405.501 1.825 50 0 HDAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000004317594 568962692 /nfs/dbraw/zinc/96/26/92/568962692.db2.gz HKAULVRIYRNALM-UHFFFAOYSA-N 0 0 404.448 1.944 50 0 HDAARN CC(=O)Nc1cccc(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000007988884 568966169 /nfs/dbraw/zinc/96/61/69/568966169.db2.gz IOIBCPRFHNOIOL-UHFFFAOYSA-N 0 0 407.430 1.402 50 0 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/nfs/dbraw/zinc/97/43/65/568974365.db2.gz JEFDERVSJDHZHI-UHFFFAOYSA-N 0 0 419.503 1.023 50 0 HDAARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C2=O ZINC000008133231 568976461 /nfs/dbraw/zinc/97/64/61/568976461.db2.gz MBBGKTDYDHISES-ASSNKEHSSA-N 0 0 411.462 1.382 50 0 HDAARN CCOc1ccc(-n2c(C)cn3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000004303926 568977233 /nfs/dbraw/zinc/97/72/33/568977233.db2.gz CISDKYRIZDFXJX-CYBMUJFWSA-N 0 0 409.446 1.996 50 0 HDAARN c1cc(CN2CCN(c3ccccn3)CC2)n(-c2nnc(N3CCOCC3)s2)c1 ZINC000015728200 568979222 /nfs/dbraw/zinc/97/92/22/568979222.db2.gz BIZKXVOTSONVKK-UHFFFAOYSA-N 0 0 411.535 1.883 50 0 HDAARN Nc1nc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)nc(Nc2ccccc2)n1 ZINC000008192991 568981812 /nfs/dbraw/zinc/98/18/12/568981812.db2.gz LZFBBOZWCICQBO-UHFFFAOYSA-N 0 0 403.402 1.688 50 0 HDAARN CC1=C(C(=O)N2CCCC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731378 568981921 /nfs/dbraw/zinc/98/19/21/568981921.db2.gz USBPBMHCQFZDDQ-UHFFFAOYSA-N 0 0 410.517 1.767 50 0 biogenic HDAARN CN(C)S(=O)(=O)c1cc(NC(=O)CSc2cccc[n+]2[O-])ccc1Cl ZINC000006048535 568983323 /nfs/dbraw/zinc/98/33/23/568983323.db2.gz IUSYJQLQRVMIPI-UHFFFAOYSA-N 0 0 401.897 1.955 50 0 HDAARN CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1=NS(=O)(=O)c2ccccc21 ZINC000008230109 568983707 /nfs/dbraw/zinc/98/37/07/568983707.db2.gz VONPSPBRKGBDDK-UHFFFAOYSA-N 0 0 412.471 1.598 50 0 HDAARN COc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1S(N)(=O)=O ZINC000008249880 568985295 /nfs/dbraw/zinc/98/52/95/568985295.db2.gz VQKGZVKBTZYFBO-IBGZPJMESA-N 0 0 419.503 1.665 50 0 HDAARN COc1cccc(CCNC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)c1 ZINC000012002990 568987550 /nfs/dbraw/zinc/98/75/50/568987550.db2.gz UUVGUPYKLATWEX-AWEZNQCLSA-N 0 0 402.472 1.980 50 0 HDAARN Cn1c2ccc(S(=O)(=O)CCC(=O)NC3CCCCCC3)cc2n(C)c(=O)c1=O ZINC000005151264 568987666 /nfs/dbraw/zinc/98/76/66/568987666.db2.gz GCOWHRQJFNAQIP-UHFFFAOYSA-N 0 0 421.519 1.240 50 0 HDAARN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C2CC2)cc1 ZINC000008312317 568988950 /nfs/dbraw/zinc/98/89/50/568988950.db2.gz JUQNIAYLUOJNGU-UHFFFAOYSA-N 0 0 406.446 1.639 50 0 HDAARN C[C@H](OC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006055350 568989017 /nfs/dbraw/zinc/98/90/17/568989017.db2.gz VGVZUFYRUAHJGC-MEDUHNTESA-N 0 0 406.416 1.044 50 0 HDAARN CCOc1cc2c(cc1NC(=O)c1cnc3c(c1)c(=O)n(C)c(=O)n3C)O[C@H](C)C2 ZINC000012818368 568990210 /nfs/dbraw/zinc/99/02/10/568990210.db2.gz JQBOMPYTDPJPDB-LLVKDONJSA-N 0 0 410.430 1.607 50 0 HDAARN NC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008316259 568990224 /nfs/dbraw/zinc/99/02/24/568990224.db2.gz YGPBCGQIOAJBKZ-UHFFFAOYSA-N 0 0 419.459 1.254 50 0 HDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000012379411 568990288 /nfs/dbraw/zinc/99/02/88/568990288.db2.gz BPXVGBLIKIBFPV-UHFFFAOYSA-N 0 0 401.488 1.816 50 0 HDAARN Nc1nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)nc(Nc2ccc(F)cc2)n1 ZINC000008316634 568990416 /nfs/dbraw/zinc/99/04/16/568990416.db2.gz 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C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(-n3cnnn3)cc1)C2=O ZINC000007781869 569310070 /nfs/dbraw/zinc/31/00/70/569310070.db2.gz MQGDDBNTGYALBF-RBZFPXEDSA-N 0 0 411.466 1.738 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C[C@H](C)O1 ZINC000195528658 569311998 /nfs/dbraw/zinc/31/19/98/569311998.db2.gz KGOBWVVLKOSBRT-RVKKMQEKSA-N 0 0 417.959 1.657 50 0 HDAARN CC(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(OCC3CCOCC3)nc2)CC1 ZINC000253399711 569365433 /nfs/dbraw/zinc/36/54/33/569365433.db2.gz JUZBLQYCDKLRGP-QGZVFWFLSA-N 0 0 418.538 1.558 50 0 HDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2cc(Cl)ccc21 ZINC000253414022 569366992 /nfs/dbraw/zinc/36/69/92/569366992.db2.gz WGHVCJYPZXICJV-INIZCTEOSA-N 0 0 411.849 1.947 50 0 biogenic HDAARN CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC1 ZINC000253424724 569368094 /nfs/dbraw/zinc/36/80/94/569368094.db2.gz KGJHIADKEXGTNG-UHFFFAOYSA-N 0 0 401.920 1.554 50 0 HDAARN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000253430146 569368776 /nfs/dbraw/zinc/36/87/76/569368776.db2.gz XDGGGIIBDOJYAH-UHFFFAOYSA-N 0 0 421.432 1.556 50 0 HDAARN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000253432820 569370006 /nfs/dbraw/zinc/37/00/06/569370006.db2.gz OOFKIKYAMIQVKB-PIKOESSRSA-N 0 0 415.600 1.681 50 0 HDAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000253623864 569383373 /nfs/dbraw/zinc/38/33/73/569383373.db2.gz RJVSWRQUJZCHKK-JTQLQIEISA-N 0 0 406.391 1.313 50 0 biogenic HDAARN Cc1ccnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000002363504 569387309 /nfs/dbraw/zinc/38/73/09/569387309.db2.gz QLNGIBOPHHSAFG-UHFFFAOYSA-N 0 0 415.523 1.694 50 0 HDAARN CC(C)(C)C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1 ZINC000002387195 569392226 /nfs/dbraw/zinc/39/22/26/569392226.db2.gz QBKUVWSVPYWYIN-INIZCTEOSA-N 0 0 414.340 1.050 50 0 HDAARN C[C@@H]1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)C[C@@H](C)O1 ZINC000002403616 569395795 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Cn1c2nc(NC3CCCCC3)n(CC(=O)NC3CCCCC3)c2c(=O)[nH]c1=O ZINC000013116344 569409459 /nfs/dbraw/zinc/40/94/59/569409459.db2.gz GUVWULCMIDSFNK-UHFFFAOYSA-N 0 0 402.499 1.617 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCCCc1ccccc1 ZINC000013371576 569412881 /nfs/dbraw/zinc/41/28/81/569412881.db2.gz BGJUDZKASSODRF-OALUTQOASA-N 0 0 411.520 1.987 50 0 HDAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCCOC(C)C)ccc1F ZINC000013371925 569412986 /nfs/dbraw/zinc/41/29/86/569412986.db2.gz OEZUGKUSKDNAQS-IRXDYDNUSA-N 0 0 407.529 1.478 50 0 HDAARN CCn1c(-c2cc(C)oc2C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000328589629 569414755 /nfs/dbraw/zinc/41/47/55/569414755.db2.gz GVGCUKBFVOPGAW-MRXNPFEDSA-N 0 0 423.539 1.806 50 0 HDAARN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000328590089 569414840 /nfs/dbraw/zinc/41/48/40/569414840.db2.gz WXKJSGOTGYMCEO-HDMKZQKVSA-N 0 0 409.914 1.059 50 0 HDAARN CCc1cccc(OC[C@H](O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 ZINC000328596124 569416051 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C[C@H](CCOC1=NS(=O)(=O)c2ccccc21)NC(=O)C(=O)Nc1ccccc1 ZINC000002296109 557335142 /nfs/dbraw/zinc/33/51/42/557335142.db2.gz BLEUSNXTYHOABH-CYBMUJFWSA-N 0 0 401.444 1.686 50 0 HDAARN CC(=O)Oc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1 ZINC000002381282 557342398 /nfs/dbraw/zinc/34/23/98/557342398.db2.gz YVFJQTJXLZGECB-PDGQHHTCSA-N 0 0 405.435 1.575 50 0 HDAARN CS(=O)(=O)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000002680332 557367112 /nfs/dbraw/zinc/36/71/12/557367112.db2.gz ZLVJFWPUXYYWKM-UHFFFAOYSA-N 0 0 415.452 1.935 50 0 HDAARN Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1 ZINC000002877309 557417825 /nfs/dbraw/zinc/41/78/25/557417825.db2.gz ABYVICZNIXZPGJ-UHFFFAOYSA-N 0 0 403.489 1.860 50 0 HDAARN CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000002884729 557421481 /nfs/dbraw/zinc/42/14/81/557421481.db2.gz KCIFVMHPPCEZCC-INIZCTEOSA-N 0 0 411.524 1.759 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 ZINC000002978398 557434273 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557692446 /nfs/dbraw/zinc/69/24/46/557692446.db2.gz SLZQURUFAZMRIP-OAHLLOKOSA-N 0 0 409.490 1.691 50 0 HDAARN COc1ccccc1C=CC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OC(C)C ZINC000006358373 557700033 /nfs/dbraw/zinc/70/00/33/557700033.db2.gz UCSDETDWVFOQPE-XVJNWHFHSA-N 0 0 419.503 1.252 50 0 HDAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1 ZINC000006645361 557711909 /nfs/dbraw/zinc/71/19/09/557711909.db2.gz RSOYOWQNKMJZLP-UHFFFAOYSA-N 0 0 419.488 1.859 50 0 HDAARN CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(CC)nc3C)C2)cn1 ZINC000002809293 557767425 /nfs/dbraw/zinc/76/74/25/557767425.db2.gz KRQKAZYAIHRIBQ-MRXNPFEDSA-N 0 0 408.528 1.145 50 0 HDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 ZINC000008595208 557796430 /nfs/dbraw/zinc/79/64/30/557796430.db2.gz DQSDWZSAOXTZJJ-UHFFFAOYSA-N 0 0 424.417 1.166 50 0 HDAARN COc1ccc(Cn2c(=O)c3nc[nH]c3n(-c3cc([S@](C)=O)ccc3C)c2=O)cc1 ZINC000008648869 557798387 /nfs/dbraw/zinc/79/83/87/557798387.db2.gz RVVADVUIDYHESK-SSEXGKCCSA-N 0 0 424.482 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COCCN1C(=O)C[C@](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)(c2ccccc2OC)C1=O ZINC000011909790 558296469 /nfs/dbraw/zinc/29/64/69/558296469.db2.gz MXJWJGAFCOOFAJ-ZMPRRUGASA-N 0 0 418.490 1.364 50 0 HDAARN CCN1c2ccc(S(=O)(=O)NCCCN3CCOCC3)c3cccc(c23)C1=O ZINC000019864009 558298791 /nfs/dbraw/zinc/29/87/91/558298791.db2.gz MOSVYFYSQBDGJR-UHFFFAOYSA-N 0 0 403.504 1.821 50 0 HDAARN Cc1cccc2nc(CNC(=O)CCCn3nnnc3CN3CCC(C)CC3)cn21 ZINC000011935693 558299633 /nfs/dbraw/zinc/29/96/33/558299633.db2.gz QDBKLXQENQZGLO-UHFFFAOYSA-N 0 0 410.526 1.958 50 0 HDAARN O=S(=O)(N1CCCCC1)N1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000019933007 558311043 /nfs/dbraw/zinc/31/10/43/558311043.db2.gz WSVMKCZDJUTROD-FQEVSTJZSA-N 0 0 423.579 1.263 50 0 HDAARN Cc1cc(C)nc(CNC(=O)c2cccc(OC3CCN(S(C)(=O)=O)CC3)c2)n1 ZINC000012054208 558315206 /nfs/dbraw/zinc/31/52/06/558315206.db2.gz DSYKLWXGRCWJMG-UHFFFAOYSA-N 0 0 418.519 1.826 50 0 HDAARN COC(=O)[C@@H](C)NC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 ZINC000012055246 558315628 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568466112 /nfs/dbraw/zinc/46/61/12/568466112.db2.gz GFCHNFUYJHRUOV-UHFFFAOYSA-N 0 0 416.912 1.713 50 0 HDAARN CCOC(=O)Cc1csc(NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000012322226 568470846 /nfs/dbraw/zinc/47/08/46/568470846.db2.gz QCEPRYUPFIYFDH-AWEZNQCLSA-N 0 0 405.432 1.143 50 0 HDAARN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000007735293 568483927 /nfs/dbraw/zinc/48/39/27/568483927.db2.gz LKPBWMQDLUAWHM-CYBMUJFWSA-N 0 0 419.459 1.561 50 0 HDAARN CCCn1c(N)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(=O)n(C)c1=O ZINC000007903170 568486349 /nfs/dbraw/zinc/48/63/49/568486349.db2.gz MFBFJRLVHUCRNM-UHFFFAOYSA-N 0 0 404.496 1.318 50 0 HDAARN Cc1cc(C)nc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000000808490 568487352 /nfs/dbraw/zinc/48/73/52/568487352.db2.gz PMZWYXKZCCRHAJ-UHFFFAOYSA-N 0 0 415.523 1.613 50 0 HDAARN COc1cc2c(cc1OC)CN(C(=O)CCN1Cc3ccccc3C1=O)[C@H](C(N)=O)C2 ZINC000604404200 568492322 /nfs/dbraw/zinc/49/23/22/568492322.db2.gz LCCZXZFOFKEKEO-SFHVURJKSA-N 0 0 423.469 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568513435 /nfs/dbraw/zinc/51/34/35/568513435.db2.gz QWMPRUWYDPZFFW-UHFFFAOYSA-N 0 0 409.855 1.656 50 0 HDAARN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(I)c1 ZINC000024689845 568513459 /nfs/dbraw/zinc/51/34/59/568513459.db2.gz MWPDNNUCQWBLIY-ZDUSSCGKSA-N 0 0 422.288 1.835 50 0 HDAARN C[C@@H](NC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn21 ZINC000223230056 568541694 /nfs/dbraw/zinc/54/16/94/568541694.db2.gz QKGLSKHMTLLIGA-GDBMZVCRSA-N 0 0 406.446 1.460 50 0 HDAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000223242880 568542396 /nfs/dbraw/zinc/54/23/96/568542396.db2.gz LIMYPWUQIVJJHK-GOSISDBHSA-N 0 0 412.475 1.636 50 0 HDAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C[C@@H](O)c2ccco2)nn1 ZINC000390828718 568591772 /nfs/dbraw/zinc/59/17/72/568591772.db2.gz TVEGVOGDYWLPEG-CQSZACIVSA-N 0 0 416.390 1.661 50 0 HDAARN Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)CC2=O)cc1C ZINC000390831869 568592458 /nfs/dbraw/zinc/59/24/58/568592458.db2.gz VOXRBHJNKUMJGO-IRXDYDNUSA-N 0 0 419.489 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CN(C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000095451528 568614684 /nfs/dbraw/zinc/61/46/84/568614684.db2.gz BOSHQZDBSFVICM-OAHLLOKOSA-N 0 0 422.445 1.234 50 0 HDAARN CN(CCc1cnccn1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000095457800 568618774 /nfs/dbraw/zinc/61/87/74/568618774.db2.gz XDZKXTVRRYEWPM-UHFFFAOYSA-N 0 0 413.503 1.339 50 0 HDAARN CCOC(=O)c1ccc(S(=O)(=O)NC2CCS(=O)CC2)c(Br)c1 ZINC000095458387 568618999 /nfs/dbraw/zinc/61/89/99/568618999.db2.gz WKIOYEMPXVQBIR-UHFFFAOYSA-N 0 0 424.338 1.815 50 0 HDAARN O=C1CSc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2N1 ZINC000020509148 568620699 /nfs/dbraw/zinc/62/06/99/568620699.db2.gz KGOHALKULKUFRL-OLZOCXBDSA-N 0 0 417.512 1.701 50 0 HDAARN CN(C)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)C(C)(C)C1 ZINC000095464417 568622408 /nfs/dbraw/zinc/62/24/08/568622408.db2.gz HFOYHHRIMDCGDO-CYBMUJFWSA-N 0 0 408.449 1.922 50 0 HDAARN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H]1CCC2(C1)OCCO2 ZINC000095464607 568622541 /nfs/dbraw/zinc/62/25/41/568622541.db2.gz TZAQTGYZIYSLMC-CYBMUJFWSA-N 0 0 413.496 1.753 50 0 HDAARN C[C@]1(c2cccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)c2)NC(=O)NC1=O ZINC000040111114 568623493 /nfs/dbraw/zinc/62/34/93/568623493.db2.gz GCWPCUOWYGKVOX-LJQANCHMSA-N 0 0 401.444 1.538 50 0 HDAARN O=C(c1cccc(Nc2ncccn2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000095473587 568628789 /nfs/dbraw/zinc/62/87/89/568628789.db2.gz SQZHQYRFLRWRGL-KRWDZBQOSA-N 0 0 401.492 1.165 50 0 HDAARN COc1ccccc1N1C[C@H](C(=O)NCCn2cnc3ccc(F)cc3c2=O)CC1=O ZINC000095475649 568630000 /nfs/dbraw/zinc/63/00/00/568630000.db2.gz LGYMPHQBIXWAPV-CQSZACIVSA-N 0 0 424.432 1.714 50 0 HDAARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)NCc1nnc2ccccn21 ZINC000095476922 568630624 /nfs/dbraw/zinc/63/06/24/568630624.db2.gz QBJJZHZQAFNLEG-UHFFFAOYSA-N 0 0 407.478 1.260 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3CCOCC3)C2=O)cc1OC ZINC000095477216 568630896 /nfs/dbraw/zinc/63/08/96/568630896.db2.gz GBXBCDYKBIVNNU-HNNXBMFYSA-N 0 0 405.451 1.010 50 0 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CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000020984835 568655064 /nfs/dbraw/zinc/65/50/64/568655064.db2.gz XMVAUCAAIGLWSX-UHFFFAOYSA-N 0 0 412.493 1.398 50 0 HDAARN Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026622 568658801 /nfs/dbraw/zinc/65/88/01/568658801.db2.gz RNZOOBAKDRGHKK-CQSZACIVSA-N 0 0 418.523 1.845 50 0 HDAARN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000095941550 568661953 /nfs/dbraw/zinc/66/19/53/568661953.db2.gz AEMYLYNGDAKHJS-SFHVURJKSA-N 0 0 418.471 1.689 50 0 HDAARN COCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccccc2Cl)c1=O ZINC000096203446 568666526 /nfs/dbraw/zinc/66/65/26/568666526.db2.gz YLGYKSVWWDZGSC-UHFFFAOYSA-N 0 0 401.850 1.877 50 0 HDAARN COc1ccc(CCS(=O)(=O)NC[C@H](c2cccn2C)N2CCOCC2)cc1 ZINC000021154616 568673290 /nfs/dbraw/zinc/67/32/90/568673290.db2.gz IBDYDBCGJGTFDX-HXUWFJFHSA-N 0 0 407.536 1.569 50 0 HDAARN COc1ccc(-c2nnc(SCC(=O)NCc3cccc(C(N)=O)c3)n2N)cc1 ZINC000095979903 568675242 /nfs/dbraw/zinc/67/52/42/568675242.db2.gz VWJQMNMJGSAUEZ-UHFFFAOYSA-N 0 0 412.475 1.175 50 0 HDAARN CC(C)c1noc2ncc(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)cc21 ZINC000095996820 568679131 /nfs/dbraw/zinc/67/91/31/568679131.db2.gz OHEJYSCJTSCESF-UHFFFAOYSA-N 0 0 406.508 1.681 50 0 HDAARN CC(=O)Nc1ccc(CC(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000095998243 568679368 /nfs/dbraw/zinc/67/93/68/568679368.db2.gz ASFAYXXBARWHEH-FQEVSTJZSA-N 0 0 400.523 1.731 50 0 HDAARN O=C(c1cn2ccccc2n1)N1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000095998259 568679444 /nfs/dbraw/zinc/67/94/44/568679444.db2.gz QDIICGCWPUGKRP-OAHLLOKOSA-N 0 0 409.412 1.645 50 0 HDAARN Cc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)[nH]1 ZINC000095999140 568680281 /nfs/dbraw/zinc/68/02/81/568680281.db2.gz FJVTXNYHWGRTOE-INIZCTEOSA-N 0 0 401.488 1.680 50 0 HDAARN COCc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)no1 ZINC000095999119 568680368 /nfs/dbraw/zinc/68/03/68/568680368.db2.gz CPUGVOQVIAUFEO-MRXNPFEDSA-N 0 0 405.476 1.818 50 0 HDAARN CC(C)Cc1nc(CN2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)no1 ZINC000095999630 568680472 /nfs/dbraw/zinc/68/04/72/568680472.db2.gz FJIDBQMXEMGZMR-KRWDZBQOSA-N 0 0 401.515 1.315 50 0 HDAARN CCOc1ccc(CN2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)nc1 ZINC000095999666 568680608 /nfs/dbraw/zinc/68/06/08/568680608.db2.gz RWZPKHCMYOUEHG-OAQYLSRUSA-N 0 0 402.539 1.768 50 0 HDAARN Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4cc(C)on4)CC3)C2=O)n(C)n1 ZINC000096002712 568681655 /nfs/dbraw/zinc/68/16/55/568681655.db2.gz FAQFWDTULYOQIE-HNNXBMFYSA-N 0 0 401.471 1.370 50 0 HDAARN CC(C)NC(=O)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000096005084 568682371 /nfs/dbraw/zinc/68/23/71/568682371.db2.gz NLCOJBPTPIVZRZ-HNNXBMFYSA-N 0 0 401.916 1.389 50 0 HDAARN CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1OCC ZINC000096013640 568685460 /nfs/dbraw/zinc/68/54/60/568685460.db2.gz KNAWUSVECVIRHF-UHFFFAOYSA-N 0 0 423.495 1.139 50 0 HDAARN O=C(NCCn1nc(-n2cncn2)ccc1=O)C1c2ccccc2Oc2ccccc21 ZINC000096025171 568686283 /nfs/dbraw/zinc/68/62/83/568686283.db2.gz DVTHZQJVTRZOCC-UHFFFAOYSA-N 0 0 414.425 1.878 50 0 HDAARN Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccccc3)C(F)(F)F)cc21 ZINC000096025793 568686543 /nfs/dbraw/zinc/68/65/43/568686543.db2.gz PIZWIIMIDXOCEQ-MRXNPFEDSA-N 0 0 416.377 1.860 50 0 HDAARN O=S(=O)(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 ZINC000096026052 568686696 /nfs/dbraw/zinc/68/66/96/568686696.db2.gz MPIJTIRBOVDFCL-OAHLLOKOSA-N 0 0 407.444 1.979 50 0 HDAARN Cn1nc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C1CC1 ZINC000096099342 568690176 /nfs/dbraw/zinc/69/01/76/568690176.db2.gz GMJINWSIXPUUKM-UHFFFAOYSA-N 0 0 404.492 1.248 50 0 HDAARN O=C(CSc1nc2ccccc2s1)NCCn1nc(-n2cncn2)ccc1=O ZINC000096103361 568691622 /nfs/dbraw/zinc/69/16/22/568691622.db2.gz JEKHAHDSJJXREL-UHFFFAOYSA-N 0 0 413.488 1.342 50 0 HDAARN COc1cccc2cc(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)oc21 ZINC000096104187 568692164 /nfs/dbraw/zinc/69/21/64/568692164.db2.gz ZYJDKHAOIAAZFI-UHFFFAOYSA-N 0 0 404.448 1.648 50 0 HDAARN Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2c1=O ZINC000096114049 568693732 /nfs/dbraw/zinc/69/37/32/568693732.db2.gz OPVVWDNAHFYOGT-ZOBUZTSGSA-N 0 0 401.492 1.598 50 0 biogenic HDAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000096114730 568694419 /nfs/dbraw/zinc/69/44/19/568694419.db2.gz JIDOOTXDBPSFSK-ZDUSSCGKSA-N 0 0 402.403 1.377 50 0 biogenic HDAARN CSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn21 ZINC000096118651 568698430 /nfs/dbraw/zinc/69/84/30/568698430.db2.gz GSPLRCDOOURWJV-AWEZNQCLSA-N 0 0 400.512 1.986 50 0 HDAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)CCc2ccc(Cl)c(F)c2)CC1 ZINC000096121842 568699939 /nfs/dbraw/zinc/69/99/39/568699939.db2.gz LBOSBDGVZYAGKZ-UHFFFAOYSA-N 0 0 404.891 1.564 50 0 HDAARN COC(=O)c1sccc1NC(=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124008 568700591 /nfs/dbraw/zinc/70/05/91/568700591.db2.gz ZMCGTYVWYXBECU-GFCCVEGCSA-N 0 0 413.463 1.761 50 0 HDAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124160 568700719 /nfs/dbraw/zinc/70/07/19/568700719.db2.gz NUMVYCDIZISHIF-UHFFFAOYSA-N 0 0 407.434 1.684 50 0 HDAARN Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)CC(=O)N2C)cc1 ZINC000096181271 568702463 /nfs/dbraw/zinc/70/24/63/568702463.db2.gz QUKJRAWSKKWYCI-PKOBYXMFSA-N 0 0 407.536 1.397 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3ccccc3)C2=O)cc1OC ZINC000096220889 568704966 /nfs/dbraw/zinc/70/49/66/568704966.db2.gz XMZDFIVRAMOUEC-KRWDZBQOSA-N 0 0 411.458 1.873 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCC1CCOCC1 ZINC000096221747 568705076 /nfs/dbraw/zinc/70/50/76/568705076.db2.gz JSYPSXGBTGHNCD-HNNXBMFYSA-N 0 0 403.435 1.159 50 0 biogenic HDAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCNC(=O)OC(C)(C)C)C=C2 ZINC000096221666 568705150 /nfs/dbraw/zinc/70/51/50/568705150.db2.gz YXRJTWUSUJUOHX-UHFFFAOYSA-N 0 0 419.478 1.700 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(c2ccccn2)CC1 ZINC000096223014 568706022 /nfs/dbraw/zinc/70/60/22/568706022.db2.gz AGRBXZYUNFSTNC-SFHVURJKSA-N 0 0 407.474 1.631 50 0 HDAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCc3ccco3)cc2C(=O)N1C ZINC000021530951 568710784 /nfs/dbraw/zinc/71/07/84/568710784.db2.gz GWCVPGWGNZUFME-FQEVSTJZSA-N 0 0 401.467 1.413 50 0 HDAARN Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)N1CCC(C(N)=O)CC1 ZINC000021532895 568711286 /nfs/dbraw/zinc/71/12/86/568711286.db2.gz ITXAQOYGSLNCNR-UHFFFAOYSA-N 0 0 412.494 1.129 50 0 HDAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000096274165 568714000 /nfs/dbraw/zinc/71/40/00/568714000.db2.gz FWOBETNGGNCYIK-OKILXGFUSA-N 0 0 418.446 1.709 50 0 HDAARN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC(=O)NCc1ccccc1 ZINC000018533922 568715970 /nfs/dbraw/zinc/71/59/70/568715970.db2.gz VOFAGMDVJBIXHO-ZDUSSCGKSA-N 0 0 422.532 1.839 50 0 HDAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCN(CC(=O)NC2CC2)CC1 ZINC000096304943 568723347 /nfs/dbraw/zinc/72/33/47/568723347.db2.gz SHJSYOMISMGJQT-UHFFFAOYSA-N 0 0 424.549 1.632 50 0 HDAARN O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)Nc1ccc2c(c1)OCO2 ZINC000021629116 568724628 /nfs/dbraw/zinc/72/46/28/568724628.db2.gz AUXINOXCDAXGAD-UHFFFAOYSA-N 0 0 403.460 1.807 50 0 HDAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3C)no1 ZINC000096320586 568728539 /nfs/dbraw/zinc/72/85/39/568728539.db2.gz DFAHXUAJOKCDSW-HNNXBMFYSA-N 0 0 409.402 1.997 50 0 HDAARN C[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@H]2C)Cc2cccnc2)[C@H](C)CO1 ZINC000241326140 568730968 /nfs/dbraw/zinc/73/09/68/568730968.db2.gz LZNMGBAEWSRIJA-MKXGPGLRSA-N 0 0 418.538 1.155 50 0 HDAARN Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000096323227 568731653 /nfs/dbraw/zinc/73/16/53/568731653.db2.gz JXCFIJDISWGZHK-UHFFFAOYSA-N 0 0 402.520 1.791 50 0 HDAARN COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 ZINC000096323254 568731660 /nfs/dbraw/zinc/73/16/60/568731660.db2.gz SUNZPPIZDSWVKW-UHFFFAOYSA-N 0 0 420.535 1.511 50 0 HDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1C ZINC000096323354 568731966 /nfs/dbraw/zinc/73/19/66/568731966.db2.gz WWINBTWXEMUCLN-UHFFFAOYSA-N 0 0 424.498 1.571 50 0 HDAARN CCCN(CC(=O)OC)C(=O)CCNS(=O)(=O)c1ccccc1Br ZINC000242389615 568732777 /nfs/dbraw/zinc/73/27/77/568732777.db2.gz ZYUCSYOGMNOFFW-UHFFFAOYSA-N 0 0 421.313 1.529 50 0 HDAARN CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324111 568733074 /nfs/dbraw/zinc/73/30/74/568733074.db2.gz LLVLUZYKXPBTKI-UHFFFAOYSA-N 0 0 413.521 1.000 50 0 HDAARN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2)OC ZINC000096385281 568741856 /nfs/dbraw/zinc/74/18/56/568741856.db2.gz IGQSYXBOAPXBHI-LJQANCHMSA-N 0 0 423.469 1.973 50 0 HDAARN CCn1cnnc1SCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1 ZINC000018967003 568744255 /nfs/dbraw/zinc/74/42/55/568744255.db2.gz LOHXZXQMIQAYQQ-UHFFFAOYSA-N 0 0 423.476 1.390 50 0 HDAARN CCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3F)CC2)c1=O ZINC000096396660 568745293 /nfs/dbraw/zinc/74/52/93/568745293.db2.gz HTGSWORQXYMZAV-UHFFFAOYSA-N 0 0 403.439 1.680 50 0 HDAARN Cc1nc(CNC(=O)[C@H]2CSCN2S(=O)(=O)c2cccc(F)c2)cs1 ZINC000021708192 568748157 /nfs/dbraw/zinc/74/81/57/568748157.db2.gz FQAHPRJCLOOBOU-CQSZACIVSA-N 0 0 401.510 1.971 50 0 HDAARN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000000899832 568748950 /nfs/dbraw/zinc/74/89/50/568748950.db2.gz DHRBERVBDVDAPY-UHFFFAOYSA-N 0 0 404.488 1.992 50 0 HDAARN CC1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)CC1 ZINC000021876331 568756690 /nfs/dbraw/zinc/75/66/90/568756690.db2.gz WLTKERKGOHNATO-QHCPKHFHSA-N 0 0 423.517 1.916 50 0 HDAARN CCc1cccc(C)c1NC(=O)CCNS(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC000021882221 568757654 /nfs/dbraw/zinc/75/76/54/568757654.db2.gz ZIPXJMLMOYZFBF-UHFFFAOYSA-N 0 0 407.492 1.990 50 0 HDAARN O=C(OCc1nnnn1-c1ccccc1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000025316049 568763608 /nfs/dbraw/zinc/76/36/08/568763608.db2.gz MEFKRLAUUKVCCM-UHFFFAOYSA-N 0 0 418.413 1.655 50 0 HDAARN Cc1csc(-n2c(C)cc(C(=O)CN3CCN(CC(=O)NC4CC4)CC3)c2C)n1 ZINC000096908311 568765108 /nfs/dbraw/zinc/76/51/08/568765108.db2.gz SCRMJFNRLCAONP-UHFFFAOYSA-N 0 0 415.563 1.938 50 0 HDAARN CCOC(=O)CNC(=O)[C@H]1COCCN1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000097049045 568767113 /nfs/dbraw/zinc/76/71/13/568767113.db2.gz FUSFJUIZSFMAMH-GOSISDBHSA-N 0 0 414.458 1.162 50 0 HDAARN C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000025436750 568768922 /nfs/dbraw/zinc/76/89/22/568768922.db2.gz WXUZWUFTXBKFCY-CQSZACIVSA-N 0 0 410.517 1.853 50 0 HDAARN COc1ccc([C@H]2OCC[C@@H]2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 ZINC000225546520 568773116 /nfs/dbraw/zinc/77/31/16/568773116.db2.gz PRRPHWYQOZSIII-DOTOQJQBSA-N 0 0 403.464 1.489 50 0 HDAARN COc1cccc(-c2cc(C(=O)N3CCC(c4cc(C(N)=O)[nH]n4)CC3)n(C)n2)c1 ZINC000225559967 568773562 /nfs/dbraw/zinc/77/35/62/568773562.db2.gz MKPCJNYDRLGRRW-UHFFFAOYSA-N 0 0 408.462 1.938 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NC2CCCCC2)cc1 ZINC000055408408 568774371 /nfs/dbraw/zinc/77/43/71/568774371.db2.gz MKNFHSOVEFYMGF-ROUUACIJSA-N 0 0 414.549 1.507 50 0 HDAARN COc1ccc(N2C(=O)CN(Cc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000055408581 568774477 /nfs/dbraw/zinc/77/44/77/568774477.db2.gz HYVYMXBMKMEEJB-RBUKOAKNSA-N 0 0 416.499 1.718 50 0 HDAARN COCCNc1nc2c(c(=O)n(Cc3cccc(Br)c3)c(=O)n2C)n1C ZINC000002488384 568775465 /nfs/dbraw/zinc/77/54/65/568775465.db2.gz NOBMOQFEUIFTAO-UHFFFAOYSA-N 0 0 422.283 1.303 50 0 biogenic HDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000225606355 568776160 /nfs/dbraw/zinc/77/61/60/568776160.db2.gz ZMRRTMATTANILG-UHFFFAOYSA-N 0 0 409.446 1.112 50 0 HDAARN C[C@@](O)(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCO2 ZINC000225618355 568776830 /nfs/dbraw/zinc/77/68/30/568776830.db2.gz KNURRRSTHKVZHV-HXUWFJFHSA-N 0 0 405.472 1.775 50 0 HDAARN O=C(c1cccc(OC(F)(F)F)c1)N1CC(n2cc(CN3CCCC3=O)nn2)C1 ZINC000225632258 568777780 /nfs/dbraw/zinc/77/77/80/568777780.db2.gz HZNCXFOLUMRFHZ-UHFFFAOYSA-N 0 0 409.368 1.996 50 0 HDAARN O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000225639004 568777870 /nfs/dbraw/zinc/77/78/70/568777870.db2.gz GGYFPEBBTZLNQL-ZDUSSCGKSA-N 0 0 418.456 1.690 50 0 HDAARN CSCC[C@@H](NC(C)=O)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225729109 568779908 /nfs/dbraw/zinc/77/99/08/568779908.db2.gz CYKYNVQYQKEKMI-GFCCVEGCSA-N 0 0 405.446 1.402 50 0 HDAARN CCN1CCN(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)C(=O)C1=O ZINC000225735727 568780131 /nfs/dbraw/zinc/78/01/31/568780131.db2.gz BJQVMYKDPBZQLS-GFCCVEGCSA-N 0 0 400.357 1.364 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000225743585 568780578 /nfs/dbraw/zinc/78/05/78/568780578.db2.gz FMIMGQUPNADQEO-UHFFFAOYSA-N 0 0 416.507 1.724 50 0 HDAARN O=C(c1cccc(-n2cnnn2)c1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000225758361 568780928 /nfs/dbraw/zinc/78/09/28/568780928.db2.gz FTAVDQNAFMBACW-UHFFFAOYSA-N 0 0 417.429 1.143 50 0 HDAARN COC(=O)c1sccc1S(=O)(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 ZINC000225785097 568781759 /nfs/dbraw/zinc/78/17/59/568781759.db2.gz NXKFDOFFXZHARP-UHFFFAOYSA-N 0 0 423.447 1.429 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000002651346 568796550 /nfs/dbraw/zinc/79/65/50/568796550.db2.gz WOWQJXJXAROMSA-UHFFFAOYSA-N 0 0 420.462 1.824 50 0 HDAARN Cn1c(N)c(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c(=O)n(C)c1=O ZINC000002652360 568796730 /nfs/dbraw/zinc/79/67/30/568796730.db2.gz AUCQXDBCQBHYMJ-UHFFFAOYSA-N 0 0 408.414 1.450 50 0 HDAARN O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000029017855 568815136 /nfs/dbraw/zinc/81/51/36/568815136.db2.gz OZHAOYAJXODABU-UHFFFAOYSA-N 0 0 414.487 1.577 50 0 HDAARN CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1 ZINC000002917450 568816396 /nfs/dbraw/zinc/81/63/96/568816396.db2.gz MHCBUSUDRQEHLD-UHFFFAOYSA-N 0 0 412.512 1.160 50 0 HDAARN CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000257373273 568818360 /nfs/dbraw/zinc/81/83/60/568818360.db2.gz UCNNZELZXFXXJQ-OKZBNKHCSA-N 0 0 407.511 1.408 50 0 HDAARN Cc1ccnc(OCC(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)n1 ZINC000056907054 568821035 /nfs/dbraw/zinc/82/10/35/568821035.db2.gz YHXGEZYFAAMXIJ-UHFFFAOYSA-N 0 0 406.450 1.441 50 0 HDAARN COC(=O)COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1C ZINC000226687455 568821370 /nfs/dbraw/zinc/82/13/70/568821370.db2.gz YDAORVUQVFRQNU-HNNXBMFYSA-N 0 0 412.508 1.472 50 0 HDAARN CCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952318 568822209 /nfs/dbraw/zinc/82/22/09/568822209.db2.gz IBIFMROLDKWOSE-UHFFFAOYSA-N 0 0 402.886 1.419 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056997550 568822745 /nfs/dbraw/zinc/82/27/45/568822745.db2.gz WLKNEHDWPZFZMF-UHFFFAOYSA-N 0 0 420.510 1.885 50 0 HDAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)NCc2ccc(C)cc2)CC1 ZINC000056997868 568822936 /nfs/dbraw/zinc/82/29/36/568822936.db2.gz ARBDSAWRGRFEGD-UHFFFAOYSA-N 0 0 410.518 1.558 50 0 HDAARN COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2)CC1 ZINC000056997891 568822945 /nfs/dbraw/zinc/82/29/45/568822945.db2.gz CFULMRZMWFGDMD-UHFFFAOYSA-N 0 0 400.454 1.711 50 0 HDAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2ccc(OC)cc2)c1 ZINC000057279541 568825646 /nfs/dbraw/zinc/82/56/46/568825646.db2.gz JBTRUIFVKDFZEH-UHFFFAOYSA-N 0 0 403.464 1.856 50 0 HDAARN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)NCc2cccc(OC)c2)c1 ZINC000057279464 568825661 /nfs/dbraw/zinc/82/56/61/568825661.db2.gz IFNMADQCFFSHLI-UHFFFAOYSA-N 0 0 403.464 1.856 50 0 HDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000005875755 568827562 /nfs/dbraw/zinc/82/75/62/568827562.db2.gz TYHQJTPNXZACKP-CQOVVYFZSA-N 0 0 405.476 1.969 50 0 HDAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1 ZINC000002952052 568829320 /nfs/dbraw/zinc/82/93/20/568829320.db2.gz BKZPDROTRGNAJG-UHFFFAOYSA-N 0 0 422.489 1.389 50 0 HDAARN Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005937187 568830327 /nfs/dbraw/zinc/83/03/27/568830327.db2.gz YDQDZRKSHJFFPZ-UHFFFAOYSA-N 0 0 403.489 1.642 50 0 HDAARN COc1ccc(CN2CC(=O)N(c3ccc(OC)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000230070986 568831347 /nfs/dbraw/zinc/83/13/47/568831347.db2.gz PAHHTRQJZVSCTN-WOJBJXKFSA-N 0 0 416.499 1.718 50 0 HDAARN COc1ccc(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c(OC)c1 ZINC000057413099 568833416 /nfs/dbraw/zinc/83/34/16/568833416.db2.gz RVMJRLWBVWSBDO-UHFFFAOYSA-N 0 0 402.432 1.994 50 0 HDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414729 568833587 /nfs/dbraw/zinc/83/35/87/568833587.db2.gz GASICHKQSJYMPP-SFHVURJKSA-N 0 0 416.478 1.064 50 0 HDAARN COC(=O)C1C(CN2CCN(c3ccccn3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414308 568833678 /nfs/dbraw/zinc/83/36/78/568833678.db2.gz CMWQNQRUCXWCEX-HXUWFJFHSA-N 0 0 407.474 1.685 50 0 HDAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)N2CCOCC2)cc1OC ZINC000005994972 568834776 /nfs/dbraw/zinc/83/47/76/568834776.db2.gz NFYSGTZAANTOME-UHFFFAOYSA-N 0 0 418.402 1.565 50 0 HDAARN CCCCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O ZINC000006034773 568836029 /nfs/dbraw/zinc/83/60/29/568836029.db2.gz BNYPRNSOTXGIOD-CYBMUJFWSA-N 0 0 409.533 1.592 50 0 HDAARN Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)nn21 ZINC000012507880 568839911 /nfs/dbraw/zinc/83/99/11/568839911.db2.gz TYGFUKOGCFZOGP-LLVKDONJSA-N 0 0 403.420 1.232 50 0 HDAARN Cn1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)cn1 ZINC000012520281 568841147 /nfs/dbraw/zinc/84/11/47/568841147.db2.gz DPJLDDZEDTUCFI-INIZCTEOSA-N 0 0 406.446 1.514 50 0 HDAARN COCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(OC)cc2OC)c1=O ZINC000057485913 568841772 /nfs/dbraw/zinc/84/17/72/568841772.db2.gz IXUICDNFGLBZTF-UHFFFAOYSA-N 0 0 419.459 1.527 50 0 HDAARN CCCn1c2nc(-c3ccc(F)cc3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000012525258 568842665 /nfs/dbraw/zinc/84/26/65/568842665.db2.gz WNKZPBZLYAYIDP-UHFFFAOYSA-N 0 0 401.442 1.435 50 0 HDAARN COc1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1NS(C)(=O)=O ZINC000012526222 568843048 /nfs/dbraw/zinc/84/30/48/568843048.db2.gz VQWBJAXBVAJMDW-UHFFFAOYSA-N 0 0 416.459 1.724 50 0 HDAARN COc1ccc([C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c2nccn2C)cc1 ZINC000012525675 568843077 /nfs/dbraw/zinc/84/30/77/568843077.db2.gz LTXJCQSQDIEPSQ-LAUBAEHRSA-N 0 0 411.462 1.355 50 0 HDAARN Cc1ccccc1-n1ccnc1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000012529459 568843998 /nfs/dbraw/zinc/84/39/98/568843998.db2.gz XSQWUAYXWMGGOP-UHFFFAOYSA-N 0 0 413.547 1.696 50 0 HDAARN CN(CC(=O)NC1CC1)C(=O)CNc1ccccc1C(=O)NCCc1ccccc1 ZINC000012533466 568844790 /nfs/dbraw/zinc/84/47/90/568844790.db2.gz RJCDURWWOFZVHW-UHFFFAOYSA-N 0 0 408.502 1.808 50 0 HDAARN COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000003238215 568847799 /nfs/dbraw/zinc/84/77/99/568847799.db2.gz UVSGGIQGLDFYRR-UHFFFAOYSA-N 0 0 402.403 1.624 50 0 HDAARN COc1cc(C(=O)NCCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000003041162 568847847 /nfs/dbraw/zinc/84/78/47/568847847.db2.gz RYAFCXITHUMHAI-UHFFFAOYSA-N 0 0 416.430 1.877 50 0 HDAARN COc1ccccc1NC(=O)Cn1c2nc(N3CCCC3)sc2c(=O)n(C)c1=O ZINC000057520451 568849365 /nfs/dbraw/zinc/84/93/65/568849365.db2.gz FMHNZCILIPGWOS-UHFFFAOYSA-N 0 0 415.475 1.404 50 0 HDAARN CCn1c(=O)c2ccccc2n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1=O ZINC000012544319 568849507 /nfs/dbraw/zinc/84/95/07/568849507.db2.gz VNQFMMWPVLVQCU-UHFFFAOYSA-N 0 0 417.469 1.744 50 0 HDAARN C[C@H](OC(=O)c1cccc(NC(N)=O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000012544800 568850077 /nfs/dbraw/zinc/85/00/77/568850077.db2.gz QSSZKHKXODGZOG-NSHDSACASA-N 0 0 405.432 1.977 50 0 HDAARN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 ZINC000012557000 568855772 /nfs/dbraw/zinc/85/57/72/568855772.db2.gz FRNFJYQBZQAMQS-MRXNPFEDSA-N 0 0 408.501 1.713 50 0 HDAARN O=S(=O)([O-])CCC[n+]1c(CNS(=O)(=O)c2ccccc2)cn2ccsc21 ZINC000003170351 568859517 /nfs/dbraw/zinc/85/95/17/568859517.db2.gz UWQWBPLDLQUYFY-UHFFFAOYSA-O 0 0 416.526 1.045 50 0 HDAARN CN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)C1CCCCC1 ZINC000012567438 568860436 /nfs/dbraw/zinc/86/04/36/568860436.db2.gz FZYGXDDYIIFHMM-FQEVSTJZSA-N 0 0 411.466 1.220 50 0 HDAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000012567897 568860552 /nfs/dbraw/zinc/86/05/52/568860552.db2.gz FLVIIZWXVDZQDE-OAQYLSRUSA-N 0 0 421.413 1.378 50 0 HDAARN Cc1ccc(C)c(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c1 ZINC000012581795 568864462 /nfs/dbraw/zinc/86/44/62/568864462.db2.gz NLBMGSBKTOVXKG-UHFFFAOYSA-N 0 0 424.486 1.813 50 0 HDAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cnc3ccccc3c2)c1 ZINC000012589112 568867717 /nfs/dbraw/zinc/86/77/17/568867717.db2.gz XOGMWCRVFUDABH-UHFFFAOYSA-N 0 0 412.471 1.854 50 0 HDAARN O=S(=O)(c1ccc(Sc2n[nH]c(-c3ccncc3)n2)nc1)N1CCOCC1 ZINC000012588749 568867932 /nfs/dbraw/zinc/86/79/32/568867932.db2.gz OBNRTZVIUHPBGU-UHFFFAOYSA-N 0 0 404.477 1.434 50 0 HDAARN CNC(=O)c1nnsc1Sc1c(C(=O)NC)nnn1-c1ccc(Cl)cc1 ZINC000003766963 568868067 /nfs/dbraw/zinc/86/80/67/568868067.db2.gz PHROWQMAIZUQDC-UHFFFAOYSA-N 0 0 409.884 1.643 50 0 HDAARN O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000012601181 568870065 /nfs/dbraw/zinc/87/00/65/568870065.db2.gz QCIUJHJKCUGNPO-UHFFFAOYSA-N 0 0 406.414 1.759 50 0 HDAARN Cc1ccc2nc(CN3C(=O)N[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)cn2c1 ZINC000012601125 568870101 /nfs/dbraw/zinc/87/01/01/568870101.db2.gz QXKQCLLKJHVCCZ-HXUWFJFHSA-N 0 0 402.418 1.586 50 0 HDAARN CCOc1ccccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000012603075 568870406 /nfs/dbraw/zinc/87/04/06/568870406.db2.gz GFPNZIYDECVRDF-HUUCEWRRSA-N 0 0 400.431 1.908 50 0 HDAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012602953 568870454 /nfs/dbraw/zinc/87/04/54/568870454.db2.gz HSKKUTZONRYSAZ-UHFFFAOYSA-N 0 0 410.261 1.399 50 0 HDAARN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000004027453 568878378 /nfs/dbraw/zinc/87/83/78/568878378.db2.gz KFBDTHSSJMQGMW-JKSUJKDBSA-N 0 0 421.498 1.160 50 0 biogenic HDAARN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000012626365 568878710 /nfs/dbraw/zinc/87/87/10/568878710.db2.gz QUQNZMONHPNZCX-UHFFFAOYSA-N 0 0 404.478 1.817 50 0 HDAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000003314543 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O=C(c1cc(Cl)c2c(c1)OCCO2)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000007777223 569308585 /nfs/dbraw/zinc/30/85/85/569308585.db2.gz XWOCIQFKKYXBLB-UONOGXRCSA-N 0 0 415.895 1.920 50 0 HDAARN CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000007780344 569309686 /nfs/dbraw/zinc/30/96/86/569309686.db2.gz QNKVOQFIVOEKFF-AWEZNQCLSA-N 0 0 422.956 1.386 50 0 HDAARN COc1ccc2c(CC(=O)OCC(=O)NCCN3C(=O)CSC3=O)coc2c1 ZINC000007784153 569310197 /nfs/dbraw/zinc/31/01/97/569310197.db2.gz SFPPWSHNGJFUTB-UHFFFAOYSA-N 0 0 406.416 1.339 50 0 HDAARN CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000007785213 569310439 /nfs/dbraw/zinc/31/04/39/569310439.db2.gz APCPOXSWBFKEEB-UHFFFAOYSA-N 0 0 401.488 1.933 50 0 HDAARN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccsc1 ZINC000007806186 569311846 /nfs/dbraw/zinc/31/18/46/569311846.db2.gz KMUXASWZNDZTFS-UHFFFAOYSA-N 0 0 411.524 1.852 50 0 HDAARN COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(C)cc4)c(=O)n3C2=O)cc1 ZINC000066091617 569314651 /nfs/dbraw/zinc/31/46/51/569314651.db2.gz GQOOOTJXCILGRX-UHFFFAOYSA-N 0 0 407.430 1.667 50 0 HDAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(C)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252666275 569319009 /nfs/dbraw/zinc/31/90/09/569319009.db2.gz AYYLKSPWNLDZCF-GOSISDBHSA-N 0 0 408.483 1.532 50 0 HDAARN CCc1cc(N2CCC[C@H]2C(=O)N(C)C)nc(CN2CCC[C@H]2C(=O)N(C)C)n1 ZINC000252676539 569319658 /nfs/dbraw/zinc/31/96/58/569319658.db2.gz XJPOWWHGWITCSQ-IRXDYDNUSA-N 0 0 402.543 1.149 50 0 HDAARN CC[C@H](C)NC(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCc2ccco2)c1=O ZINC000002498335 569322155 /nfs/dbraw/zinc/32/21/55/569322155.db2.gz QOVJGJBBAAEQOE-LBPRGKRZSA-N 0 0 418.475 1.049 50 0 HDAARN COc1ccc(Cc2nn3c(nc2=O)s/c(=C\c2ccccc2OC)c3=O)cc1 ZINC000002253081 569324654 /nfs/dbraw/zinc/32/46/54/569324654.db2.gz PLBIAXGVZUPPHJ-PDGQHHTCSA-N 0 0 407.451 1.667 50 0 HDAARN Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000253398259 569365377 /nfs/dbraw/zinc/36/53/77/569365377.db2.gz RJJARYDDSYOEIV-CQSZACIVSA-N 0 0 400.508 1.796 50 0 HDAARN CC(C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(OCC3CCOCC3)nc2)CC1 ZINC000253399708 569365431 /nfs/dbraw/zinc/36/54/31/569365431.db2.gz JUZBLQYCDKLRGP-KRWDZBQOSA-N 0 0 418.538 1.558 50 0 HDAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c(OC)c1 ZINC000002343246 569376484 /nfs/dbraw/zinc/37/64/84/569376484.db2.gz YLBPCXHEAUQJIX-ODLFYWEKSA-N 0 0 421.478 1.975 50 0 HDAARN O=S(=O)(NC[C@H](O)c1ccc2c(c1)OCCO2)c1ccc(-n2cccn2)cc1 ZINC000253473690 569381485 /nfs/dbraw/zinc/38/14/85/569381485.db2.gz XDTATMMELNBLSX-KRWDZBQOSA-N 0 0 401.444 1.655 50 0 HDAARN CN1c2ccccc2N(CCNS(=O)(=O)Cc2ccc(Cl)cc2)S1(=O)=O ZINC000253473279 569381520 /nfs/dbraw/zinc/38/15/20/569381520.db2.gz TZDBHFPTTWUZDE-UHFFFAOYSA-N 0 0 415.924 1.961 50 0 HDAARN O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCN1CCOCC1 ZINC000252482725 569387533 /nfs/dbraw/zinc/38/75/33/569387533.db2.gz DMLNGOVAFJDNMN-SFHVURJKSA-N 0 0 410.474 1.698 50 0 HDAARN CC[C@@]1(C)NC(=O)N(NC(=O)CN2C(=O)SC(=Cc3cccs3)C2=O)C1=O ZINC000010538372 569396580 /nfs/dbraw/zinc/39/65/80/569396580.db2.gz OVUYKHCDDWPFLU-BSDKJSHOSA-N 0 0 408.461 1.536 50 0 HDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)C[C@@H](O)CO)c12)OC(C)(C)CC3 ZINC000012895436 569404690 /nfs/dbraw/zinc/40/46/90/569404690.db2.gz MRRXKKODIRZOHK-CYBMUJFWSA-N 0 0 405.447 1.395 50 0 biogenic HDAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O ZINC000013040749 569407935 /nfs/dbraw/zinc/40/79/35/569407935.db2.gz FDLYENSWAKCPOU-UHFFFAOYSA-N 0 0 420.466 1.229 50 0 HDAARN CC(=O)NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013072263 569408585 /nfs/dbraw/zinc/40/85/85/569408585.db2.gz VYYARSBVXIXMMP-TXEJJXNPSA-N 0 0 417.915 1.004 50 0 HDAARN COc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000013102203 569409180 /nfs/dbraw/zinc/40/91/80/569409180.db2.gz QHIDEHBYSHKGJR-UHFFFAOYSA-N 0 0 422.503 1.740 50 0 HDAARN COc1cc(C2=NC3=NC(C)=C(C(N)=O)[C@@H](c4ccncc4)N3N2)cc(OC)c1OC ZINC000013123757 569409661 /nfs/dbraw/zinc/40/96/61/569409661.db2.gz ZZSPYNNOPVVHNV-QGZVFWFLSA-N 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CCC[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000078968816 569422292 /nfs/dbraw/zinc/42/22/92/569422292.db2.gz QBBJCVZWVUKMLM-HOTGVXAUSA-N 0 0 417.572 1.353 50 0 HDAARN COc1cc(CC2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2)cc(OC)c1 ZINC000079016203 569423924 /nfs/dbraw/zinc/42/39/24/569423924.db2.gz DNFDCZJUKBNJTR-OAQYLSRUSA-N 0 0 422.485 1.825 50 0 HDAARN C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000079103973 569427578 /nfs/dbraw/zinc/42/75/78/569427578.db2.gz XLOXLIVBZZWSRT-KBXCAEBGSA-N 0 0 412.533 1.727 50 0 HDAARN Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)nn1-c1ccccc1 ZINC000079107438 569427777 /nfs/dbraw/zinc/42/77/77/569427777.db2.gz MWJDFSOJXQOSBG-LJQANCHMSA-N 0 0 419.485 1.513 50 0 HDAARN C[C@@]1(CO)CCC[C@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000079109981 569428018 /nfs/dbraw/zinc/42/80/18/569428018.db2.gz CNKNDBGWHMYCBG-QUCCMNQESA-N 0 0 410.536 1.307 50 0 HDAARN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1C 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CCOC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000067287483 571065822 /nfs/dbraw/zinc/06/58/22/571065822.db2.gz YTWBHBMSQXLLHD-IBGZPJMESA-N 0 0 416.478 1.030 50 0 HDAARN Cc1ccc(F)cc1-n1ccn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c1=O ZINC000067320389 571077391 /nfs/dbraw/zinc/07/73/91/571077391.db2.gz HRGWRNYCUGYIEC-UHFFFAOYSA-N 0 0 411.389 1.492 50 0 HDAARN COc1ccc(CNC(=O)C2=CC(c3cccc(OC)c3)=NS(=O)(=O)N2C)cc1 ZINC000008587767 571084091 /nfs/dbraw/zinc/08/40/91/571084091.db2.gz PJLPHIVQSUZGMN-UHFFFAOYSA-N 0 0 415.471 1.883 50 0 HDAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038834559 571085841 /nfs/dbraw/zinc/08/58/41/571085841.db2.gz ICXAVHWISLLBJV-KRWDZBQOSA-N 0 0 404.444 1.947 50 0 HDAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)O2 ZINC000038853814 571088498 /nfs/dbraw/zinc/08/84/98/571088498.db2.gz PUZXUVBXTURHGD-SFHVURJKSA-N 0 0 404.444 1.932 50 0 HDAARN CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000038858820 571088884 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417.487 1.560 50 0 HDAARN Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cc(Br)ccc1O ZINC000002887320 557422592 /nfs/dbraw/zinc/42/25/92/557422592.db2.gz OVVIMWNDEFYHPG-UHFFFAOYSA-N 0 0 413.297 1.901 50 0 HDAARN CCOC(=O)CNC(=O)CSc1nc(NCc2ccccc2)nc(N(C)C)n1 ZINC000002887702 557422962 /nfs/dbraw/zinc/42/29/62/557422962.db2.gz YTJPJOPMOOUPFI-UHFFFAOYSA-N 0 0 404.496 1.321 50 0 HDAARN COCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000002995054 557438379 /nfs/dbraw/zinc/43/83/79/557438379.db2.gz IGDLOMYZEPBKNG-UHFFFAOYSA-N 0 0 424.450 1.555 50 0 HDAARN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000003117533 557447685 /nfs/dbraw/zinc/44/76/85/557447685.db2.gz UIITUMAGQITWEY-UHFFFAOYSA-N 0 0 414.472 1.884 50 0 HDAARN CCN1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2cccc(Cl)c2)CC3)CC1 ZINC000034797224 557472360 /nfs/dbraw/zinc/47/23/60/557472360.db2.gz RDIRYOVPUWRPTP-UHFFFAOYSA-N 0 0 415.925 1.968 50 0 HDAARN COCCN1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(Br)c3)C2)CC1 ZINC000034916633 557482607 /nfs/dbraw/zinc/48/26/07/557482607.db2.gz ZXZNIPAAOBOHJU-INIZCTEOSA-N 0 0 424.339 1.588 50 0 HDAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000022642831 557489464 /nfs/dbraw/zinc/48/94/64/557489464.db2.gz MZCHKYBTEDQJNZ-UHFFFAOYSA-N 0 0 404.471 1.595 50 0 HDAARN O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000004008894 557504748 /nfs/dbraw/zinc/50/47/48/557504748.db2.gz JYKUGGCJZPTERA-LZDSYCOUSA-N 0 0 418.243 1.982 50 0 HDAARN CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)NCCOC)C2)cc1 ZINC000035325386 557514506 /nfs/dbraw/zinc/51/45/06/557514506.db2.gz LFHXWXNMKWODDT-INIZCTEOSA-N 0 0 413.540 1.631 50 0 HDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004276351 557534965 /nfs/dbraw/zinc/53/49/65/557534965.db2.gz FEZPNUQBMVVVFT-OAHLLOKOSA-N 0 0 400.522 1.168 50 0 HDAARN O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000004276352 557534975 /nfs/dbraw/zinc/53/49/75/557534975.db2.gz FEZPNUQBMVVVFT-HNNXBMFYSA-N 0 0 400.522 1.168 50 0 HDAARN O=C1NCCCC[C@@H]1NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000004389330 557550350 /nfs/dbraw/zinc/55/03/50/557550350.db2.gz VSTNILKGXGXUBP-AWEZNQCLSA-N 0 0 414.530 1.528 50 0 HDAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCO)CC1 ZINC000004488083 557558974 /nfs/dbraw/zinc/55/89/74/557558974.db2.gz OYVNIKZOLHPWHO-UHFFFAOYSA-N 0 0 404.916 1.638 50 0 HDAARN O[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000004722028 557586523 /nfs/dbraw/zinc/58/65/23/557586523.db2.gz WMNZCEKHTHLIRQ-URYYLNOGSA-N 0 0 422.477 1.795 50 0 HDAARN Cn1c2ncn(CCC(=O)Nc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000004732102 557588459 /nfs/dbraw/zinc/58/84/59/557588459.db2.gz IOUYJKOQWWNPKA-UHFFFAOYSA-N 0 0 406.240 1.225 50 0 HDAARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O ZINC000004760601 557595429 /nfs/dbraw/zinc/59/54/29/557595429.db2.gz RJPCSDQRGLGIPH-MOPGFXCFSA-N 0 0 413.474 1.856 50 0 HDAARN COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC ZINC000004820651 557602680 /nfs/dbraw/zinc/60/26/80/557602680.db2.gz JSNBHMIXOTVXRC-UHFFFAOYSA-N 0 0 421.519 1.676 50 0 biogenic HDAARN Cn1c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3C)cc2n(C)c1=O ZINC000004937585 557615015 /nfs/dbraw/zinc/61/50/15/557615015.db2.gz VCIYUZGFGVTYRX-UHFFFAOYSA-N 0 0 409.475 1.798 50 0 HDAARN CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005759681 557673385 /nfs/dbraw/zinc/67/33/85/557673385.db2.gz CHDYFPCQVUOJEB-ULQDDVLXSA-N 0 0 409.552 1.410 50 0 HDAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2N)c1 ZINC000002391728 557705970 /nfs/dbraw/zinc/70/59/70/557705970.db2.gz KFGDINGKXBOABN-UHFFFAOYSA-N 0 0 418.504 1.346 50 0 HDAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000006702989 557716334 /nfs/dbraw/zinc/71/63/34/557716334.db2.gz ICBWVHNUPREKTF-CYBMUJFWSA-N 0 0 402.900 1.608 50 0 HDAARN CCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccccc2OC)c1=O ZINC000006759596 557719701 /nfs/dbraw/zinc/71/97/01/557719701.db2.gz CSSIWTJLOUBEHC-UHFFFAOYSA-N 0 0 413.430 1.848 50 0 HDAARN CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000007766022 557759791 /nfs/dbraw/zinc/75/97/91/557759791.db2.gz FSGITOPJFAWAIN-UHFFFAOYSA-N 0 0 410.492 1.123 50 0 HDAARN CC(C)(C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000008219349 557776551 /nfs/dbraw/zinc/77/65/51/557776551.db2.gz HIJVOIFEEDZZSH-CQSZACIVSA-N 0 0 409.508 1.293 50 0 HDAARN O=C(COc1ccccc1)NCCN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000022732896 557806949 /nfs/dbraw/zinc/80/69/49/557806949.db2.gz GBVFRIOGRJYSEO-UHFFFAOYSA-N 0 0 403.504 1.188 50 0 HDAARN CC(C)C(=O)N[C@H](NC(=S)N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl ZINC000008828586 557811168 /nfs/dbraw/zinc/81/11/68/557811168.db2.gz IBYYVEJYNOPOAS-VXNVDRBHSA-N 0 0 410.776 1.106 50 0 HDAARN Cc1nc(C)n([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000008844831 557811979 /nfs/dbraw/zinc/81/19/79/557811979.db2.gz BXHMUIFDBHVBEB-OAHLLOKOSA-N 0 0 405.524 1.688 50 0 HDAARN Cc1ccc(CNC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000022917035 558259383 /nfs/dbraw/zinc/25/93/83/558259383.db2.gz LQTCHGCXSLQHTH-BGYRXZFFSA-N 0 0 400.567 1.733 50 0 HDAARN CCCc1cc(C(=O)N2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)no1 ZINC000011786439 558276298 /nfs/dbraw/zinc/27/62/98/558276298.db2.gz KJKLLVMJMLBERW-UHFFFAOYSA-N 0 0 408.462 1.847 50 0 HDAARN Cn1ccnc1SCCNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000011819334 558282452 /nfs/dbraw/zinc/28/24/52/558282452.db2.gz KNTSHXAWFXLSPD-SFHVURJKSA-N 0 0 415.563 1.452 50 0 HDAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019796715 558284380 /nfs/dbraw/zinc/28/43/80/558284380.db2.gz RLNFBSMZXJKWPX-UHFFFAOYSA-N 0 0 418.497 1.861 50 0 HDAARN CCOC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 ZINC000019799192 558285087 /nfs/dbraw/zinc/28/50/87/558285087.db2.gz FHNXKKHPKDFPND-UHFFFAOYSA-N 0 0 419.507 1.555 50 0 HDAARN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000019804482 558285785 /nfs/dbraw/zinc/28/57/85/558285785.db2.gz GQAJEFHCERYSOW-KRWDZBQOSA-N 0 0 417.535 1.487 50 0 HDAARN O=C(NCCN1CCN(Cc2ccccc2Cl)CC1)C(=O)NCc1ccccc1 ZINC000019818549 558288879 /nfs/dbraw/zinc/28/88/79/558288879.db2.gz CHLHIBPRIVQADW-UHFFFAOYSA-N 0 0 414.937 1.890 50 0 HDAARN CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000011859065 558289495 /nfs/dbraw/zinc/28/94/95/558289495.db2.gz WWJBPLZOMCCIMH-MKBNYLNASA-N 0 0 422.356 1.497 50 0 HDAARN COc1cc(/C=c2/sc3nc(=O)c(C)nn3c2=O)ccc1OCc1ccccc1 ZINC000019834337 558292267 /nfs/dbraw/zinc/29/22/67/558292267.db2.gz PSIWWQJHJURKHS-WOJGMQOQSA-N 0 0 407.451 1.955 50 0 HDAARN COc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)cc1 ZINC000019857119 558296429 /nfs/dbraw/zinc/29/64/29/558296429.db2.gz AKERLASUGDHPQB-MRXNPFEDSA-N 0 0 413.377 1.809 50 0 HDAARN Cc1nccn1CC[C@H](NC(=O)Cn1nnnc1CN1CCCC1)c1ccccc1 ZINC000011936409 558300521 /nfs/dbraw/zinc/30/05/21/558300521.db2.gz FVDROGNXXQHQCJ-IBGZPJMESA-N 0 0 408.510 1.722 50 0 HDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCCOC(C)C ZINC000011997697 558307215 /nfs/dbraw/zinc/30/72/15/558307215.db2.gz BJBBUCJESJNEGL-UHFFFAOYSA-N 0 0 404.510 1.155 50 0 HDAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(CCO)CC4)c3C3CC3)n2)o1 ZINC000012025024 558310000 /nfs/dbraw/zinc/31/00/00/558310000.db2.gz GNIYQWDUAUVPJM-UHFFFAOYSA-N 0 0 422.489 1.858 50 0 HDAARN CC(=O)NCC1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000012054658 558315314 /nfs/dbraw/zinc/31/53/14/558315314.db2.gz DMAUCBGWQUUQNL-LJQANCHMSA-N 0 0 403.498 1.982 50 0 HDAARN COc1cccc(CN(C)Cc2nonc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000012075495 558319600 /nfs/dbraw/zinc/31/96/00/558319600.db2.gz UDKSZBLUMWXTQP-KRWDZBQOSA-N 0 0 406.483 1.091 50 0 HDAARN CS(=O)(=O)N(CCCC(=O)NCCN1CCOCC1)c1cccc(Cl)c1 ZINC000020018697 558320572 /nfs/dbraw/zinc/32/05/72/558320572.db2.gz PXJPGUJADUYZAJ-UHFFFAOYSA-N 0 0 403.932 1.335 50 0 HDAARN CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000012127173 558331278 /nfs/dbraw/zinc/33/12/78/558331278.db2.gz DCEOLFDNGDZJIP-QGZVFWFLSA-N 0 0 413.494 1.861 50 0 HDAARN COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)NCc3ccccn3)=C2)c1 ZINC000020219961 558348658 /nfs/dbraw/zinc/34/86/58/558348658.db2.gz DULARWJBELJOHD-UHFFFAOYSA-N 0 0 416.459 1.278 50 0 HDAARN COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC(OC)CC2)c(C)c1C ZINC000012198693 558350539 /nfs/dbraw/zinc/35/05/39/558350539.db2.gz LYBVMDRVGZKGGN-IBGZPJMESA-N 0 0 403.523 1.640 50 0 HDAARN Cc1cccc(-n2ccnc2CN2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)c1 ZINC000020386337 558358752 /nfs/dbraw/zinc/35/87/52/558358752.db2.gz BXSIBIGFPWMSJB-VXKWHMMOSA-N 0 0 418.545 1.943 50 0 HDAARN Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1 ZINC000020392263 558359332 /nfs/dbraw/zinc/35/93/32/558359332.db2.gz ABEYNYNDUXNRRY-UHFFFAOYSA-N 0 0 424.505 1.079 50 0 HDAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 ZINC000012305510 558374505 /nfs/dbraw/zinc/37/45/05/558374505.db2.gz BAVRPCAIPNQVKN-CQSZACIVSA-N 0 0 408.462 1.992 50 0 HDAARN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCN(C)CC1 ZINC000020472897 558374543 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CC(C)(C)C(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000002486882 568775324 /nfs/dbraw/zinc/77/53/24/568775324.db2.gz MYTLBQJNOREDBP-KRWDZBQOSA-N 0 0 410.352 1.398 50 0 HDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000225599474 568775608 /nfs/dbraw/zinc/77/56/08/568775608.db2.gz CUZWWQHHSSDUBC-UHFFFAOYSA-N 0 0 419.463 1.811 50 0 HDAARN CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000225598972 568775637 /nfs/dbraw/zinc/77/56/37/568775637.db2.gz OMSMZOIGEYQVAA-UHFFFAOYSA-N 0 0 418.566 1.129 50 0 HDAARN COC1(CNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)Cc2ccccc2C1 ZINC000225722017 568779787 /nfs/dbraw/zinc/77/97/87/568779787.db2.gz HZNJURBKNIZUKB-UHFFFAOYSA-N 0 0 414.483 1.802 50 0 HDAARN CSCC[C@H](NC(C)=O)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225729084 568779920 /nfs/dbraw/zinc/77/99/20/568779920.db2.gz CYKYNVQYQKEKMI-LBPRGKRZSA-N 0 0 405.446 1.402 50 0 HDAARN O=C(c1ccsc1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000056125358 568786526 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CCOc1ccc(CN(CC)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000012784227 568959456 /nfs/dbraw/zinc/95/94/56/568959456.db2.gz NHHXDPCXHHAUKS-UHFFFAOYSA-N 0 0 413.540 1.020 50 0 HDAARN Cn1cnc2c1c(=O)n(CC(=O)Oc1ccccc1Cc1ccccc1)c(=O)n2C ZINC000015657535 568959529 /nfs/dbraw/zinc/95/95/29/568959529.db2.gz NDCWTMDXYGPAJW-UHFFFAOYSA-N 0 0 404.426 1.630 50 0 HDAARN O=C(c1n[nH]c(=O)c2ccccc21)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000012786925 568960475 /nfs/dbraw/zinc/96/04/75/568960475.db2.gz UDNPEGNPPQBTHR-SFHVURJKSA-N 0 0 420.425 1.048 50 0 HDAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(C(=O)OC)cc2)C1=O ZINC000004306416 568960635 /nfs/dbraw/zinc/96/06/35/568960635.db2.gz TVZWRXHEHCZBRY-QFIPXVFZSA-N 0 0 409.442 1.947 50 0 HDAARN COc1ccc(Cn2c(C)c(C)n3c2nc2c3c(=O)n([C@H](C)C(C)=O)c(=O)n2C)cc1 ZINC000004314156 568961539 /nfs/dbraw/zinc/96/15/39/568961539.db2.gz QDOYXCQAVQQSEB-CQSZACIVSA-N 0 0 423.473 1.973 50 0 HDAARN CCOc1ccc(CCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)cc1 ZINC000015672406 568962645 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O=c1nc2nc(N3CCN(c4ncccn4)CC3)[nH]cc-2c(=O)n1-c1ccc(F)cc1 ZINC000067264283 571062212 /nfs/dbraw/zinc/06/22/12/571062212.db2.gz HIIVKLLDRRTDJQ-UHFFFAOYSA-N 0 0 420.408 1.137 50 0 HDAARN COC(=O)C1=C(CN2CCN(C(C)=O)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067285580 571063944 /nfs/dbraw/zinc/06/39/44/571063944.db2.gz XXVDCBAKSHYQGD-QGZVFWFLSA-N 0 0 406.870 1.285 50 0 HDAARN CCOC(=O)C1=C(CN2CCOCC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286189 571064370 /nfs/dbraw/zinc/06/43/70/571064370.db2.gz GWIZZJKQAMJZND-MRXNPFEDSA-N 0 0 424.295 1.952 50 0 HDAARN CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000067287235 571065185 /nfs/dbraw/zinc/06/51/85/571065185.db2.gz YEGGLSXOBZGFMO-SFHVURJKSA-N 0 0 419.453 1.836 50 0 HDAARN C[C@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000008521149 571073867 /nfs/dbraw/zinc/07/38/67/571073867.db2.gz QTNSOKROLFVUEN-NHYWBVRUSA-N 0 0 413.879 1.693 50 0 HDAARN C[C@@H](OC(=O)C1=Cc2cc(Cl)ccc2OC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000008521144 571073912 /nfs/dbraw/zinc/07/39/12/571073912.db2.gz QTNSOKROLFVUEN-IAQYHMDHSA-N 0 0 413.879 1.693 50 0 HDAARN COCc1cc(=O)n(CC(=O)N[C@H](C)c2ccc(C)cc2)c(N2CCOCC2)n1 ZINC000067319508 571076530 /nfs/dbraw/zinc/07/65/30/571076530.db2.gz LYSDPIOKXJZPLG-MRXNPFEDSA-N 0 0 400.479 1.412 50 0 HDAARN COCc1cc(=O)n(CC(=O)NCc2ccc(C)c(C)c2)c(N2CCOCC2)n1 ZINC000067319498 571076538 /nfs/dbraw/zinc/07/65/38/571076538.db2.gz LHUZLCSSPRUGML-UHFFFAOYSA-N 0 0 400.479 1.160 50 0 HDAARN CCOC(=O)N1CCc2nn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)cc2C1 ZINC000067319093 571076564 /nfs/dbraw/zinc/07/65/64/571076564.db2.gz HUJLZDCICFTQKF-UHFFFAOYSA-N 0 0 418.881 1.770 50 0 HDAARN CCOC(=O)N1CCc2nn(CC(=O)NCc3cccc(Cl)c3)c(=O)cc2C1 ZINC000067319071 571076667 /nfs/dbraw/zinc/07/66/67/571076667.db2.gz WQIWLWRJWATHCL-UHFFFAOYSA-N 0 0 404.854 1.728 50 0 HDAARN CCOc1cc(=O)c(C(=O)N2CCC3(CC2)OCCO3)nn1-c1ccc(F)c(F)c1 ZINC000067350207 571081724 /nfs/dbraw/zinc/08/17/24/571081724.db2.gz OFEXASKJYRQXKW-UHFFFAOYSA-N 0 0 421.400 1.889 50 0 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CCOC(=O)CN(CC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000062582572 559273890 /nfs/dbraw/zinc/27/38/90/559273890.db2.gz FOGODTNSXHNNIA-UHFFFAOYSA-N 0 0 408.520 1.889 50 0 HDAARN NC(=O)[C@H]1CN(C(=O)c2csc(-c3cc(Br)cs3)n2)CCO1 ZINC000050841636 559277033 /nfs/dbraw/zinc/27/70/33/559277033.db2.gz YYZHBCXAGONDIZ-SECBINFHSA-N 0 0 402.295 1.960 50 0 HDAARN CCN(C(=O)CN1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000252527719 559277831 /nfs/dbraw/zinc/27/78/31/559277831.db2.gz DEVPXQGRNXRWBT-CHWSQXEVSA-N 0 0 422.473 1.644 50 0 HDAARN COCCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccccc1C(=O)OC ZINC000024273793 559281854 /nfs/dbraw/zinc/28/18/54/559281854.db2.gz YXPBYDUQIAVGKB-KRWDZBQOSA-N 0 0 406.435 1.650 50 0 HDAARN COc1ccc(N2C[C@@H](C(=O)NCCn3cnc4ccccc4c3=O)CC2=O)cc1 ZINC000061720341 560536531 /nfs/dbraw/zinc/53/65/31/560536531.db2.gz XXIHFOIBJHJYIV-HNNXBMFYSA-N 0 0 406.442 1.574 50 0 HDAARN COc1cccc(N2C[C@H](C(=O)NCCn3cnc4ccccc4c3=O)CC2=O)c1 ZINC000061721193 560537496 /nfs/dbraw/zinc/53/74/96/560537496.db2.gz XELKOFVLDYEHCC-OAHLLOKOSA-N 0 0 406.442 1.574 50 0 HDAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000061722058 560538023 /nfs/dbraw/zinc/53/80/23/560538023.db2.gz GBIILFFITAYLDW-KRWDZBQOSA-N 0 0 405.545 1.684 50 0 HDAARN COC(=O)CNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1Cc1ccccc1 ZINC000005205120 560539177 /nfs/dbraw/zinc/53/91/77/560539177.db2.gz SUSHGSOSSMWCPG-UHFFFAOYSA-N 0 0 404.426 1.909 50 0 HDAARN COc1ccc(N2C[C@H](NS(=O)(=O)c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000005222065 560545203 /nfs/dbraw/zinc/54/52/03/560545203.db2.gz WJRMUGLTXLVUJF-CYBMUJFWSA-N 0 0 406.460 1.796 50 0 HDAARN COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C(F)(F)F)n1N)CC2 ZINC000005221755 560545212 /nfs/dbraw/zinc/54/52/12/560545212.db2.gz YEMSIYMBQXONQU-UHFFFAOYSA-N 0 0 417.413 1.705 50 0 HDAARN C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000005244940 560550217 /nfs/dbraw/zinc/55/02/17/560550217.db2.gz AHROLPLLHHHEKU-ZDUSSCGKSA-N 0 0 416.455 1.567 50 0 biogenic 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CCc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCC3)cc1 ZINC000169763885 560765901 /nfs/dbraw/zinc/76/59/01/560765901.db2.gz YFXMNEXKYBHLOV-UHFFFAOYSA-N 0 0 409.446 1.906 50 0 HDAARN Cc1nc(-c2c(=O)n(CC(=O)Nc3cccc(F)c3)c(=O)n3c2CCCCC3)no1 ZINC000169764024 560765995 /nfs/dbraw/zinc/76/59/95/560765995.db2.gz BBLMHROBRSYPEY-UHFFFAOYSA-N 0 0 413.409 1.873 50 0 HDAARN CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000018128868 560779455 /nfs/dbraw/zinc/77/94/55/560779455.db2.gz CQMAKBJXOGAUTD-LWYYNNOASA-N 0 0 402.406 1.968 50 0 biogenic HDAARN O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1)Nc1cccc(F)c1 ZINC000018133691 560779491 /nfs/dbraw/zinc/77/94/91/560779491.db2.gz NRBUYSKYOQGUSW-INIZCTEOSA-N 0 0 416.497 1.700 50 0 HDAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(C)nc3[nH]cnn3c2=O)CC1 ZINC000101504131 560796608 /nfs/dbraw/zinc/79/66/08/560796608.db2.gz BXUPGZWJIQIYNS-UHFFFAOYSA-N 0 0 414.897 1.969 50 0 HDAARN CCOC(=O)CCc1c(C)nc2[nH]c(NCc3cccc(OC)c3OC)nn2c1=O 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/nfs/dbraw/zinc/76/34/64/568763464.db2.gz RWLFVSJDSBQOCJ-UHFFFAOYSA-N 0 0 403.464 1.544 50 0 HDAARN COCCN1CC[C@H](N2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)C1=O ZINC000097078214 568767625 /nfs/dbraw/zinc/76/76/25/568767625.db2.gz OSJYJXBVLRMKOL-KRWDZBQOSA-N 0 0 417.535 1.533 50 0 HDAARN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)Nc2cc(F)ccc2O)cc1C ZINC000097165173 568769387 /nfs/dbraw/zinc/76/93/87/568769387.db2.gz CYRDVLHIBNYVJS-OAHLLOKOSA-N 0 0 423.466 1.699 50 0 HDAARN Cn1cccc(C(=O)N2CCC(Cc3n[nH]c(=O)n3-c3ccccc3F)CC2)c1=O ZINC000225543473 568773078 /nfs/dbraw/zinc/77/30/78/568773078.db2.gz BYFAKYOPSSOAKY-UHFFFAOYSA-N 0 0 411.437 1.493 50 0 HDAARN COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2)cc1C ZINC000055387498 568773340 /nfs/dbraw/zinc/77/33/40/568773340.db2.gz BTGFVOVARWWLNB-PKOBYXMFSA-N 0 0 409.529 1.733 50 0 HDAARN COc1nn(C)cc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 ZINC000225564127 568773966 /nfs/dbraw/zinc/77/39/66/568773966.db2.gz DZMUYAUGBQTGSF-UHFFFAOYSA-N 0 0 414.388 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568796640 /nfs/dbraw/zinc/79/66/40/568796640.db2.gz FVHDHWOGFURNIK-CQSZACIVSA-N 0 0 414.443 1.704 50 0 HDAARN CC(C)[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)c2ccccc2C1=O ZINC000002662268 568799265 /nfs/dbraw/zinc/79/92/65/568799265.db2.gz GUXBEMSQIDSECA-KRWDZBQOSA-N 0 0 406.398 1.613 50 0 HDAARN O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000002664737 568800110 /nfs/dbraw/zinc/80/01/10/568800110.db2.gz SCTWRBIECQKDFC-UHFFFAOYSA-N 0 0 421.409 1.858 50 0 HDAARN O=C(NCCc1ccco1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002693571 568801244 /nfs/dbraw/zinc/80/12/44/568801244.db2.gz AHIPHACMHOHJTQ-CVEARBPZSA-N 0 0 405.501 1.932 50 0 HDAARN COC(=O)c1ccccc1OC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000230036268 568803071 /nfs/dbraw/zinc/80/30/71/568803071.db2.gz AFMUCRKXGOPAKJ-VFCJXBEMSA-N 0 0 408.403 1.775 50 0 biogenic HDAARN CCn1cc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C)n1 ZINC000002732233 568804926 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CCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952321 568822122 /nfs/dbraw/zinc/82/21/22/568822122.db2.gz PENAKGQTWRSHMH-UHFFFAOYSA-N 0 0 402.886 1.419 50 0 HDAARN COc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)c1 ZINC000056997656 568822704 /nfs/dbraw/zinc/82/27/04/568822704.db2.gz PDIYMRWSGYDWMK-UHFFFAOYSA-N 0 0 423.510 1.943 50 0 HDAARN COc1cccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000057172851 568824900 /nfs/dbraw/zinc/82/49/00/568824900.db2.gz LQADZWKUPKIREW-VQTJNVASSA-N 0 0 400.500 1.752 50 0 HDAARN O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NC[C@H]1CCCO1 ZINC000005881817 568828163 /nfs/dbraw/zinc/82/81/63/568828163.db2.gz JCNXOBGKXGBUPV-QGZVFWFLSA-N 0 0 418.471 1.939 50 0 HDAARN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(=O)(=O)N(C)C)s3)CC2=O)cc1 ZINC000029774840 568830443 /nfs/dbraw/zinc/83/04/43/568830443.db2.gz CBSAIVVDSLBJND-AWEZNQCLSA-N 0 0 421.544 1.976 50 0 HDAARN CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1ccccc1Cl ZINC000005937490 568830776 /nfs/dbraw/zinc/83/07/76/568830776.db2.gz RMAHJDRIGITAML-UHFFFAOYSA-N 0 0 410.883 1.496 50 0 HDAARN COc1ccc(N2C(=O)CN(Cc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000063376232 568832738 /nfs/dbraw/zinc/83/27/38/568832738.db2.gz HYVYMXBMKMEEJB-OALUTQOASA-N 0 0 416.499 1.718 50 0 HDAARN CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCC(C(N)=O)CC2)=C1C(=O)OC ZINC000057415694 568833977 /nfs/dbraw/zinc/83/39/77/568833977.db2.gz SFNUAHGROCDWLJ-GOSISDBHSA-N 0 0 416.478 1.064 50 0 HDAARN Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3ccccc3F)o1)c(=O)n2C ZINC000005982360 568834162 /nfs/dbraw/zinc/83/41/62/568834162.db2.gz OUWALGWHESAAGT-UHFFFAOYSA-N 0 0 416.438 1.805 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000006007377 568835093 /nfs/dbraw/zinc/83/50/93/568835093.db2.gz ZMRHMUPRDBBZDK-UHFFFAOYSA-N 0 0 403.508 1.093 50 0 HDAARN Cn1c2nc(NCCCn3ccnc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000001805067 568836414 /nfs/dbraw/zinc/83/64/14/568836414.db2.gz WAXVYZYLYSOPOA-UHFFFAOYSA-N 0 0 411.441 1.320 50 0 biogenic HDAARN COCCn1c(=O)c2sccc2n(CC(=O)NCCCc2ccccc2)c1=O ZINC000057485963 568841865 /nfs/dbraw/zinc/84/18/65/568841865.db2.gz AAUCVJFHVYSZAU-UHFFFAOYSA-N 0 0 401.488 1.620 50 0 HDAARN Cc1cc(-n2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)ccc1F ZINC000057494323 568844717 /nfs/dbraw/zinc/84/47/17/568844717.db2.gz OMBMQLHNDVUGKZ-AWEZNQCLSA-N 0 0 417.462 1.957 50 0 HDAARN Cc1ccc(CCC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000012547582 568850795 /nfs/dbraw/zinc/85/07/95/568850795.db2.gz RPSRYHNEMVQOGC-UHFFFAOYSA-N 0 0 423.517 1.614 50 0 HDAARN COCCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc2ncccc2c1 ZINC000057531428 568852430 /nfs/dbraw/zinc/85/24/30/568852430.db2.gz MJQVNUVWJMQIDO-MRXNPFEDSA-N 0 0 408.414 1.632 50 0 HDAARN COc1cc(N2C[C@@H](C(=O)N[C@@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC ZINC000230211621 568855129 /nfs/dbraw/zinc/85/51/29/568855129.db2.gz WEADIGDTLMCEJD-RDJZCZTQSA-N 0 0 414.458 1.915 50 0 HDAARN CCOC(=O)c1cnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc1N ZINC000012558222 568856603 /nfs/dbraw/zinc/85/66/03/568856603.db2.gz AOTMDADSQUTIHD-OAHLLOKOSA-N 0 0 402.476 1.928 50 0 HDAARN COc1ccc(CCN(C)C(=O)COC(=O)c2nc3nccc(C)n3n2)cc1OC ZINC000003401155 568857892 /nfs/dbraw/zinc/85/78/92/568857892.db2.gz OSCVNKMZLQMQHU-UHFFFAOYSA-N 0 0 413.434 1.308 50 0 HDAARN O=S1(=O)CC[C@H](N2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)C1 ZINC000057797829 568861283 /nfs/dbraw/zinc/86/12/83/568861283.db2.gz BELWGTNULIYYSY-LBPRGKRZSA-N 0 0 400.426 1.958 50 0 HDAARN CCOC(=O)c1[nH]c(CN2CCN(c3ncccn3)CC2)c(C(=O)OCC)c1C ZINC000057834292 568862173 /nfs/dbraw/zinc/86/21/73/568862173.db2.gz KFTKCPYTTYZZHW-UHFFFAOYSA-N 0 0 401.467 1.789 50 0 HDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000003234725 568865281 /nfs/dbraw/zinc/86/52/81/568865281.db2.gz NKTOGLBVFPXSQU-UHFFFAOYSA-N 0 0 407.419 1.886 50 0 HDAARN Cc1cc(C)n2c(nnc2SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1 ZINC000012584055 568865600 /nfs/dbraw/zinc/86/56/00/568865600.db2.gz HYKJCJLWZJTFGI-UHFFFAOYSA-N 0 0 417.495 1.365 50 0 HDAARN Cn1c(N)c(C(=O)CSc2ncnc3sc4c(c32)CCCC4)c(=O)n(C)c1=O ZINC000003245937 568867095 /nfs/dbraw/zinc/86/70/95/568867095.db2.gz QTAUXVUTLHUYJQ-UHFFFAOYSA-N 0 0 417.516 1.525 50 0 HDAARN Cn1c(N)c(C(=O)COC(=O)CSc2ccc3ccccc3c2)c(=O)n(C)c1=O ZINC000003249740 568867505 /nfs/dbraw/zinc/86/75/05/568867505.db2.gz PKYGVMMTJWVTTO-UHFFFAOYSA-N 0 0 413.455 1.338 50 0 HDAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1=O ZINC000012602924 568870402 /nfs/dbraw/zinc/87/04/02/568870402.db2.gz LSCKCGVJFXBKAY-DJJJIMSYSA-N 0 0 406.870 1.944 50 0 HDAARN CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1=O ZINC000012602918 568870404 /nfs/dbraw/zinc/87/04/04/568870404.db2.gz LSCKCGVJFXBKAY-YJYMSZOUSA-N 0 0 406.870 1.944 50 0 HDAARN CCN(CCO)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccncc2)C1=O ZINC000299759543 568873059 /nfs/dbraw/zinc/87/30/59/568873059.db2.gz UNAYUSGPXCDRDL-HSZRJFAPSA-N 0 0 409.486 1.818 50 0 HDAARN NS(=O)(=O)Cc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000058005630 568874791 /nfs/dbraw/zinc/87/47/91/568874791.db2.gz NEDDQUGMAXCEHF-ZRDIBKRKSA-N 0 0 423.516 1.394 50 0 HDAARN COc1ccc(-n2c(SCC(=O)NC(N)=O)nc3ccccc3c2=O)cc1OC ZINC000003301212 568876593 /nfs/dbraw/zinc/87/65/93/568876593.db2.gz QQLXFQYGJGBFGK-UHFFFAOYSA-N 0 0 414.443 1.690 50 0 HDAARN COCCn1ccc(=O)c(OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C ZINC000263585152 568878520 /nfs/dbraw/zinc/87/85/20/568878520.db2.gz FPYBFAMOUYSMTL-UHFFFAOYSA-N 0 0 416.474 1.784 50 0 biogenic HDAARN COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000003316076 568879490 /nfs/dbraw/zinc/87/94/90/568879490.db2.gz XFRWWYNDCJGVJJ-UHFFFAOYSA-N 0 0 404.488 1.988 50 0 HDAARN CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 ZINC000003318752 568879926 /nfs/dbraw/zinc/87/99/26/568879926.db2.gz NMHSBBVTFJVQTJ-UHFFFAOYSA-N 0 0 423.516 1.909 50 0 HDAARN O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCCCC1 ZINC000003319807 568880133 /nfs/dbraw/zinc/88/01/33/568880133.db2.gz IVQVOIULYSJSER-UHFFFAOYSA-N 0 0 406.460 1.927 50 0 HDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)N(C(C)C)C(C)C ZINC000003343930 568884208 /nfs/dbraw/zinc/88/42/08/568884208.db2.gz URIDQRMVEQRUGH-SFHVURJKSA-N 0 0 410.536 1.952 50 0 HDAARN COCc1n[nH]c([C@H](Cc2ccccc2)n2cc3c(=O)[nH]nc-3c(C(=O)OC)c2)n1 ZINC000263588881 568884575 /nfs/dbraw/zinc/88/45/75/568884575.db2.gz ZKICNPRJTDCKGK-HNNXBMFYSA-N 0 0 408.418 1.559 50 0 HDAARN COc1ccc(OC)c(NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 ZINC000003346353 568884567 /nfs/dbraw/zinc/88/45/67/568884567.db2.gz APQWBVJHOHPBFH-NRFANRHFSA-N 0 0 411.414 1.872 50 0 HDAARN Cn1c(N)c(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(=O)n(C)c1=O ZINC000003377465 568891517 /nfs/dbraw/zinc/89/15/17/568891517.db2.gz XYYOPOPJWYUCCA-UHFFFAOYSA-N 0 0 421.624 1.061 50 0 HDAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O ZINC000003379988 568892178 /nfs/dbraw/zinc/89/21/78/568892178.db2.gz HLKWPKHXDJCQEP-KRWDZBQOSA-N 0 0 416.459 1.295 50 0 HDAARN COc1cccc(N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)c1 ZINC000030843758 568895920 /nfs/dbraw/zinc/89/59/20/568895920.db2.gz PYBXQIZUQIDIGA-UHFFFAOYSA-N 0 0 421.505 1.698 50 0 HDAARN COc1ccc2[nH]c(CNC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2c1 ZINC000670441941 568897422 /nfs/dbraw/zinc/89/74/22/568897422.db2.gz CFYUYOBSEADHMB-QGZVFWFLSA-N 0 0 405.520 1.692 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000003411275 568898098 /nfs/dbraw/zinc/89/80/98/568898098.db2.gz VVMKBWYTXGZCRC-UHFFFAOYSA-N 0 0 414.480 1.530 50 0 HDAARN Cc1ccc(OCCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000003419547 568899446 /nfs/dbraw/zinc/89/94/46/568899446.db2.gz QZZHKDRTXYJVAB-UHFFFAOYSA-N 0 0 400.431 1.885 50 0 HDAARN CC(C)N(CC(N)=O)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000003428110 568901028 /nfs/dbraw/zinc/90/10/28/568901028.db2.gz TUBRBDSYIMKKNT-UHFFFAOYSA-N 0 0 415.515 1.770 50 0 HDAARN C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003437490 568902962 /nfs/dbraw/zinc/90/29/62/568902962.db2.gz HKYJYLVAPQOOFK-CQSZACIVSA-N 0 0 405.476 1.994 50 0 HDAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N2CCNC2=O)cc1 ZINC000012667363 568907240 /nfs/dbraw/zinc/90/72/40/568907240.db2.gz WONNYGYLTVWNDR-GASCZTMLSA-N 0 0 417.462 1.564 50 0 HDAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(-c2cnccn2)no1 ZINC000263615209 568910326 /nfs/dbraw/zinc/91/03/26/568910326.db2.gz BDXOTJRPPKLNDP-UHFFFAOYSA-N 0 0 419.376 1.683 50 0 HDAARN Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3sccc3C(N)=O)ccc12 ZINC000003503690 568910675 /nfs/dbraw/zinc/91/06/75/568910675.db2.gz KVKQGJXXOZQZTH-UHFFFAOYSA-N 0 0 416.411 1.823 50 0 HDAARN Cn1c(N)c(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000003520154 568911876 /nfs/dbraw/zinc/91/18/76/568911876.db2.gz VOZHJAYYSFDHQA-UHFFFAOYSA-N 0 0 412.475 1.099 50 0 HDAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)c2c(=O)[nH]1 ZINC000263618785 568912025 /nfs/dbraw/zinc/91/20/25/568912025.db2.gz VOCHYUSWMDJDJJ-AWEZNQCLSA-N 0 0 422.489 1.910 50 0 HDAARN COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3CO2)cc1 ZINC000263619388 568912549 /nfs/dbraw/zinc/91/25/49/568912549.db2.gz YMZBXIIRLBVLBE-IBGZPJMESA-N 0 0 420.473 1.916 50 0 HDAARN Cc1cn2nnc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)c2c(=O)[nH]1 ZINC000263619583 568912688 /nfs/dbraw/zinc/91/26/88/568912688.db2.gz ZJFBKDMWJWQAQU-UHFFFAOYSA-N 0 0 414.491 1.411 50 0 HDAARN CCCCN(C(=O)COC(=O)c1sccc1C)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003535154 568913448 /nfs/dbraw/zinc/91/34/48/568913448.db2.gz HPWKXGGDKMASGY-UHFFFAOYSA-N 0 0 422.507 1.889 50 0 HDAARN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000003554468 568915181 /nfs/dbraw/zinc/91/51/81/568915181.db2.gz KSHYQWZMNQDQPM-ZDUSSCGKSA-N 0 0 415.471 1.244 50 0 HDAARN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000003554470 568915217 /nfs/dbraw/zinc/91/52/17/568915217.db2.gz KSHYQWZMNQDQPM-CYBMUJFWSA-N 0 0 415.471 1.244 50 0 HDAARN Cc1cc(C(=O)O[C@@H](C)C(=O)NC2CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000012696882 568916734 /nfs/dbraw/zinc/91/67/34/568916734.db2.gz IKECEKKCLARJDO-AWEZNQCLSA-N 0 0 419.503 1.625 50 0 HDAARN CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nncn3CC)cc2)CC1 ZINC000083843671 568918341 /nfs/dbraw/zinc/91/83/41/568918341.db2.gz BAMWTAZCCGSGTO-UHFFFAOYSA-N 0 0 412.538 1.981 50 0 HDAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)NC[C@@H]1CCCO1 ZINC000004166524 568919172 /nfs/dbraw/zinc/91/91/72/568919172.db2.gz OYJNAFVQOGQRGP-ZDUSSCGKSA-N 0 0 402.455 1.796 50 0 HDAARN Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3cccnc3-n3cccn3)c(C)c12 ZINC000031226838 568919747 /nfs/dbraw/zinc/91/97/47/568919747.db2.gz YLEVSTORJFDMAH-UHFFFAOYSA-N 0 0 405.462 1.708 50 0 HDAARN COCCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000003660356 568923426 /nfs/dbraw/zinc/92/34/26/568923426.db2.gz VEGCDUNZAIOYCI-UHFFFAOYSA-N 0 0 424.457 1.277 50 0 HDAARN O=C(CNC(=O)c1ccc(Br)o1)NCc1cccnc1N1CCOCC1 ZINC000031327947 568923500 /nfs/dbraw/zinc/92/35/00/568923500.db2.gz HTTPLNBLBRJAJF-UHFFFAOYSA-N 0 0 423.267 1.320 50 0 HDAARN O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000031388101 568925084 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Cn1nnn(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)c1=O ZINC000077100110 571311204 /nfs/dbraw/zinc/31/12/04/571311204.db2.gz ANOMVWIBWDAFNU-UHFFFAOYSA-N 0 0 415.353 1.665 50 0 HDAARN COc1ccccc1-c1nc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)no1 ZINC000077199948 571312826 /nfs/dbraw/zinc/31/28/26/571312826.db2.gz JMWACXQQVTUQSG-UHFFFAOYSA-N 0 0 416.459 1.740 50 0 HDAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 ZINC000077200733 571313140 /nfs/dbraw/zinc/31/31/40/571313140.db2.gz DJNDVYZVGVAHHZ-KRWDZBQOSA-N 0 0 410.517 1.887 50 0 HDAARN Cc1cc(C)n(CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)n1 ZINC000077200955 571313304 /nfs/dbraw/zinc/31/33/04/571313304.db2.gz UUVCIWFJIYDWHQ-UHFFFAOYSA-N 0 0 412.537 1.408 50 0 HDAARN COc1cc(C=CC(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)ccc1OC(F)F ZINC000606443993 1075981858 /nfs/dbraw/zinc/98/18/58/1075981858.db2.gz SZYRDBOGVQQNKV-HYXAFXHYSA-N 0 0 421.404 1.736 50 0 HDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F ZINC000009569972 132234466 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400.479 1.206 50 0 HDAARN COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccn4)CC3)CC2=O)c1 ZINC000020744479 558409199 /nfs/dbraw/zinc/40/91/99/558409199.db2.gz DFBGEQMHTDHZAD-MRXNPFEDSA-N 0 0 408.458 1.428 50 0 HDAARN Cc1nn2c(NC(=O)CSCC(=O)Nc3ccccc3F)csc2nc1=O ZINC000020745313 558409903 /nfs/dbraw/zinc/40/99/03/558409903.db2.gz TZLGMKJLZSYTDH-UHFFFAOYSA-N 0 0 407.452 1.909 50 0 HDAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000020745554 558410307 /nfs/dbraw/zinc/41/03/07/558410307.db2.gz VPUMYMFKCOZXPG-MGPUTAFESA-N 0 0 418.469 1.346 50 0 HDAARN CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)C(C)C)CC1 ZINC000020745809 558410777 /nfs/dbraw/zinc/41/07/77/558410777.db2.gz LXFANRKMKMTABK-ROUUACIJSA-N 0 0 419.478 1.268 50 0 HDAARN COc1ccc(CNC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000020760731 558411220 /nfs/dbraw/zinc/41/12/20/558411220.db2.gz BWDISKIXUMRGFX-UHFFFAOYSA-N 0 0 413.430 1.747 50 0 biogenic HDAARN CCOC(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000012440328 558411456 /nfs/dbraw/zinc/41/14/56/558411456.db2.gz HWJUUARRTQBFHL-MRXNPFEDSA-N 0 0 402.495 1.600 50 0 HDAARN Cc1c(C(=O)N2CCC[C@H]2CO)sc2ncnc(NCCN3CCOCC3)c12 ZINC000020774704 558411819 /nfs/dbraw/zinc/41/18/19/558411819.db2.gz GIEKDBOFNHGWJK-AWEZNQCLSA-N 0 0 405.524 1.341 50 0 HDAARN O=C(c1cn(CCN2CCOCC2)nn1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000020781641 558412730 /nfs/dbraw/zinc/41/27/30/558412730.db2.gz OAZKAXMDAWVUBB-UHFFFAOYSA-N 0 0 410.478 1.771 50 0 HDAARN COc1ccc(CCNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)cc1 ZINC000020892407 558420011 /nfs/dbraw/zinc/42/00/11/558420011.db2.gz BJXAYDPIEVFXCF-UHFFFAOYSA-N 0 0 424.450 1.015 50 0 HDAARN COc1ccccc1[C@@H]1CCCN1C(=O)CCCn1nnnc1CN1CCOCC1 ZINC000020906435 558421167 /nfs/dbraw/zinc/42/11/67/558421167.db2.gz NJOIFXVRTMBEKG-SFHVURJKSA-N 0 0 414.510 1.658 50 0 HDAARN NC(=O)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004341338 558425016 /nfs/dbraw/zinc/42/50/16/558425016.db2.gz 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COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cscn2)c(F)c1 ZINC000012596590 558437982 /nfs/dbraw/zinc/43/79/82/558437982.db2.gz UCJWZWTVIAGKPP-KRWDZBQOSA-N 0 0 406.483 1.340 50 0 HDAARN CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000021580330 558442010 /nfs/dbraw/zinc/44/20/10/558442010.db2.gz AMPQBPJPZSSBBW-UHFFFAOYSA-N 0 0 415.400 1.388 50 0 HDAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000021598206 558442833 /nfs/dbraw/zinc/44/28/33/558442833.db2.gz QSMFBLJSFAJHEX-IAGOWNOFSA-N 0 0 408.520 1.684 50 0 HDAARN CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000021602205 558443021 /nfs/dbraw/zinc/44/30/21/558443021.db2.gz HMQATFHGNSXBNP-SNVBAGLBSA-N 0 0 414.256 1.345 50 0 HDAARN CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)[C@@H]2COc3ccccc3O2)o1 ZINC000005240475 558455320 /nfs/dbraw/zinc/45/53/20/558455320.db2.gz OXYDLCAGDHGGPM-AWEZNQCLSA-N 0 0 401.400 1.919 50 0 HDAARN Cc1cc(C(=O)Nc2cccc(-n3cnnn3)c2)cc(S(=O)(=O)N(C)C)c1C ZINC000022009346 558457538 /nfs/dbraw/zinc/45/75/38/558457538.db2.gz QBNYKLCCSAVOCF-UHFFFAOYSA-N 0 0 400.464 1.782 50 0 HDAARN O=C(CCn1c(=O)oc2ccccc21)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000012789627 558464657 /nfs/dbraw/zinc/46/46/57/558464657.db2.gz DKSZHQFBZGEMQK-UHFFFAOYSA-N 0 0 414.506 1.531 50 0 HDAARN Cn1c2ccccc2n(CC(=O)NCC(=O)Nc2ccccc2Br)c1=O ZINC000012794823 558467914 /nfs/dbraw/zinc/46/79/14/558467914.db2.gz ZOESTOKJUBGGNI-UHFFFAOYSA-N 0 0 417.263 1.857 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000012795101 558468142 /nfs/dbraw/zinc/46/81/42/558468142.db2.gz HLFCBORAKXOEKN-UHFFFAOYSA-N 0 0 417.491 1.425 50 0 HDAARN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1cccc(F)c1 ZINC000012801914 558472041 /nfs/dbraw/zinc/47/20/41/558472041.db2.gz KBPHGRMPCAGPOA-IBGZPJMESA-N 0 0 413.449 1.823 50 0 HDAARN CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000004373697 558474537 /nfs/dbraw/zinc/47/45/37/558474537.db2.gz WZKLWPXZOZYSPZ-AWEZNQCLSA-N 0 0 418.475 1.660 50 0 HDAARN O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21)NC[C@H]1CCCO1 ZINC000004376739 558476641 /nfs/dbraw/zinc/47/66/41/558476641.db2.gz JBRMJBNZCJZZBD-CYBMUJFWSA-N 0 0 413.459 1.907 50 0 HDAARN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCCc1nc2ccccc2[nH]1 ZINC000022315454 558477679 /nfs/dbraw/zinc/47/76/79/558477679.db2.gz FPJGDQYIJBPMIX-UHFFFAOYSA-N 0 0 415.471 1.857 50 0 HDAARN COC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)cc2C)n(C)c1=O ZINC000004370505 558479443 /nfs/dbraw/zinc/47/94/43/558479443.db2.gz XQCVBVWXBDMXHA-UHFFFAOYSA-N 0 0 409.446 1.545 50 0 HDAARN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc21 ZINC000012867075 558482079 /nfs/dbraw/zinc/48/20/79/558482079.db2.gz BEDSKCABWDHJJT-UHFFFAOYSA-N 0 0 415.515 1.500 50 0 HDAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000012887770 558483348 /nfs/dbraw/zinc/48/33/48/558483348.db2.gz NIHZMEIWABHSFL-MRXNPFEDSA-N 0 0 410.430 1.616 50 0 HDAARN COc1ccc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)cc1S(N)(=O)=O ZINC000022392565 558486225 /nfs/dbraw/zinc/48/62/25/558486225.db2.gz XZTYYGGDJXXCTN-UHFFFAOYSA-N 0 0 418.471 1.347 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000012927794 558486467 /nfs/dbraw/zinc/48/64/67/558486467.db2.gz FOYBTNAMUUPHSU-LBPRGKRZSA-N 0 0 419.463 1.500 50 0 HDAARN O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000004388253 558488074 /nfs/dbraw/zinc/48/80/74/558488074.db2.gz DYGACNZWDYIVKY-HNNXBMFYSA-N 0 0 418.548 1.754 50 0 HDAARN CCn1ncc(CN2CCN(C(=O)c3c(Br)c(C)nn3C)CC2)c1C ZINC000022418908 558488605 /nfs/dbraw/zinc/48/86/05/558488605.db2.gz KBIQCKCZNBKUDP-UHFFFAOYSA-N 0 0 409.332 1.974 50 0 HDAARN Nc1nc(COC(=O)[C@]23CCC(=O)N2CCS3)nc(Nc2ccc(F)cc2)n1 ZINC000012974461 558490625 /nfs/dbraw/zinc/49/06/25/558490625.db2.gz KRGKUWYVDVCZJV-QGZVFWFLSA-N 0 0 404.427 1.445 50 0 HDAARN CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3F)c2)CC1 ZINC000012976758 558491741 /nfs/dbraw/zinc/49/17/41/558491741.db2.gz CHIUJQBPZPDYAT-UHFFFAOYSA-N 0 0 421.494 1.571 50 0 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/nfs/dbraw/zinc/50/50/77/558505077.db2.gz QKMHLWIISOONRP-UHFFFAOYSA-N 0 0 421.500 1.007 50 0 HDAARN CCCN(C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000013039667 558506322 /nfs/dbraw/zinc/50/63/22/558506322.db2.gz LDSCAFGIBBFURC-WBVHZDCISA-N 0 0 421.519 1.578 50 0 HDAARN CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(CC(=O)NC3CC3)CC1)C2=O ZINC000022789920 558511895 /nfs/dbraw/zinc/51/18/95/558511895.db2.gz CREYJDMWZWMZNO-UHFFFAOYSA-N 0 0 419.570 1.367 50 0 HDAARN COc1ccc(CCNC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000022800673 558512965 /nfs/dbraw/zinc/51/29/65/558512965.db2.gz UMKBGQBSGJVTLV-UHFFFAOYSA-N 0 0 424.545 1.288 50 0 HDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(Cc3cccs3)CC1)C2=O ZINC000022807927 558513715 /nfs/dbraw/zinc/51/37/15/558513715.db2.gz ZXDZVPZZXGPJDJ-UHFFFAOYSA-N 0 0 419.551 1.398 50 0 HDAARN Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)no1 ZINC000022842025 558516351 /nfs/dbraw/zinc/51/63/51/558516351.db2.gz OFPUMWWFGBVPIZ-UHFFFAOYSA-N 0 0 415.498 1.489 50 0 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1.976 50 0 HDAARN CN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000021108723 568667813 /nfs/dbraw/zinc/66/78/13/568667813.db2.gz XZRKABZOZILCPM-UHFFFAOYSA-N 0 0 423.878 1.608 50 0 HDAARN CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000021108825 568667985 /nfs/dbraw/zinc/66/79/85/568667985.db2.gz YSICJSLPMICTQB-UHFFFAOYSA-N 0 0 423.878 1.608 50 0 HDAARN CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000021108848 568668116 /nfs/dbraw/zinc/66/81/16/568668116.db2.gz GPQXTLWJZGCJLD-UHFFFAOYSA-N 0 0 403.460 1.839 50 0 HDAARN Cc1nccn1CCCCN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000095972811 568671787 /nfs/dbraw/zinc/67/17/87/568671787.db2.gz ABNOTLCGJCKOEC-IBGZPJMESA-N 0 0 404.492 1.842 50 0 HDAARN Cc1noc(C)c1C[C@@H](C)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 ZINC000225761330 568672107 /nfs/dbraw/zinc/67/21/07/568672107.db2.gz LCLNPTZQZMWCQR-LLVKDONJSA-N 0 0 407.483 1.988 50 0 HDAARN CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000095983110 568675534 /nfs/dbraw/zinc/67/55/34/568675534.db2.gz WPHMWXSBNUWFOV-GDBMZVCRSA-N 0 0 411.503 1.323 50 0 HDAARN CCOC(=O)c1cccc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)n1 ZINC000095982867 568675656 /nfs/dbraw/zinc/67/56/56/568675656.db2.gz XUIIIUVPVIHXJQ-UHFFFAOYSA-N 0 0 405.476 1.778 50 0 HDAARN Cc1cc(CN(C)c2nc3c(c(N(C)Cc4cc(C)on4)n2)S(=O)(=O)CC3)no1 ZINC000225817271 568677115 /nfs/dbraw/zinc/67/71/15/568677115.db2.gz XBJFZEIIEJFRMI-UHFFFAOYSA-N 0 0 418.479 1.672 50 0 HDAARN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3nc4ccccc4n3)C2)ccc1-n1cnnn1 ZINC000021176674 568677358 /nfs/dbraw/zinc/67/73/58/568677358.db2.gz AEXROJRRJXUVJV-OAHLLOKOSA-N 0 0 424.490 1.741 50 0 HDAARN COc1ccc(C(=O)COC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(OC)c1 ZINC000095995839 568678651 /nfs/dbraw/zinc/67/86/51/568678651.db2.gz NNLBFOWWBBOPHC-CQSZACIVSA-N 0 0 424.450 1.589 50 0 HDAARN NC(=O)c1cccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)c1 ZINC000225833880 568679278 /nfs/dbraw/zinc/67/92/78/568679278.db2.gz XSAONTCOEBSVTJ-UHFFFAOYSA-N 0 0 422.406 1.558 50 0 HDAARN CCCCN(C(=O)c1cnc2c(c1)ncn2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000095997628 568679321 /nfs/dbraw/zinc/67/93/21/568679321.db2.gz HNJUQCKGMXOLDD-UHFFFAOYSA-N 0 0 413.482 1.503 50 0 HDAARN CCOCCO[C@@H](C)C(=O)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000095998371 568679574 /nfs/dbraw/zinc/67/95/74/568679574.db2.gz HMRJCPDOAGYVPG-ICSRJNTNSA-N 0 0 403.523 1.768 50 0 HDAARN Cn1cc(C(N)=O)cc1C(=O)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000095998361 568679580 /nfs/dbraw/zinc/67/95/80/568679580.db2.gz AGVVDXIDMWHLBG-GOSISDBHSA-N 0 0 409.490 1.077 50 0 HDAARN COc1ccccc1C(=O)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000095998337 568679676 /nfs/dbraw/zinc/67/96/76/568679676.db2.gz YZYIUWDTKQHPFQ-LJQANCHMSA-N 0 0 401.507 1.623 50 0 HDAARN O=C(CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)NCc1cccnc1 ZINC000095999715 568680727 /nfs/dbraw/zinc/68/07/27/568680727.db2.gz OHZIZQXZZAQVOW-NRFANRHFSA-N 0 0 407.518 1.511 50 0 HDAARN COCc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000096000575 568681113 /nfs/dbraw/zinc/68/11/13/568681113.db2.gz UBPLIENXHDCTCN-GFCCVEGCSA-N 0 0 407.370 1.997 50 0 HDAARN COc1ccc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)nn1 ZINC000096001389 568681378 /nfs/dbraw/zinc/68/13/78/568681378.db2.gz LVPRMFVMIDWQQR-LJQANCHMSA-N 0 0 409.490 1.434 50 0 HDAARN Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)c3ccccc3Cl)no2)cn1 ZINC000096001724 568681439 /nfs/dbraw/zinc/68/14/39/568681439.db2.gz IUEHUTNPXRIZHY-CYBMUJFWSA-N 0 0 409.855 1.886 50 0 HDAARN CC(C)Cn1cnnc1[C@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000096005476 568682610 /nfs/dbraw/zinc/68/26/10/568682610.db2.gz OYFYPMBYJVTRCH-QGZVFWFLSA-N 0 0 409.556 1.802 50 0 HDAARN COC(=O)c1cc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)cc(F)c1F ZINC000096006772 568682868 /nfs/dbraw/zinc/68/28/68/568682868.db2.gz ZLPOLWUYTOINJL-SMDDNHRTSA-N 0 0 403.403 1.510 50 0 HDAARN O=S(=O)(NCC[C@H](O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 ZINC000096026053 568686804 /nfs/dbraw/zinc/68/68/04/568686804.db2.gz MPIJTIRBOVDFCL-HNNXBMFYSA-N 0 0 407.444 1.979 50 0 HDAARN COc1ccc2cc(C(=O)N3CCC(S(=O)(=O)c4nncn4C)CC3)[nH]c2c1 ZINC000096099652 568690762 /nfs/dbraw/zinc/69/07/62/568690762.db2.gz MTIUCGDVKYQDDM-UHFFFAOYSA-N 0 0 403.464 1.384 50 0 HDAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096104192 568692145 /nfs/dbraw/zinc/69/21/45/568692145.db2.gz KSMVHFMNTMPMLN-UHFFFAOYSA-N 0 0 418.397 1.792 50 0 HDAARN CC(=O)N1CCc2nn(CC(=O)Nc3cccc(Br)c3)c(=O)cc2C1 ZINC000096105685 568693038 /nfs/dbraw/zinc/69/30/38/568693038.db2.gz VPWMDVFXDGNQGN-UHFFFAOYSA-N 0 0 405.252 1.549 50 0 HDAARN COC(=O)c1ccc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 ZINC000096115716 568695101 /nfs/dbraw/zinc/69/51/01/568695101.db2.gz KZVYSLREVISTLG-MRXNPFEDSA-N 0 0 401.415 1.821 50 0 biogenic HDAARN COC(=O)c1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 ZINC000096115715 568695118 /nfs/dbraw/zinc/69/51/18/568695118.db2.gz KZVYSLREVISTLG-INIZCTEOSA-N 0 0 401.415 1.821 50 0 biogenic HDAARN CCOC(=O)c1ccc(NC(=O)CNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012390768 568695155 /nfs/dbraw/zinc/69/51/55/568695155.db2.gz OPTLIKYZGGTFNA-UHFFFAOYSA-N 0 0 408.414 1.397 50 0 HDAARN CCOc1ccc(Br)cc1S(=O)(=O)NCCn1cncc(C)c1=O ZINC000096119201 568698903 /nfs/dbraw/zinc/69/89/03/568698903.db2.gz UGUHROBGWNSXLK-UHFFFAOYSA-N 0 0 416.297 1.691 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCC3CCOCC3)C2=O)cc1OC ZINC000096221121 568704971 /nfs/dbraw/zinc/70/49/71/568704971.db2.gz PTNSWONUITZOHD-INIZCTEOSA-N 0 0 419.478 1.447 50 0 biogenic HDAARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)NCCN1CCOCC1 ZINC000096223595 568706195 /nfs/dbraw/zinc/70/61/95/568706195.db2.gz BMIQQTYZERZJFQ-UHFFFAOYSA-N 0 0 401.442 1.004 50 0 HDAARN COc1ccc(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000096232176 568707688 /nfs/dbraw/zinc/70/76/88/568707688.db2.gz VTKWJTDTSSWDLD-OAHLLOKOSA-N 0 0 405.499 1.781 50 0 HDAARN O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1nc2ccccc2[nH]1 ZINC000096232053 568707722 /nfs/dbraw/zinc/70/77/22/568707722.db2.gz FCDWBJUAYCAZHW-SFHVURJKSA-N 0 0 405.458 1.775 50 0 HDAARN COc1ccc(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000096232177 568708064 /nfs/dbraw/zinc/70/80/64/568708064.db2.gz VTKWJTDTSSWDLD-HNNXBMFYSA-N 0 0 405.499 1.781 50 0 HDAARN C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(F)c1 ZINC000021528761 568710086 /nfs/dbraw/zinc/71/00/86/568710086.db2.gz CLALLIBCXAZMQF-FQEVSTJZSA-N 0 0 419.478 1.509 50 0 HDAARN CCOc1ccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)NCCCOC)n2)cc1 ZINC000021537516 568712761 /nfs/dbraw/zinc/71/27/61/568712761.db2.gz OQZZSTRMHGUFEG-UHFFFAOYSA-N 0 0 417.491 1.728 50 0 HDAARN CCNC(=O)CNC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000229749865 568715254 /nfs/dbraw/zinc/71/52/54/568715254.db2.gz ZPBJFKYBTDCBGU-SWLSCSKDSA-N 0 0 400.882 1.676 50 0 HDAARN NS(=O)(=O)c1ccc(CCNS(=O)(=O)CCCOc2ccc(F)cc2)cc1 ZINC000012440837 568723647 /nfs/dbraw/zinc/72/36/47/568723647.db2.gz RHFVRUKOEMETSW-UHFFFAOYSA-N 0 0 416.496 1.404 50 0 HDAARN CCOC(=O)c1noc2ncn(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c21 ZINC000021648297 568728712 /nfs/dbraw/zinc/72/87/12/568728712.db2.gz VLBHMQDZVRVMLM-UHFFFAOYSA-N 0 0 402.363 1.217 50 0 HDAARN O=C(Cn1nc2c3cc(-c4ccc(F)cc4)nn3ccn2c1=O)NCc1ccco1 ZINC000096322512 568730541 /nfs/dbraw/zinc/73/05/41/568730541.db2.gz SGOSQWASEVKISM-UHFFFAOYSA-N 0 0 406.377 1.859 50 0 HDAARN O=C(NCCc1cnn(-c2ccccc2)c1)C(=O)N1CCCN(C(=O)C2CC2)CC1 ZINC000241121729 568730567 /nfs/dbraw/zinc/73/05/67/568730567.db2.gz JDMSPJCIRCJGME-UHFFFAOYSA-N 0 0 409.490 1.002 50 0 HDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1C ZINC000096323314 568731644 /nfs/dbraw/zinc/73/16/44/568731644.db2.gz AOOHJLCVKBJAAQ-UHFFFAOYSA-N 0 0 420.491 1.395 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000096323286 568731675 /nfs/dbraw/zinc/73/16/75/568731675.db2.gz NKICPIAGDDHYPE-UHFFFAOYSA-N 0 0 410.471 1.088 50 0 HDAARN Cn1c2ccccc2nc1N1CCN(C(=O)Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000096344578 568737269 /nfs/dbraw/zinc/73/72/69/568737269.db2.gz VIWPAYZPSTYQMF-UHFFFAOYSA-N 0 0 406.490 1.358 50 0 HDAARN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)cc1 ZINC000096362817 568739286 /nfs/dbraw/zinc/73/92/86/568739286.db2.gz SBTPYUBYDMDZHU-SFHVURJKSA-N 0 0 405.476 1.869 50 0 HDAARN CC(C)Cn1c(N)c(C(=O)CNc2ccc3c(c2)OC(F)(F)O3)c(=O)n(C)c1=O ZINC000021700263 568741590 /nfs/dbraw/zinc/74/15/90/568741590.db2.gz ZVJCRMHEOFNXQE-UHFFFAOYSA-N 0 0 410.377 1.402 50 0 HDAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccn3)CC2)c1=O ZINC000096396720 568745265 /nfs/dbraw/zinc/74/52/65/568745265.db2.gz PRJKFWOAVWUBNC-UHFFFAOYSA-N 0 0 414.491 1.716 50 0 HDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCc1ccccc1 ZINC000021713835 568748745 /nfs/dbraw/zinc/74/87/45/568748745.db2.gz QQBKWYRLJJJBRI-UHFFFAOYSA-N 0 0 421.432 1.401 50 0 HDAARN Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400155 568749484 /nfs/dbraw/zinc/74/94/84/568749484.db2.gz ZFZTXLYVOSOAMG-UHFFFAOYSA-N 0 0 413.503 1.277 50 0 HDAARN COCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000021716181 568749779 /nfs/dbraw/zinc/74/97/79/568749779.db2.gz ZNQWRVOJMVNIGD-KRWDZBQOSA-N 0 0 423.535 1.149 50 0 HDAARN C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)C[C@H](C)O1 ZINC000019076857 568750274 /nfs/dbraw/zinc/75/02/74/568750274.db2.gz GIMFQYRVBHUSOB-SCRDCRAPSA-N 0 0 410.521 1.480 50 0 HDAARN Cc1ncnc(N2CCN(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)c1C ZINC000252488427 568752051 /nfs/dbraw/zinc/75/20/51/568752051.db2.gz IRQXTLURMPPEHF-GOSISDBHSA-N 0 0 401.511 1.160 50 0 HDAARN CN(C(=O)COC(=O)/C=C\c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096445496 568752689 /nfs/dbraw/zinc/75/26/89/568752689.db2.gz BSOJVSMIGFAEJL-HJHHMULASA-N 0 0 405.394 1.907 50 0 HDAARN Cc1ccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000021869815 568756121 /nfs/dbraw/zinc/75/61/21/568756121.db2.gz PYAWZIHTUVUYPA-FQEVSTJZSA-N 0 0 407.536 1.729 50 0 HDAARN CCOC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCOC)N(c1ccc(F)cc1)C2=O ZINC000021879430 568757149 /nfs/dbraw/zinc/75/71/49/568757149.db2.gz QEZSHOYPSFYACR-FQEVSTJZSA-N 0 0 418.425 1.381 50 0 HDAARN O=C(NC[C@H]1CCCO1)c1nnsc1NC(=O)N1CCN(c2ccccn2)CC1 ZINC000025184174 568759636 /nfs/dbraw/zinc/75/96/36/568759636.db2.gz IWFSNEFVQJYMRM-CYBMUJFWSA-N 0 0 417.495 1.196 50 0 HDAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCc1ccccc1 ZINC000021919596 568760561 /nfs/dbraw/zinc/76/05/61/568760561.db2.gz VROCXWFAFYTZAE-XMMPIXPASA-N 0 0 418.497 1.961 50 0 HDAARN O=C(NC[C@H]1CCCO1)c1ccc(CN2CCN(c3ccccc3)C(=O)C2=O)cc1 ZINC000021925877 568761197 /nfs/dbraw/zinc/76/11/97/568761197.db2.gz YRIPTEGVKGSIBY-HXUWFJFHSA-N 0 0 407.470 1.971 50 0 HDAARN CC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(I)cc2)CC1 ZINC000097055310 568767126 /nfs/dbraw/zinc/76/71/26/568767126.db2.gz OHNIHVINVMDMHG-NSHDSACASA-N 0 0 402.232 1.749 50 0 HDAARN O=S(=O)(c1c[nH]cn1)N1C[C@@H](c2nc(-c3cccnc3)no2)C2(C1)CCOCC2 ZINC000097077715 568767374 /nfs/dbraw/zinc/76/73/74/568767374.db2.gz MPXCFTYIEKLFQX-AWEZNQCLSA-N 0 0 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/nfs/dbraw/zinc/19/49/72/569194972.db2.gz QYIFTWOLWMBJQW-UHFFFAOYSA-N 0 0 405.414 1.595 50 0 HDAARN COc1ccc(-n2c3ncc(C(=O)NCc4cccnc4)cc3c(=O)n(C)c2=O)cc1 ZINC000065197179 569195084 /nfs/dbraw/zinc/19/50/84/569195084.db2.gz SFQANDUJXJGBQA-UHFFFAOYSA-N 0 0 417.425 1.418 50 0 HDAARN CCCN1c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202190 569195174 /nfs/dbraw/zinc/19/51/74/569195174.db2.gz JIOIAABTXKSRPD-KRWDZBQOSA-N 0 0 413.474 1.918 50 0 biogenic HDAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000007000138 569196927 /nfs/dbraw/zinc/19/69/27/569196927.db2.gz XBCOFTDTCMDHTA-FOIQADDNSA-N 0 0 421.519 1.054 50 0 HDAARN COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCOCC3)c2=O)cc1 ZINC000065212371 569197342 /nfs/dbraw/zinc/19/73/42/569197342.db2.gz XYYNJXYJZXYJQC-UHFFFAOYSA-N 0 0 400.435 1.668 50 0 HDAARN Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000008604236 569197915 /nfs/dbraw/zinc/19/79/15/569197915.db2.gz CFPWEHBCWHPZIA-UHFFFAOYSA-N 0 0 411.386 1.717 50 0 HDAARN O=C(C1CCN(c2cnc3nccnc3c2)CC1)N1CCN(c2ccccn2)CC1 ZINC000065227395 569200339 /nfs/dbraw/zinc/20/03/39/569200339.db2.gz ZLWRKJZPOLIULN-UHFFFAOYSA-N 0 0 403.490 1.985 50 0 HDAARN CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCCOC)CC3)ccc21 ZINC000008609385 569201382 /nfs/dbraw/zinc/20/13/82/569201382.db2.gz GPSMDTLSROENGE-UHFFFAOYSA-N 0 0 408.524 1.714 50 0 HDAARN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C1)C(=O)N2 ZINC000065248996 569205800 /nfs/dbraw/zinc/20/58/00/569205800.db2.gz KAFUECQQSSXFRK-FQEVSTJZSA-N 0 0 418.471 1.997 50 0 HDAARN Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036615106 569206931 /nfs/dbraw/zinc/20/69/31/569206931.db2.gz ITDYGFBWGKYGHR-UHFFFAOYSA-N 0 0 402.398 1.872 50 0 HDAARN O=C(NCc1cc(F)cc(F)c1)c1ccc2c(c1)nnn2CCN1CCOCC1 ZINC000065255171 569207582 /nfs/dbraw/zinc/20/75/82/569207582.db2.gz DKXQDGMPBGSFPK-UHFFFAOYSA-N 0 0 401.417 1.972 50 0 HDAARN O=C1NCCCn2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000065258612 569210357 /nfs/dbraw/zinc/21/03/57/569210357.db2.gz RWPIZYWDYKYBQK-UHFFFAOYSA-N 0 0 408.911 1.786 50 0 HDAARN CCN1CCCn2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2C1=O ZINC000065258758 569210572 /nfs/dbraw/zinc/21/05/72/569210572.db2.gz WKYDQWCTKVQWOE-UHFFFAOYSA-N 0 0 403.508 1.260 50 0 HDAARN CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1 ZINC000007046676 569211084 /nfs/dbraw/zinc/21/10/84/569211084.db2.gz WYHKHUCNWJVFOJ-UHFFFAOYSA-N 0 0 407.492 1.585 50 0 HDAARN CN1CCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)CC1 ZINC000524734179 569213359 /nfs/dbraw/zinc/21/33/59/569213359.db2.gz FTZLGPFWEQVRSF-OAQYLSRUSA-N 0 0 404.470 1.966 50 0 HDAARN CSCC[C@H](NC(=O)COc1cn(C)c(C)cc1=O)c1nnc2ccccn21 ZINC000524733543 569213780 /nfs/dbraw/zinc/21/37/80/569213780.db2.gz UPLWGPZDEBWOFN-AWEZNQCLSA-N 0 0 401.492 1.726 50 0 HDAARN CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)N2CCN(C)CC2)CC3)CC1 ZINC000065273779 569214741 /nfs/dbraw/zinc/21/47/41/569214741.db2.gz AEGQWFDEUFGUBI-HNNXBMFYSA-N 0 0 405.568 1.081 50 0 HDAARN CCCc1ccc(S(=O)(=O)N2CCN(c3cnn4c(C)nnc4c3)CC2)cc1 ZINC000065282415 569216343 /nfs/dbraw/zinc/21/63/43/569216343.db2.gz CGKKSTFDRQTDBT-UHFFFAOYSA-N 0 0 400.508 1.896 50 0 HDAARN CCc1ccccc1-n1c(SCC(=O)NC(=O)NC)nnc1N1CCOCC1 ZINC000007072955 569217697 /nfs/dbraw/zinc/21/76/97/569217697.db2.gz GRLOXRJBZKHWDU-UHFFFAOYSA-N 0 0 404.496 1.214 50 0 HDAARN COc1cccc(CNC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)c1 ZINC000065304985 569220394 /nfs/dbraw/zinc/22/03/94/569220394.db2.gz DIOKVEZVTAATRH-UHFFFAOYSA-N 0 0 421.494 1.903 50 0 HDAARN CC(=O)N1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)CC1 ZINC000065311493 569221437 /nfs/dbraw/zinc/22/14/37/569221437.db2.gz CWAQBJKFUOFKOD-UHFFFAOYSA-N 0 0 423.517 1.199 50 0 HDAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4cnn(C)c(=O)c4)C3)CC2)c1 ZINC000065313705 569222869 /nfs/dbraw/zinc/22/28/69/569222869.db2.gz DBGJZBJWWNTNDR-KRWDZBQOSA-N 0 0 411.506 1.354 50 0 HDAARN O=C(NCc1cnccn1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314126 569223195 /nfs/dbraw/zinc/22/31/95/569223195.db2.gz MRHFEYAPKWEOMF-GOSISDBHSA-N 0 0 404.474 1.614 50 0 HDAARN Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000065329472 569224865 /nfs/dbraw/zinc/22/48/65/569224865.db2.gz YQHUKXDPCXUJPA-UHFFFAOYSA-N 0 0 410.430 1.522 50 0 HDAARN O=C(NCc1nnc2ccc(-c3cccs3)nn21)c1cccc(-n2cnnn2)c1 ZINC000238869941 569226729 /nfs/dbraw/zinc/22/67/29/569226729.db2.gz MQQJYAUBEUMSHV-UHFFFAOYSA-N 0 0 403.431 1.759 50 0 HDAARN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)NC(=O)NC1CCCC1 ZINC000007190631 569227987 /nfs/dbraw/zinc/22/79/87/569227987.db2.gz SXFJRDCFYNLRNW-NSHDSACASA-N 0 0 400.526 1.581 50 0 HDAARN C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1)C(=O)N1CCNC1=O ZINC000007190301 569227996 /nfs/dbraw/zinc/22/79/96/569227996.db2.gz BKMROXXSCUJZDK-CYBMUJFWSA-N 0 0 412.537 1.679 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)COCCOC)c1 ZINC000036797733 569228565 /nfs/dbraw/zinc/22/85/65/569228565.db2.gz GINBQENCNHILCP-UHFFFAOYSA-N 0 0 413.540 1.919 50 0 HDAARN C[C@@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007233171 569229848 /nfs/dbraw/zinc/22/98/48/569229848.db2.gz QPLCSTADJHOGOY-NEPJUHHUSA-N 0 0 410.423 1.811 50 0 HDAARN COc1ccc(C2=N/C(=C\c3cc(OC)c(OCC(N)=O)c(OC)c3)C(=O)O2)cc1 ZINC000007351484 569234869 /nfs/dbraw/zinc/23/48/69/569234869.db2.gz LQNSYVSWGQFGHB-NVNXTCNLSA-N 0 0 412.398 1.921 50 0 HDAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000007362137 569235311 /nfs/dbraw/zinc/23/53/11/569235311.db2.gz IGNZPWLPLFLAFK-XJKSGUPXSA-N 0 0 420.560 1.988 50 0 HDAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000065587901 569236631 /nfs/dbraw/zinc/23/66/31/569236631.db2.gz AHTKQAUBFKCDJL-CQSZACIVSA-N 0 0 412.471 1.570 50 0 HDAARN C[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc2c(c1)CCC(=O)N2 ZINC000065607064 569237321 /nfs/dbraw/zinc/23/73/21/569237321.db2.gz SPIHPGJQJAEQJF-NSHDSACASA-N 0 0 407.430 1.008 50 0 HDAARN CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 ZINC000007425892 569238280 /nfs/dbraw/zinc/23/82/80/569238280.db2.gz OQNUKXJYAJVHSW-ZIAGYGMSSA-N 0 0 401.467 1.382 50 0 HDAARN CC[C@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000007425741 569238310 /nfs/dbraw/zinc/23/83/10/569238310.db2.gz XHEMEPJWBLLQPT-LSDHHAIUSA-N 0 0 415.494 1.690 50 0 HDAARN NS(=O)(=O)c1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000007476881 569240359 /nfs/dbraw/zinc/24/03/59/569240359.db2.gz SPXWOGAQSXGEDN-UHFFFAOYSA-N 0 0 405.520 1.995 50 0 HDAARN C[C@H](Cn1cncn1)NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000170593701 569241056 /nfs/dbraw/zinc/24/10/56/569241056.db2.gz BHHCNDWKKPTFCU-CJNGLKHVSA-N 0 0 411.915 1.544 50 0 HDAARN CCC(=O)NCC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608642 569245148 /nfs/dbraw/zinc/24/51/48/569245148.db2.gz IIGAJAPAMDLMCS-MAUKXSAKSA-N 0 0 403.479 1.313 50 0 HDAARN COCCOCCC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608632 569245183 /nfs/dbraw/zinc/24/51/83/569245183.db2.gz 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560894960 /nfs/dbraw/zinc/89/49/60/560894960.db2.gz NBJXMNPAPAOITN-UHFFFAOYSA-N 0 0 406.508 1.971 50 0 HDAARN Cc1nn(CC(=O)NC[C@@H]2CCCO2)c(=O)c2c1cnn2-c1cccc(Cl)c1 ZINC000012228135 560895475 /nfs/dbraw/zinc/89/54/75/560895475.db2.gz QLQIPRMJNCCVQY-HNNXBMFYSA-N 0 0 401.854 1.839 50 0 HDAARN CC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)C1=O ZINC000108964754 568420464 /nfs/dbraw/zinc/42/04/64/568420464.db2.gz AOBCLGWPXHQIFT-YWZLYKJASA-N 0 0 404.467 1.592 50 0 HDAARN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000109047785 568420919 /nfs/dbraw/zinc/42/09/19/568420919.db2.gz WCEHUMBHGZCJFN-IRXDYDNUSA-N 0 0 408.568 1.719 50 0 HDAARN O=C(Nc1ccc(N2CCCC2)nc1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000048086400 568431965 /nfs/dbraw/zinc/43/19/65/568431965.db2.gz ZQYSYEXSRGWLQR-UHFFFAOYSA-N 0 0 416.507 1.615 50 0 HDAARN CSc1nc2nc(C)c(CC(=O)NCc3cccnc3-n3cccn3)c(C)n2n1 ZINC000048273766 568434050 /nfs/dbraw/zinc/43/40/50/568434050.db2.gz BSEIZCWSHIOVAC-UHFFFAOYSA-N 0 0 408.491 1.903 50 0 HDAARN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1 ZINC000048326050 568438852 /nfs/dbraw/zinc/43/88/52/568438852.db2.gz JSGPFZBJQBNMKF-OAHLLOKOSA-N 0 0 413.565 1.522 50 0 HDAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3ccc(C)cc3c(=O)n2C)C1=O ZINC000048344570 568440955 /nfs/dbraw/zinc/44/09/55/568440955.db2.gz FEYJXOLHTYFCGO-SFHVURJKSA-N 0 0 403.464 1.086 50 0 HDAARN Cn1nc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)ccc1=O ZINC000048375231 568442328 /nfs/dbraw/zinc/44/23/28/568442328.db2.gz QCARJULOCZRISP-UHFFFAOYSA-N 0 0 419.488 1.427 50 0 HDAARN O=C(c1nnc(-c2cc(S(=O)(=O)NCc3cccs3)c[nH]2)o1)N1CCCC1 ZINC000085808874 568442469 /nfs/dbraw/zinc/44/24/69/568442469.db2.gz QMRURYUTIWDENH-UHFFFAOYSA-N 0 0 407.477 1.841 50 0 HDAARN CC(C)NC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000048812364 568443503 /nfs/dbraw/zinc/44/35/03/568443503.db2.gz IICYALUZTFNCMT-UHFFFAOYSA-N 0 0 404.330 1.280 50 0 HDAARN O=c1n2cccc(S(=O)(=O)N3CCCCC3)c2nn1Cc1ccc2c(c1)OCO2 ZINC000049006280 568444691 /nfs/dbraw/zinc/44/46/91/568444691.db2.gz PTQPDQOHYAPGKD-UHFFFAOYSA-N 0 0 416.459 1.448 50 0 HDAARN COC(=O)c1ccccc1NC(=O)Cn1nc2ccc(-c3ccccc3)nn2c1=O ZINC000049009298 568445421 /nfs/dbraw/zinc/44/54/21/568445421.db2.gz AGQRYKZPEJMZCM-UHFFFAOYSA-N 0 0 403.398 1.983 50 0 HDAARN CC(=O)N[C@@H](CC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)c1ccc(C)cc1 ZINC000049015408 568445453 /nfs/dbraw/zinc/44/54/53/568445453.db2.gz CZMLLJAIZAQEEP-FQEVSTJZSA-N 0 0 411.506 1.717 50 0 HDAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCN(c2ccccn2)CC1 ZINC000049026311 568445560 /nfs/dbraw/zinc/44/55/60/568445560.db2.gz YDPCNAOXOWVQFP-UHFFFAOYSA-N 0 0 401.417 1.951 50 0 HDAARN O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCN(c2ncccn2)CC1 ZINC000049026220 568445607 /nfs/dbraw/zinc/44/56/07/568445607.db2.gz IUZNPMGONPLMGP-UHFFFAOYSA-N 0 0 400.870 1.721 50 0 HDAARN Cn1ncc2c1ncn(CCC(=O)NCCC(=O)N1CCCc3ccccc31)c2=O ZINC000049385725 568447092 /nfs/dbraw/zinc/44/70/92/568447092.db2.gz DHUQWKUFUCMWCW-UHFFFAOYSA-N 0 0 408.462 1.006 50 0 HDAARN C[C@H]1CCCN(c2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)nc23)C1 ZINC000049399859 568447498 /nfs/dbraw/zinc/44/74/98/568447498.db2.gz LPFDZWMFNQMVLL-ZDUSSCGKSA-N 0 0 410.434 1.495 50 0 HDAARN O=C(Cn1nc2c(N3CCOCC3)nccn2c1=O)Nc1ccc(Cl)cc1F ZINC000049399957 568447528 /nfs/dbraw/zinc/44/75/28/568447528.db2.gz CQYIVBLUWXTGAU-UHFFFAOYSA-N 0 0 406.805 1.159 50 0 HDAARN COc1ccc(NC(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 ZINC000049401570 568447911 /nfs/dbraw/zinc/44/79/11/568447911.db2.gz HVCPMIZPLQIPFV-UHFFFAOYSA-N 0 0 422.445 1.875 50 0 HDAARN CCOc1ccc(N2CCN(CC(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000049386561 568448921 /nfs/dbraw/zinc/44/89/21/568448921.db2.gz RGKBPZNCULIHCS-UHFFFAOYSA-N 0 0 410.478 1.466 50 0 HDAARN COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1 ZINC000049409095 568449563 /nfs/dbraw/zinc/44/95/63/568449563.db2.gz WOXYHOPLLYNNHC-UHFFFAOYSA-N 0 0 419.503 1.916 50 0 HDAARN O=C(Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O)Nc1ccccc1Cl ZINC000049409361 568449679 /nfs/dbraw/zinc/44/96/79/568449679.db2.gz TVIJAYLVAZUSDP-UHFFFAOYSA-N 0 0 411.867 1.161 50 0 HDAARN CCOC(=O)C1CCN(C(=O)c2snc3c2[nH]c(=O)n(CC(C)C)c3=O)CC1 ZINC000049409897 568449795 /nfs/dbraw/zinc/44/97/95/568449795.db2.gz DFDAKPNMSDMXLA-UHFFFAOYSA-N 0 0 408.480 1.218 50 0 HDAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2cc(N3CCOCC3)ncn2)cn1 ZINC000049411274 568450046 /nfs/dbraw/zinc/45/00/46/568450046.db2.gz KALDYWQFPGEWKK-UHFFFAOYSA-N 0 0 408.418 1.522 50 0 HDAARN COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000049421686 568450693 /nfs/dbraw/zinc/45/06/93/568450693.db2.gz VLNXIHSKUMSQAG-UHFFFAOYSA-N 0 0 417.418 1.863 50 0 HDAARN O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049484845 568450897 /nfs/dbraw/zinc/45/08/97/568450897.db2.gz ASPGIRNGGQRHET-UHFFFAOYSA-N 0 0 401.404 1.086 50 0 HDAARN COc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)cc1 ZINC000049547536 568451614 /nfs/dbraw/zinc/45/16/14/568451614.db2.gz UTPXRUIWHGHRCW-UHFFFAOYSA-N 0 0 411.393 1.497 50 0 HDAARN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000049693968 568453209 /nfs/dbraw/zinc/45/32/09/568453209.db2.gz NOPRSQXXBNLUJW-HBIYDYFMSA-N 0 0 410.540 1.975 50 0 HDAARN O=C(NCc1ccc2c(c1)OCO2)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000012234298 568454878 /nfs/dbraw/zinc/45/48/78/568454878.db2.gz OJGVZEQAAPVUHO-UHFFFAOYSA-N 0 0 409.377 1.588 50 0 HDAARN O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000012234658 568455010 /nfs/dbraw/zinc/45/50/10/568455010.db2.gz ZUAUOCAJQRELSW-LBPRGKRZSA-N 0 0 407.383 1.656 50 0 HDAARN O=C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCc1c[nH]c2ccccc12 ZINC000012296678 568462796 /nfs/dbraw/zinc/46/27/96/568462796.db2.gz AJMMGZWZRHGGTJ-UHFFFAOYSA-N 0 0 403.442 1.422 50 0 biogenic HDAARN NC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(OC(F)(F)Cl)cc3)C2=O)CC1 ZINC000000709565 568463602 /nfs/dbraw/zinc/46/36/02/568463602.db2.gz ACQPXTLTXSMPNC-ZDUSSCGKSA-N 0 0 401.797 1.684 50 0 HDAARN NC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000000784194 568476823 /nfs/dbraw/zinc/47/68/23/568476823.db2.gz UIJJBXGYJPTMKT-UHFFFAOYSA-N 0 0 419.478 1.745 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000008133912 568491380 /nfs/dbraw/zinc/49/13/80/568491380.db2.gz CAMOLEIYPNTFFQ-UHFFFAOYSA-N 0 0 418.475 1.967 50 0 HDAARN COc1cc([C@@H](CC(=O)NCCn2cccn2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604404851 568492425 /nfs/dbraw/zinc/49/24/25/568492425.db2.gz HCROSEDKRWRVQD-OAHLLOKOSA-N 0 0 413.430 1.903 50 0 biogenic HDAARN COc1ccccc1N1C[C@H](C(=O)NCCn2cnc3ccccc3c2=O)CC1=O ZINC000604418465 568492849 /nfs/dbraw/zinc/49/28/49/568492849.db2.gz NBCQPKCJLOCCJS-OAHLLOKOSA-N 0 0 406.442 1.574 50 0 HDAARN Cc1noc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604418877 568492975 /nfs/dbraw/zinc/49/29/75/568492975.db2.gz LJMUWIYIWQLAHF-IBGZPJMESA-N 0 0 403.398 1.809 50 0 HDAARN CCOc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000000811810 568493363 /nfs/dbraw/zinc/49/33/63/568493363.db2.gz KWMFZUBUDRJPFK-UHFFFAOYSA-N 0 0 406.460 1.896 50 0 HDAARN COc1nn(C)cc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 ZINC000390830556 568495140 /nfs/dbraw/zinc/49/51/40/568495140.db2.gz LTRCWPSLQCFIRQ-UHFFFAOYSA-N 0 0 405.480 1.235 50 0 HDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)NC(=O)N[C@H]1C ZINC000008275130 568495916 /nfs/dbraw/zinc/49/59/16/568495916.db2.gz DQYKZKQIEQLHPW-ZFWWWQNUSA-N 0 0 415.446 1.097 50 0 HDAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)NC4CCCC4)C3)cc2NC1=O ZINC000033021472 568510411 /nfs/dbraw/zinc/51/04/11/568510411.db2.gz FNOWAVYFIBDZQC-UONOGXRCSA-N 0 0 421.519 1.866 50 0 HDAARN CCn1c(=O)c(N2CCC(C(=O)NCCCOC(C)C)CC2)nc2cccnc21 ZINC000033258949 568512806 /nfs/dbraw/zinc/51/28/06/568512806.db2.gz FLQJHRODIBBBFB-UHFFFAOYSA-N 0 0 401.511 1.959 50 0 HDAARN CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(C)C(=S)N1C ZINC000033343134 568514175 /nfs/dbraw/zinc/51/41/75/568514175.db2.gz FGWUXAUWGFLDJY-MCOFMCJXSA-N 0 0 418.569 1.034 50 0 HDAARN CNC(=O)[C@H](C)CN(C)c1nc(N(C)C[C@H](C)C(=O)NC)nc2ccc(Cl)cc21 ZINC000222284035 568514546 /nfs/dbraw/zinc/51/45/46/568514546.db2.gz HGEQYTVEDWVAJC-OLZOCXBDSA-N 0 0 420.945 1.920 50 0 HDAARN COC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000223220916 568541398 /nfs/dbraw/zinc/54/13/98/568541398.db2.gz MYMQECMQSQCWOW-QGZVFWFLSA-N 0 0 401.463 1.689 50 0 HDAARN Cc1cc(N2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000027375124 568568346 /nfs/dbraw/zinc/56/83/46/568568346.db2.gz VQMUUQAAQCAKIX-UHFFFAOYSA-N 0 0 419.551 1.757 50 0 HDAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc2c(c1)OCCO2 ZINC000390825951 568591027 /nfs/dbraw/zinc/59/10/27/568591027.db2.gz STGLQUKOJVHCGE-AWEZNQCLSA-N 0 0 406.822 1.908 50 0 HDAARN Cc1cc(=O)n2[n-]c(N3CCN(C(=O)CCC(=O)c4ccc(F)cc4)CC3)nc2n1 ZINC000390828273 568591631 /nfs/dbraw/zinc/59/16/31/568591631.db2.gz PQSKQENZTPBQPH-UHFFFAOYSA-N 0 0 412.425 1.177 50 0 HDAARN O=C(c1cnn(-c2ccccc2)n1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390831076 568592318 /nfs/dbraw/zinc/59/23/18/568592318.db2.gz PMFFWNNMQJWLSP-UHFFFAOYSA-N 0 0 407.459 1.911 50 0 HDAARN CC[C@H](C(=O)Nc1cc(OC)ccc1OC)n1nnc(C(=O)OC)c1C(=O)OC ZINC000020182518 568593345 /nfs/dbraw/zinc/59/33/45/568593345.db2.gz QOXGDDCOMHCPIS-GFCCVEGCSA-N 0 0 406.395 1.458 50 0 HDAARN CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)[C@@H]2COc3ccccc3O2)C(C)C)CC1 ZINC000094992917 568593521 /nfs/dbraw/zinc/59/35/21/568593521.db2.gz LXFANRKMKMTABK-ZWKOTPCHSA-N 0 0 419.478 1.268 50 0 HDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213980 568594326 /nfs/dbraw/zinc/59/43/26/568594326.db2.gz WOCMEOFDFIFEKU-QGZVFWFLSA-N 0 0 420.897 1.708 50 0 HDAARN CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCC(OC)OC)c3C2=O)CC1 ZINC000020216305 568594773 /nfs/dbraw/zinc/59/47/73/568594773.db2.gz ZHFDXAHPYBDHJZ-UHFFFAOYSA-N 0 0 419.478 1.612 50 0 HDAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000095348708 568600158 /nfs/dbraw/zinc/60/01/58/568600158.db2.gz QECUFEAOIZZPTL-UHFFFAOYSA-N 0 0 408.458 1.575 50 0 HDAARN C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000080338609 568602396 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C[C@H](CNC(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1)S(N)(=O)=O ZINC000095454926 568616779 /nfs/dbraw/zinc/61/67/79/568616779.db2.gz WRPVJKUMDZTJKD-CQSZACIVSA-N 0 0 404.492 1.691 50 0 HDAARN CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000095461042 568620452 /nfs/dbraw/zinc/62/04/52/568620452.db2.gz YQCLRHNJVKAGJH-KRWDZBQOSA-N 0 0 408.524 1.759 50 0 HDAARN Cc1nnc(CNC(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)n1C1CC1 ZINC000095467848 568624825 /nfs/dbraw/zinc/62/48/25/568624825.db2.gz IGMCRRRLBWLVMM-ROUUACIJSA-N 0 0 420.473 1.812 50 0 HDAARN Cc1nnc(CNC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)n1C1CC1 ZINC000095467849 568624927 /nfs/dbraw/zinc/62/49/27/568624927.db2.gz IGMCRRRLBWLVMM-QZTJIDSGSA-N 0 0 420.473 1.812 50 0 HDAARN CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2=O)cc1 ZINC000095469076 568625364 /nfs/dbraw/zinc/62/53/64/568625364.db2.gz DYTPSYKNZMIVFF-APWZRJJASA-N 0 0 421.563 1.615 50 0 HDAARN 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568955645 /nfs/dbraw/zinc/95/56/45/568955645.db2.gz WCNBTNSINPOPFI-NSHDSACASA-N 0 0 417.940 1.916 50 0 HDAARN CNS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000012778101 568955973 /nfs/dbraw/zinc/95/59/73/568955973.db2.gz SJWSELQSDAKYMX-UHFFFAOYSA-N 0 0 413.381 1.586 50 0 HDAARN CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000012778485 568956151 /nfs/dbraw/zinc/95/61/51/568956151.db2.gz BMKZAERESRKJQI-QGZVFWFLSA-N 0 0 419.503 1.717 50 0 HDAARN O=C1NC2(CCCCCC2)C(=O)N1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000004287924 568959433 /nfs/dbraw/zinc/95/94/33/568959433.db2.gz XHRACQRSWUKMAM-UHFFFAOYSA-N 0 0 421.519 1.852 50 0 HDAARN O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)NCc1ccc2c(c1)OCO2 ZINC000015669707 568961168 /nfs/dbraw/zinc/96/11/68/568961168.db2.gz IHARZZAEVMFZDC-UHFFFAOYSA-N 0 0 421.409 1.727 50 0 HDAARN Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000015674751 568963063 /nfs/dbraw/zinc/96/30/63/568963063.db2.gz FZDDKZVCNGHQKQ-UHFFFAOYSA-N 0 0 416.547 1.768 50 0 HDAARN COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000007985665 568964485 /nfs/dbraw/zinc/96/44/85/568964485.db2.gz OFOZNCKLJBGXCX-UHFFFAOYSA-N 0 0 419.455 1.858 50 0 HDAARN O=C(Cn1nnc(-c2ccsc2)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000008000245 568967559 /nfs/dbraw/zinc/96/75/59/568967559.db2.gz SYEMRTCYFNFXFU-INIZCTEOSA-N 0 0 417.516 1.618 50 0 HDAARN Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)[nH]n1 ZINC000015680604 568967650 /nfs/dbraw/zinc/96/76/50/568967650.db2.gz ANLRCBJGPZZRTF-UHFFFAOYSA-N 0 0 419.326 1.689 50 0 HDAARN Cc1cc(C(=O)[C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccco1 ZINC000008012079 568968114 /nfs/dbraw/zinc/96/81/14/568968114.db2.gz JFXNDVPDHNFEJT-CQSZACIVSA-N 0 0 409.446 1.937 50 0 HDAARN COc1cccc(NC(=O)CN(C)CC(=O)NCC(=O)Nc2ccc(F)cc2)c1 ZINC000008036872 568969846 /nfs/dbraw/zinc/96/98/46/568969846.db2.gz TVZVFOQJMBUMBF-UHFFFAOYSA-N 0 0 402.426 1.460 50 0 HDAARN O=C(CN1CCSC1=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000008132909 568975987 /nfs/dbraw/zinc/97/59/87/568975987.db2.gz HVUTYYJPDXUGHX-UHFFFAOYSA-N 0 0 410.455 1.682 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccccc2)CC1 ZINC000008133767 568976626 /nfs/dbraw/zinc/97/66/26/568976626.db2.gz PYGCONQFVXMMKC-UHFFFAOYSA-N 0 0 415.475 1.624 50 0 HDAARN CCCCc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 ZINC000004303859 568977200 /nfs/dbraw/zinc/97/72/00/568977200.db2.gz MZBHZBULXUNISO-UHFFFAOYSA-N 0 0 423.473 1.963 50 0 HDAARN Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C ZINC000004308906 568978007 /nfs/dbraw/zinc/97/80/07/568978007.db2.gz LBRGSPZGFRWORK-SZNDQCEHSA-N 0 0 400.479 1.859 50 0 HDAARN O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008161854 568979166 /nfs/dbraw/zinc/97/91/66/568979166.db2.gz KBOCMTXOWWUGNT-UHFFFAOYSA-N 0 0 415.475 1.691 50 0 HDAARN CCCn1nccc1S(=O)(=O)NCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000670469570 568979493 /nfs/dbraw/zinc/97/94/93/568979493.db2.gz LALJGTXGDCNAGO-UHFFFAOYSA-N 0 0 400.526 1.248 50 0 HDAARN COc1ccc(N2C(=O)C[C@H](Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl ZINC000008165113 568979602 /nfs/dbraw/zinc/97/96/02/568979602.db2.gz VCQFQSJERWZLHP-AWEZNQCLSA-N 0 0 409.851 1.740 50 0 HDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1nc(-c2cccs2)oc1=O ZINC000008184976 568980343 /nfs/dbraw/zinc/98/03/43/568980343.db2.gz KGOSQXUIXAIZJB-UHFFFAOYSA-N 0 0 411.443 1.850 50 0 HDAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCCN1CCOCC1 ZINC000015731255 568981679 /nfs/dbraw/zinc/98/16/79/568981679.db2.gz PPMGKTYYARCSRO-UHFFFAOYSA-N 0 0 409.508 1.968 50 0 HDAARN CCOCCc1nn2c(nc(COC(=O)COc3ccc(OC)cc3)cc2=O)s1 ZINC000015734321 568983625 /nfs/dbraw/zinc/98/36/25/568983625.db2.gz KCTTYKUPDNREFO-UHFFFAOYSA-N 0 0 419.459 1.861 50 0 HDAARN CCN1CCN(C(=O)CCc2c(C)nn(-c3ccc(N4CCCC4)nn3)c2C)CC1 ZINC000015734399 568983633 /nfs/dbraw/zinc/98/36/33/568983633.db2.gz ANKUGBYICXJWQW-UHFFFAOYSA-N 0 0 411.554 1.976 50 0 HDAARN O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cn2ccnn2)CC1 ZINC000012810826 568984899 /nfs/dbraw/zinc/98/48/99/568984899.db2.gz QOWONHGUNPHUGD-UHFFFAOYSA-N 0 0 420.720 1.658 50 0 HDAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1NC(=O)C[C@H]1C ZINC000012812313 568986714 /nfs/dbraw/zinc/98/67/14/568986714.db2.gz ZKCUUFWRTZNOPB-CQSZACIVSA-N 0 0 424.523 1.324 50 0 HDAARN COC(=O)c1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000008313750 568989424 /nfs/dbraw/zinc/98/94/24/568989424.db2.gz XQPPYDQVJNZSHV-UHFFFAOYSA-N 0 0 418.471 1.853 50 0 HDAARN Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1C ZINC000008314148 568989614 /nfs/dbraw/zinc/98/96/14/568989614.db2.gz MJXRKZOFLACXAO-QHCPKHFHSA-N 0 0 420.469 1.752 50 0 HDAARN C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O ZINC000008316315 568990326 /nfs/dbraw/zinc/99/03/26/568990326.db2.gz AGYXNEBTSBYMMK-IBGZPJMESA-N 0 0 416.459 1.093 50 0 HDAARN COc1ccc(CNC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 ZINC000015766997 568993478 /nfs/dbraw/zinc/99/34/78/568993478.db2.gz DKZASIBGZGTQEE-UHFFFAOYSA-N 0 0 406.508 1.629 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccccc2)cc1 ZINC000006079377 568994144 /nfs/dbraw/zinc/99/41/44/568994144.db2.gz YMMRJDOWKHYWBB-UHFFFAOYSA-N 0 0 404.444 1.740 50 0 HDAARN CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)NC(=O)N[C@H]1C ZINC000008344467 568994174 /nfs/dbraw/zinc/99/41/74/568994174.db2.gz PZTNQMFEIGSVOY-RYUDHWBXSA-N 0 0 419.409 1.240 50 0 HDAARN O=C(Cn1cnc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCc2ccccc21 ZINC000015767499 568995577 /nfs/dbraw/zinc/99/55/77/568995577.db2.gz DOBPQQCJSGMHJE-QGZVFWFLSA-N 0 0 404.492 1.098 50 0 HDAARN O=C(c1cncn1-c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000008388629 568996271 /nfs/dbraw/zinc/99/62/71/568996271.db2.gz ZIZVAJDXLSPGMX-OAQYLSRUSA-N 0 0 418.453 1.997 50 0 HDAARN CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)N3CCOCC3)cn(C)c2=O)cc1 ZINC000038486418 568997016 /nfs/dbraw/zinc/99/70/16/568997016.db2.gz NAYCZNCKIFYFNR-UHFFFAOYSA-N 0 0 413.474 1.999 50 0 HDAARN Cc1nn(C)c(C)c1NC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000038489377 568997695 /nfs/dbraw/zinc/99/76/95/568997695.db2.gz MRCRDEMRKDAHLR-GHMZBOCLSA-N 0 0 410.496 1.989 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2C[C@H]1C(=O)NC1CCCC1 ZINC000015775771 568999351 /nfs/dbraw/zinc/99/93/51/568999351.db2.gz FPUHLUKKEYBNJK-IBGZPJMESA-N 0 0 421.519 1.044 50 0 HDAARN CCOC(=O)[C@H](C)NC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776475 568999921 /nfs/dbraw/zinc/99/99/21/568999921.db2.gz FOMBHUIMCIQVBI-ZDUSSCGKSA-N 0 0 414.441 1.876 50 0 HDAARN O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCC2(CC1)OCCO2 ZINC000015782840 569003281 /nfs/dbraw/zinc/00/32/81/569003281.db2.gz HHVZEUHDWMTHDM-UHFFFAOYSA-N 0 0 410.474 1.908 50 0 biogenic HDAARN COCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2c1=O ZINC000085601935 569003726 /nfs/dbraw/zinc/00/37/26/569003726.db2.gz VKXJXLALVURPRB-UHFFFAOYSA-N 0 0 408.370 1.782 50 0 HDAARN CCN1CCN(c2nc3ncn(CC(=O)N4C[C@H](C)C[C@H](C)C4)c(=O)c3s2)CC1 ZINC000067225901 569004103 /nfs/dbraw/zinc/00/41/03/569004103.db2.gz VPUDGMIYGKRHIT-GASCZTMLSA-N 0 0 418.567 1.499 50 0 HDAARN O=C(Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccco3)ccc21)N1CCCC1 ZINC000085651578 569005751 /nfs/dbraw/zinc/00/57/51/569005751.db2.gz VZHDSTGQASREOB-UHFFFAOYSA-N 0 0 421.500 1.757 50 0 HDAARN O=C(NC1CC1)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 ZINC000085651059 569005779 /nfs/dbraw/zinc/00/57/79/569005779.db2.gz RBARCCYDDSGAHM-HNNXBMFYSA-N 0 0 422.551 1.710 50 0 HDAARN CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCCCC3)c2)C1 ZINC000085651066 569005792 /nfs/dbraw/zinc/00/57/92/569005792.db2.gz QMBGSWIRIFNXSO-HNNXBMFYSA-N 0 0 410.540 1.568 50 0 HDAARN CCn1c2ccccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c1=O ZINC000015787119 569007812 /nfs/dbraw/zinc/00/78/12/569007812.db2.gz JHYIGRPFYPOHQC-UHFFFAOYSA-N 0 0 410.449 1.671 50 0 HDAARN O=C1CN(S(=O)(=O)c2cccc3nsnc32)CC(=O)N1CCc1ccccc1 ZINC000001513693 569009916 /nfs/dbraw/zinc/00/99/16/569009916.db2.gz UZEFICXGKPNEJZ-UHFFFAOYSA-N 0 0 416.484 1.294 50 0 HDAARN CN(CCOc1cccc(Cl)c1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012848574 569010295 /nfs/dbraw/zinc/01/02/95/569010295.db2.gz ITKGUTPXESUOSA-UHFFFAOYSA-N 0 0 402.838 1.437 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1)OCC(=O)N2 ZINC000015822301 569010825 /nfs/dbraw/zinc/01/08/25/569010825.db2.gz BDZAQJOKWNASFK-AWEZNQCLSA-N 0 0 417.487 1.824 50 0 HDAARN O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000012856840 569011111 /nfs/dbraw/zinc/01/11/11/569011111.db2.gz FAXVBVRZHKYJMT-GFCCVEGCSA-N 0 0 404.854 1.979 50 0 HDAARN COC(=O)c1ccc([C@@H]2NC(=O)N([C@H]3CCS(=O)(=O)C3)C(C)=C2C(=O)OC)cc1 ZINC000012856879 569011137 /nfs/dbraw/zinc/01/11/37/569011137.db2.gz ISBLOUBYTQUHFG-HOCLYGCPSA-N 0 0 422.459 1.174 50 0 HDAARN C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000012877985 569013807 /nfs/dbraw/zinc/01/38/07/569013807.db2.gz OABKOPFKFQPHQK-KBXCAEBGSA-N 0 0 415.506 1.966 50 0 HDAARN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000006140203 569014253 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/nfs/dbraw/zinc/22/38/27/569223827.db2.gz GCSBJQVOGWRZRH-UHFFFAOYSA-N 0 0 422.430 1.241 50 0 HDAARN C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NC2CCCCC2)C1=O ZINC000007132053 569225342 /nfs/dbraw/zinc/22/53/42/569225342.db2.gz RXFNZPXMVXZSIU-LJQANCHMSA-N 0 0 408.405 1.890 50 0 HDAARN C[C@H](OC(=O)c1ccccc1NCCO)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000007132204 569225448 /nfs/dbraw/zinc/22/54/48/569225448.db2.gz HZIGRICBFFGECI-NSHDSACASA-N 0 0 417.487 1.924 50 0 HDAARN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000007139292 569225748 /nfs/dbraw/zinc/22/57/48/569225748.db2.gz WSBZKXNXALQYEM-UHFFFAOYSA-N 0 0 416.455 1.698 50 0 HDAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000036723363 569225775 /nfs/dbraw/zinc/22/57/75/569225775.db2.gz LEFCDIHSBNNQRB-HNNXBMFYSA-N 0 0 407.465 1.969 50 0 HDAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000007159189 569225997 /nfs/dbraw/zinc/22/59/97/569225997.db2.gz JZWBKZMWHUKZCF-MRXNPFEDSA-N 0 0 405.476 1.291 50 0 HDAARN Cn1c2ncn(CC(=O)N(Cc3ccco3)Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000007153574 569226588 /nfs/dbraw/zinc/22/65/88/569226588.db2.gz ZVHFDFRWHYVCKK-UHFFFAOYSA-N 0 0 407.430 1.256 50 0 HDAARN Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)CC2 ZINC000238922703 569228420 /nfs/dbraw/zinc/22/84/20/569228420.db2.gz UFSUGQJAZUIRCA-CYBMUJFWSA-N 0 0 421.423 1.648 50 0 HDAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)c1 ZINC000238976764 569229407 /nfs/dbraw/zinc/22/94/07/569229407.db2.gz ZWKWMIIJPIGCPI-UHFFFAOYSA-N 0 0 417.413 1.371 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCCOc2ccccc2)cc1 ZINC000007255508 569230523 /nfs/dbraw/zinc/23/05/23/569230523.db2.gz MCCJJVNXHWHEKF-UHFFFAOYSA-N 0 0 406.460 1.888 50 0 HDAARN CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000007278452 569231217 /nfs/dbraw/zinc/23/12/17/569231217.db2.gz USCOFQSBEYKIEZ-HJPURHCSSA-N 0 0 421.453 1.678 50 0 HDAARN CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000007278528 569231242 /nfs/dbraw/zinc/23/12/42/569231242.db2.gz SEBVSXDYVHSNNO-HSZRJFAPSA-N 0 0 421.453 1.810 50 0 HDAARN O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007291268 569232521 /nfs/dbraw/zinc/23/25/21/569232521.db2.gz YAYXIQNGDCUCLW-UHFFFAOYSA-N 0 0 415.471 1.269 50 0 HDAARN COc1ccc(OC)c(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000007393554 569236384 /nfs/dbraw/zinc/23/63/84/569236384.db2.gz PRBNKIONKPHQIR-ZSEKCTLFSA-N 0 0 418.446 1.930 50 0 HDAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1OC ZINC000007422988 569237853 /nfs/dbraw/zinc/23/78/53/569237853.db2.gz JSBHRUMAMUAUMC-UHFFFAOYSA-N 0 0 409.446 1.951 50 0 HDAARN CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2)CC1 ZINC000007425559 569238159 /nfs/dbraw/zinc/23/81/59/569238159.db2.gz MNOLBBWQTXHYOU-OAHLLOKOSA-N 0 0 413.478 1.100 50 0 HDAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 ZINC000007425902 569238313 /nfs/dbraw/zinc/23/83/13/569238313.db2.gz UMPKEVJBLWGSRU-OAHLLOKOSA-N 0 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ZINC000025247212 558635742 /nfs/dbraw/zinc/63/57/42/558635742.db2.gz VYHRNMMAPXPJTJ-UHFFFAOYSA-N 0 0 405.378 1.665 50 0 HDAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc3cccnc32)c1 ZINC000014202170 558637422 /nfs/dbraw/zinc/63/74/22/558637422.db2.gz MMGAVMIKMJGSDQ-UHFFFAOYSA-N 0 0 412.471 1.854 50 0 HDAARN O=C(NCCO)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004519590 558637937 /nfs/dbraw/zinc/63/79/37/558637937.db2.gz IZDBNGMMWQKXFQ-AWEZNQCLSA-N 0 0 416.908 1.141 50 0 HDAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CCO)CC2)c1 ZINC000025330383 558638688 /nfs/dbraw/zinc/63/86/88/558638688.db2.gz CTWFFPGNXHUTFR-UHFFFAOYSA-N 0 0 403.504 1.262 50 0 HDAARN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000014226887 558638804 /nfs/dbraw/zinc/63/88/04/558638804.db2.gz WLBPVDWXHPPHBP-ZDUSSCGKSA-N 0 0 408.451 1.765 50 0 HDAARN CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014227259 558638930 /nfs/dbraw/zinc/63/89/30/558638930.db2.gz HXFXDYSGKFDCBC-CQSZACIVSA-N 0 0 413.515 1.600 50 0 HDAARN CCN1CCc2c(sc(NC(=O)c3ccccc3S(C)(=O)=O)c2C(N)=O)C1 ZINC000004517760 558640881 /nfs/dbraw/zinc/64/08/81/558640881.db2.gz LSDAVIMVRWMNHX-UHFFFAOYSA-N 0 0 407.517 1.881 50 0 HDAARN CCN(CC)C(=O)C1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000060215803 558643406 /nfs/dbraw/zinc/64/34/06/558643406.db2.gz IJYSRKJQOCQGDQ-UHFFFAOYSA-N 0 0 407.536 1.729 50 0 HDAARN CCn1c2ccc(C(=O)NCc3ccc(Cn4cccn4)cc3)cc2[nH]c(=O)c1=O ZINC000014246890 558648028 /nfs/dbraw/zinc/64/80/28/558648028.db2.gz KBOBIUFQLFXMEI-UHFFFAOYSA-N 0 0 403.442 1.885 50 0 HDAARN COCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004519116 558648718 /nfs/dbraw/zinc/64/87/18/558648718.db2.gz NRDOPNBAUSMREK-HNNXBMFYSA-N 0 0 414.867 1.327 50 0 HDAARN COc1cc(CC(=O)NCc2ccnc(N3CCOCC3)c2)cc(OC)c1OC ZINC000025757357 558648993 /nfs/dbraw/zinc/64/89/93/558648993.db2.gz TWJWFIFNQHLWPD-UHFFFAOYSA-N 0 0 401.463 1.803 50 0 HDAARN C[C@@H](OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014255402 558651394 /nfs/dbraw/zinc/65/13/94/558651394.db2.gz LVADSFWVAPGLKK-CYBMUJFWSA-N 0 0 423.425 1.732 50 0 HDAARN Cc1ccc(-c2csc3ncn(CCS(=O)(=O)CCC(N)=O)c(=O)c23)cc1 ZINC000014280228 558651718 /nfs/dbraw/zinc/65/17/18/558651718.db2.gz CEQVDXDWMYHSDW-UHFFFAOYSA-N 0 0 405.501 1.724 50 0 HDAARN COc1ccc(C2OCC(CO)(NC(=O)C(=O)Nc3cccc(OC)c3)CO2)cc1 ZINC000004526187 558653571 /nfs/dbraw/zinc/65/35/71/558653571.db2.gz QHAMLNZULSIVLY-UHFFFAOYSA-N 0 0 416.430 1.235 50 0 HDAARN C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CCn2c3ccccc3oc2=O)C1=O ZINC000026009574 558653636 /nfs/dbraw/zinc/65/36/36/558653636.db2.gz DLNOIWSTIIFSGJ-NRFANRHFSA-N 0 0 409.398 1.833 50 0 HDAARN COc1cccc(C(=O)N2CCN3C(=O)[C@H](COCc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014533634 558657192 /nfs/dbraw/zinc/65/71/92/558657192.db2.gz TVSAVWQMYAATIF-VQTJNVASSA-N 0 0 423.469 1.063 50 0 HDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]3C2)c1 ZINC000014534067 558657351 /nfs/dbraw/zinc/65/73/51/558657351.db2.gz TXMKETRBNZFNKY-DLBZAZTESA-N 0 0 407.536 1.392 50 0 HDAARN COc1ccccc1N1CCN(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)CC1 ZINC000026308609 558659034 /nfs/dbraw/zinc/65/90/34/558659034.db2.gz GRZWRTHODSHVRL-QUCCMNQESA-N 0 0 418.538 1.264 50 0 HDAARN CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)C1=NNC(=O)CC1)CC2 ZINC000014539448 558659252 /nfs/dbraw/zinc/65/92/52/558659252.db2.gz VGGCBUIAHJGXMC-UHFFFAOYSA-N 0 0 423.473 1.453 50 0 HDAARN O=C(c1cccc(Cl)c1)N1CCN2C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 ZINC000014538828 558659273 /nfs/dbraw/zinc/65/92/73/558659273.db2.gz WSADDHMGQOGMGD-QZTJIDSGSA-N 0 0 413.861 1.440 50 0 HDAARN Cc1nc(CO[C@@H]2CN(Cc3ccc4c(c3)CCO4)CC(=O)N(C(C)C)C2)no1 ZINC000014542079 558660385 /nfs/dbraw/zinc/66/03/85/558660385.db2.gz VENYWLMOEBYGKG-GOSISDBHSA-N 0 0 400.479 1.951 50 0 HDAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000026402616 558660423 /nfs/dbraw/zinc/66/04/23/558660423.db2.gz FPVJAKSJCSVPFC-YJBOKZPZSA-N 0 0 411.524 1.669 50 0 HDAARN CC(C)C[C@@H]1NC(=O)[C@H]2CN(S(=O)(=O)c3ccc4ccccc4c3)CCN2C1=O ZINC000014732651 558665965 /nfs/dbraw/zinc/66/59/65/558665965.db2.gz FVQSAGHMLWHQGS-RBUKOAKNSA-N 0 0 415.515 1.586 50 0 HDAARN CC(C)CN1C[C@@H](OCc2ccccc2F)CN(C(=O)[C@@H]2CCC(=O)N2)CC1=O ZINC000014740357 558666515 /nfs/dbraw/zinc/66/65/15/558666515.db2.gz XFFMGWKXCIZZFP-AEFFLSMTSA-N 0 0 405.470 1.316 50 0 HDAARN O=C(c1ccc(F)cc1)N1CCN2C(=O)[C@H](COCc3ccccc3)NC(=O)[C@H]2C1 ZINC000014743495 558667871 /nfs/dbraw/zinc/66/78/71/558667871.db2.gz FMPQLONMLOZJOF-RBUKOAKNSA-N 0 0 411.433 1.194 50 0 HDAARN O=C(c1ccccc1Cl)N1CCN2C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]2C1 ZINC000014748512 558669928 /nfs/dbraw/zinc/66/99/28/558669928.db2.gz BXQUOAZPOHCYAO-ZWKOTPCHSA-N 0 0 413.861 1.440 50 0 HDAARN CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1 ZINC000065245781 558678208 /nfs/dbraw/zinc/67/82/08/558678208.db2.gz CLWOQRWYKUADDZ-UHFFFAOYSA-N 0 0 408.455 1.320 50 0 HDAARN COc1cccc(CN2C[C@@H](C(=O)NCc3nc4ccccc4c(=O)[nH]3)CCC2=O)c1 ZINC000014980129 558690850 /nfs/dbraw/zinc/69/08/50/558690850.db2.gz UXUMKVAOCCRJLF-INIZCTEOSA-N 0 0 420.469 1.987 50 0 HDAARN COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)sc2c1 ZINC000028104515 558691044 /nfs/dbraw/zinc/69/10/44/558691044.db2.gz UVVSDHYVIBSWBM-MNOVXSKESA-N 0 0 409.489 1.279 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000028197201 558692201 /nfs/dbraw/zinc/69/22/01/558692201.db2.gz HDDGMVJQHVAKLY-VLIAUNLRSA-N 0 0 408.499 1.424 50 0 HDAARN COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c1 ZINC000014997084 558696611 /nfs/dbraw/zinc/69/66/11/558696611.db2.gz MUCGZQPYRAAWCW-UHFFFAOYSA-N 0 0 401.486 1.943 50 0 HDAARN Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCC3)cc2)n1 ZINC000070039146 558704415 /nfs/dbraw/zinc/70/44/15/558704415.db2.gz IFPFENOWSIOUHW-UXHICEINSA-N 0 0 416.547 1.539 50 0 HDAARN COc1ccccc1OC1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1 ZINC000015065143 558708150 /nfs/dbraw/zinc/70/81/50/558708150.db2.gz DCWRNSKPQULKDY-UHFFFAOYSA-N 0 0 402.499 1.592 50 0 HDAARN Cc1nnc(SCCNC(=O)CCCn2nnnc2CN2CCC(C)CC2)s1 ZINC000015072038 558713517 /nfs/dbraw/zinc/71/35/17/558713517.db2.gz DAMILGRULATRIK-UHFFFAOYSA-N 0 0 424.600 1.754 50 0 HDAARN CC(C)[C@]1(C)CC(=O)N(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1=O ZINC000072286897 558718205 /nfs/dbraw/zinc/71/82/05/558718205.db2.gz ZCNPFQUAXRWSCC-QFIPXVFZSA-N 0 0 415.490 1.196 50 0 HDAARN COc1ccc(OC)c(NC(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000029675153 558718745 /nfs/dbraw/zinc/71/87/45/558718745.db2.gz LMBGBOAPJHLTPE-KRWDZBQOSA-N 0 0 418.538 1.661 50 0 HDAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccco1 ZINC000004553973 558721040 /nfs/dbraw/zinc/72/10/40/558721040.db2.gz NCQYRXFBLTYJOR-INIZCTEOSA-N 0 0 419.503 1.646 50 0 HDAARN CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)[C@H](c2ccccc2)C1 ZINC000030030031 558726354 /nfs/dbraw/zinc/72/63/54/558726354.db2.gz XPLNQIXERYUZOS-NRFANRHFSA-N 0 0 418.497 1.574 50 0 HDAARN Cc1csc(=O)n1CCCC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000030064348 558726987 /nfs/dbraw/zinc/72/69/87/558726987.db2.gz RBBBRZOWVSZACY-UHFFFAOYSA-N 0 0 409.533 1.838 50 0 HDAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000015196096 558727473 /nfs/dbraw/zinc/72/74/73/558727473.db2.gz HYISIEVEOIANCF-UHFFFAOYSA-N 0 0 415.475 1.459 50 0 HDAARN O=C(c1cc(Br)ccc1F)N1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000030205897 558728162 /nfs/dbraw/zinc/72/81/62/558728162.db2.gz NBQFPAQYYNAGSL-UHFFFAOYSA-N 0 0 420.304 1.687 50 0 HDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(N)=O)cc1)N(C)CC3)OCO2 ZINC000015414765 558738902 /nfs/dbraw/zinc/73/89/02/558738902.db2.gz XSHHCKHCSVEOOQ-INIZCTEOSA-N 0 0 408.418 1.076 50 0 biogenic HDAARN NS(=O)(=O)c1ccc(CCNC(=O)COCc2cc(-c3cccs3)on2)cc1 ZINC000015679211 558748848 /nfs/dbraw/zinc/74/88/48/558748848.db2.gz QHWKRZDZJCRLKA-UHFFFAOYSA-N 0 0 421.500 1.926 50 0 HDAARN C[C@H](OC(=O)COc1ccc(Cl)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000015714932 558749431 /nfs/dbraw/zinc/74/94/31/558749431.db2.gz ADGVLDGLCNJSMN-NSHDSACASA-N 0 0 412.851 1.937 50 0 HDAARN CCOC(=O)[C@]1(C(F)(F)F)N=C(c2ccc(OC)cc2)OC(N2CCOCC2)=N1 ZINC000003103636 558750019 /nfs/dbraw/zinc/75/00/19/558750019.db2.gz HVTUTSXZOZDDNJ-KRWDZBQOSA-N 0 0 415.368 1.982 50 0 HDAARN Cc1nc(C)n(C[C@H]2CN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CCO2)n1 ZINC000072303627 558755808 /nfs/dbraw/zinc/75/58/08/558755808.db2.gz PRIUYJDUIOMDSX-PBHICJAKSA-N 0 0 401.492 1.625 50 0 HDAARN CCOC(=O)c1ccccc1NC(=O)N1CCCN(C(=O)c2nonc2N)CC1 ZINC000033014459 558759747 /nfs/dbraw/zinc/75/97/47/558759747.db2.gz AOFNVMYFPJXEJX-UHFFFAOYSA-N 0 0 402.411 1.209 50 0 HDAARN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)CC1 ZINC000033026688 558760059 /nfs/dbraw/zinc/76/00/59/558760059.db2.gz ZUUWRIRZKJTGTB-UHFFFAOYSA-N 0 0 419.503 1.633 50 0 HDAARN CCOC(=O)CSc1nnc(NC(=O)CN2C(=O)COc3ccccc32)s1 ZINC000022967811 558760345 /nfs/dbraw/zinc/76/03/45/558760345.db2.gz JXHWMNZNBMUDPA-UHFFFAOYSA-N 0 0 408.461 1.557 50 0 HDAARN 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COCCn1nnc2ccc(NC(=O)c3cnc4c(F)cccc4c3O)cc2c1=O ZINC000604419243 568493109 /nfs/dbraw/zinc/49/31/09/568493109.db2.gz WBMNYDYNUIVVTF-UHFFFAOYSA-N 0 0 409.377 1.671 50 0 HDAARN COc1cccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(OC)c3)CC2)c1 ZINC000022945537 568500923 /nfs/dbraw/zinc/50/09/23/568500923.db2.gz ZHBQKCHGWXYRCQ-UHFFFAOYSA-N 0 0 412.490 1.899 50 0 HDAARN COc1ccc(CN2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)cc1 ZINC000022955433 568500945 /nfs/dbraw/zinc/50/09/45/568500945.db2.gz KJYAPMNRWFCCIT-UHFFFAOYSA-N 0 0 409.494 1.219 50 0 HDAARN O=C(CCNS(=O)(=O)c1cccnc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000048939879 568506818 /nfs/dbraw/zinc/50/68/18/568506818.db2.gz PJOCYRDFXFEMOW-UHFFFAOYSA-N 0 0 417.535 1.842 50 0 HDAARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2NC2CCN(C(=O)OCC)CC2)CC1 ZINC000032975767 568510167 /nfs/dbraw/zinc/51/01/67/568510167.db2.gz PNAGSGQCIPHICB-UHFFFAOYSA-N 0 0 407.467 1.095 50 0 HDAARN CN(C)C(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000024688615 568513465 /nfs/dbraw/zinc/51/34/65/568513465.db2.gz 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O=C(c1cc2cccnc2[nH]c1=O)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390831408 568592295 /nfs/dbraw/zinc/59/22/95/568592295.db2.gz RRMXXZHLANDCGR-UHFFFAOYSA-N 0 0 402.414 1.918 50 0 HDAARN Cn1c2cc(NC(=O)c3ccc4c(c3)OCO4)c(N3CCOCC3)cc2n(C)c1=O ZINC000020178533 568593045 /nfs/dbraw/zinc/59/30/45/568593045.db2.gz NWARPXGGPWLIBF-UHFFFAOYSA-N 0 0 410.430 1.695 50 0 HDAARN COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCOCC1 ZINC000020287437 568597312 /nfs/dbraw/zinc/59/73/12/568597312.db2.gz REDSWXXNMQURQC-HNAYVOBHSA-N 0 0 417.531 1.951 50 0 HDAARN CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccccn2)CC1 ZINC000020287972 568597591 /nfs/dbraw/zinc/59/75/91/568597591.db2.gz IEHCRUOJAPJVQH-QFBILLFUSA-N 0 0 415.563 1.643 50 0 HDAARN Cc1csc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 ZINC000020436852 568607154 /nfs/dbraw/zinc/60/71/54/568607154.db2.gz ZTPANPABWJLUTH-UHFFFAOYSA-N 0 0 422.488 1.783 50 0 HDAARN CCN(Cc1ccccc1)S(=O)(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000095420572 568607441 /nfs/dbraw/zinc/60/74/41/568607441.db2.gz FUVMFCLJFKSPKO-UHFFFAOYSA-N 0 0 408.524 1.598 50 0 HDAARN CCc1nccn1Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC ZINC000095441067 568610442 /nfs/dbraw/zinc/61/04/42/568610442.db2.gz ZIBWSIJSATUAMH-UHFFFAOYSA-N 0 0 403.508 1.884 50 0 HDAARN CCOC(=O)NCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC ZINC000095440070 568610585 /nfs/dbraw/zinc/61/05/85/568610585.db2.gz YGLZKPZCDXUUHG-OAHLLOKOSA-N 0 0 408.451 1.829 50 0 HDAARN C[C@@H](OC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)Nc1ccccc1OC(F)F ZINC000095444022 568611297 /nfs/dbraw/zinc/61/12/97/568611297.db2.gz QCKQSNGHYYMDFN-SECBINFHSA-N 0 0 419.344 1.614 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000095443852 568611300 /nfs/dbraw/zinc/61/13/00/568611300.db2.gz URFRLAIKXQKQPL-NQIIRXRSSA-N 0 0 417.531 1.806 50 0 HDAARN COc1ccc(NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000095447015 568612159 /nfs/dbraw/zinc/61/21/59/568612159.db2.gz SANXOAUHPHTYOU-XJKSGUPXSA-N 0 0 410.492 1.660 50 0 HDAARN CCOC(=O)N[C@H]1CCCN([C@@H](CN2C(=O)c3ccccc3C2=O)C(=O)OC)C1 ZINC000095447659 568612461 /nfs/dbraw/zinc/61/24/61/568612461.db2.gz AGMVFGOWBFBFSW-BBRMVZONSA-N 0 0 403.435 1.035 50 0 HDAARN CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1 ZINC000020487999 568613795 /nfs/dbraw/zinc/61/37/95/568613795.db2.gz MZONMHSASGGNKO-AWEZNQCLSA-N 0 0 407.536 1.868 50 0 HDAARN O=C(Nc1ncc(-c2ccccc2)s1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000095452933 568615332 /nfs/dbraw/zinc/61/53/32/568615332.db2.gz OISGREXQTRJWSG-GJZGRUSLSA-N 0 0 422.532 1.118 50 0 HDAARN Nc1c(Cl)cc(S(=O)(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1Cl ZINC000095455701 568616998 /nfs/dbraw/zinc/61/69/98/568616998.db2.gz XVSNBBQILDNCKM-CYBMUJFWSA-N 0 0 408.307 1.634 50 0 HDAARN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(c2nncn2C2CC2)CC1 ZINC000095461623 568620847 /nfs/dbraw/zinc/62/08/47/568620847.db2.gz SPDAAUNGYRCAIC-UHFFFAOYSA-N 0 0 410.521 1.585 50 0 HDAARN Cc1c(C(=O)N2CCOCC2)oc2c1-c1nn(CC(=O)NCc3ccco3)cc1CC2 ZINC000020510532 568621246 /nfs/dbraw/zinc/62/12/46/568621246.db2.gz WDKFBVWJZWLOIL-UHFFFAOYSA-N 0 0 424.457 1.932 50 0 HDAARN CC(C)[C@@H](O)C1(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000095463546 568622135 /nfs/dbraw/zinc/62/21/35/568622135.db2.gz AWHFDYCCIKVGBD-FUHWJXTLSA-N 0 0 410.536 1.671 50 0 HDAARN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464880 568622861 /nfs/dbraw/zinc/62/28/61/568622861.db2.gz LOGLJDQNZIOTAW-RTBURBONSA-N 0 0 418.582 1.426 50 0 HDAARN CSc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2=O)cc1 ZINC000095469075 568625290 /nfs/dbraw/zinc/62/52/90/568625290.db2.gz DYTPSYKNZMIVFF-LPHOPBHVSA-N 0 0 421.563 1.615 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3nccs3)cc2C[C@H]1C ZINC000020529329 568626012 /nfs/dbraw/zinc/62/60/12/568626012.db2.gz ZJIMOWVJRDLVGB-LLVKDONJSA-N 0 0 408.505 1.748 50 0 HDAARN Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1[C@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21 ZINC000095473484 568628979 /nfs/dbraw/zinc/62/89/79/568628979.db2.gz VHDDWSYPSUZGMK-YJYMSZOUSA-N 0 0 405.476 1.471 50 0 HDAARN COc1cc2nc(C)n(CCNS(=O)(=O)c3cccs3)c(=O)c2cc1OC ZINC000095476250 568630234 /nfs/dbraw/zinc/63/02/34/568630234.db2.gz ZFXNZTXDWGNIRE-UHFFFAOYSA-N 0 0 409.489 1.762 50 0 HDAARN O=c1c(Cl)c(N2CC[C@@H](CO)[C@@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000225405441 568634712 /nfs/dbraw/zinc/63/47/12/568634712.db2.gz RMCIGXNUIHHTIK-CABZTGNLSA-N 0 0 404.776 1.479 50 0 HDAARN O=C(NCc1ccncc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000020615001 568638161 /nfs/dbraw/zinc/63/81/61/568638161.db2.gz PJHLPSCSUQZBQO-OAHLLOKOSA-N 0 0 419.484 1.684 50 0 HDAARN C[C@H](CO)N(C[C@H](C)O)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000225516573 568645740 /nfs/dbraw/zinc/64/57/40/568645740.db2.gz OGBJZCUYUNUGDS-CABCVRRESA-N 0 0 424.494 1.759 50 0 HDAARN C[C@H](O)CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](C)CO ZINC000225516539 568645820 /nfs/dbraw/zinc/64/58/20/568645820.db2.gz OGBJZCUYUNUGDS-GJZGRUSLSA-N 0 0 424.494 1.759 50 0 HDAARN O=C(NCCN1CCOCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020863960 568646508 /nfs/dbraw/zinc/64/65/08/568646508.db2.gz SFTCCYGKNNPGEE-UHFFFAOYSA-N 0 0 404.540 1.771 50 0 HDAARN Cc1nn(CCCC(=O)N2CCC3(CC2)OCCO3)c(=O)c2cc3occc3n21 ZINC000020866317 568646609 /nfs/dbraw/zinc/64/66/09/568646609.db2.gz OKCFVZKIUUHKTB-UHFFFAOYSA-N 0 0 400.435 1.696 50 0 biogenic HDAARN COc1ccc(-n2cc(C(=O)NCCOc3cccc(-n4cnnn4)c3)nn2)cc1 ZINC000020890921 568647626 /nfs/dbraw/zinc/64/76/26/568647626.db2.gz ZGBCFDNNTZPFFU-UHFFFAOYSA-N 0 0 406.406 1.060 50 0 HDAARN CCN(C(=O)CN1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000225537153 568648588 /nfs/dbraw/zinc/64/85/88/568648588.db2.gz DEVPXQGRNXRWBT-STQMWFEESA-N 0 0 422.473 1.644 50 0 HDAARN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000020938260 568652460 /nfs/dbraw/zinc/65/24/60/568652460.db2.gz XHPDTFLLDRWNMP-UHFFFAOYSA-N 0 0 411.506 1.581 50 0 HDAARN CN(Cc1nnc(S(C)(=O)=O)s1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000225574077 568652908 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ZINC000096096471 568689093 /nfs/dbraw/zinc/68/90/93/568689093.db2.gz QGNQIQGNCYIZCF-IBGZPJMESA-N 0 0 401.488 1.892 50 0 HDAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-n4cncn4)nn3)sc2c1 ZINC000096097888 568689488 /nfs/dbraw/zinc/68/94/88/568689488.db2.gz MQCMBLICTBFMSN-UHFFFAOYSA-N 0 0 401.433 1.323 50 0 HDAARN Cn1c2cc(S(=O)(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)ccc2oc1=O ZINC000096104387 568692269 /nfs/dbraw/zinc/69/22/69/568692269.db2.gz WQHPRDOPMZFMFT-UHFFFAOYSA-N 0 0 414.505 1.252 50 0 HDAARN COc1cc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc(OC)c1O ZINC000096116386 568695794 /nfs/dbraw/zinc/69/57/94/568695794.db2.gz KQVIWFWCIJRGIE-CQSZACIVSA-N 0 0 419.430 1.757 50 0 biogenic HDAARN CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nnc2ccccn21 ZINC000096117609 568696877 /nfs/dbraw/zinc/69/68/77/568696877.db2.gz QHOYUCKTCDKXJZ-INIZCTEOSA-N 0 0 412.519 1.775 50 0 HDAARN CC(C)C(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)/C=C\c2ccccc2)C(C)C)CC1 ZINC000096179395 568702417 /nfs/dbraw/zinc/70/24/17/568702417.db2.gz 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CCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000021529265 568710010 /nfs/dbraw/zinc/71/00/10/568710010.db2.gz OMZHWYIKAIUGPJ-QGZVFWFLSA-N 0 0 401.916 1.229 50 0 HDAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCc3ccco3)cc2C(=O)N1C ZINC000021530950 568710757 /nfs/dbraw/zinc/71/07/57/568710757.db2.gz GWCVPGWGNZUFME-HXUWFJFHSA-N 0 0 401.467 1.413 50 0 HDAARN CC1=C(C(=O)NC[C@H](C)c2ccccc2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021535568 568711868 /nfs/dbraw/zinc/71/18/68/568711868.db2.gz ARHLUDXMGVTNNM-AWEZNQCLSA-N 0 0 406.504 1.574 50 0 biogenic HDAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCNc1ccc(C(F)(F)F)cn1 ZINC000025007640 568712915 /nfs/dbraw/zinc/71/29/15/568712915.db2.gz ATJZYDTUIOPREG-UHFFFAOYSA-N 0 0 407.352 1.332 50 0 HDAARN O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1cccs1 ZINC000012422834 568721445 /nfs/dbraw/zinc/72/14/45/568721445.db2.gz LGPPLVAUXCLRHI-UHFFFAOYSA-N 0 0 407.561 1.668 50 0 HDAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)[C@H]2CCC(=O)N2)n1 ZINC000012422871 568721450 /nfs/dbraw/zinc/72/14/50/568721450.db2.gz WLRKUJKBUOZPCT-CQSZACIVSA-N 0 0 402.476 1.270 50 0 HDAARN CCCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000021602670 568723045 /nfs/dbraw/zinc/72/30/45/568723045.db2.gz QOUDGZIWISTQGH-KKUMJFAQSA-N 0 0 412.508 1.556 50 0 HDAARN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1C ZINC000021633052 568724982 /nfs/dbraw/zinc/72/49/82/568724982.db2.gz IDLFZNSPYFAMMT-UHFFFAOYSA-N 0 0 423.516 1.831 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCc1cccs1)OCC(=O)N2 ZINC000021650832 568729119 /nfs/dbraw/zinc/72/91/19/568729119.db2.gz SDEGTYJPNQWRGU-UHFFFAOYSA-N 0 0 409.489 1.324 50 0 HDAARN COC(=O)C1(CS(=O)(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)CCC1 ZINC000239762529 568730004 /nfs/dbraw/zinc/73/00/04/568730004.db2.gz CLWXOESHZGOMHH-MRXNPFEDSA-N 0 0 407.492 1.781 50 0 HDAARN COCCN(CCOC)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000241121731 568730488 /nfs/dbraw/zinc/73/04/88/568730488.db2.gz JDNNSOBKISLYRL-GOSISDBHSA-N 0 0 414.524 1.570 50 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568950602 /nfs/dbraw/zinc/95/06/02/568950602.db2.gz HGMMHXBDXIUDNG-UHFFFAOYSA-N 0 0 411.430 1.905 50 0 HDAARN O=C(NCc1ccc(Cn2cncn2)cc1)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000084544522 568950888 /nfs/dbraw/zinc/95/08/88/568950888.db2.gz LVAWGAFHPMRUNR-UHFFFAOYSA-N 0 0 415.457 1.826 50 0 HDAARN CCN(C(=O)COC(=O)c1c(C)onc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004195208 568951093 /nfs/dbraw/zinc/95/10/93/568951093.db2.gz DZERXFJIFKLYDU-OAHLLOKOSA-N 0 0 406.460 1.842 50 0 HDAARN CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000015613726 568954625 /nfs/dbraw/zinc/95/46/25/568954625.db2.gz SKSAVEZHSNMDPV-CQSZACIVSA-N 0 0 411.505 1.095 50 0 HDAARN COC(=O)CCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)cc2)n(C)c1=O ZINC000004250769 568954817 /nfs/dbraw/zinc/95/48/17/568954817.db2.gz BIFYZGOVMVAIKZ-UHFFFAOYSA-N 0 0 409.446 1.627 50 0 HDAARN COC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3-c2cc(Cl)ccc2C)n(C)c1=O ZINC000004250686 568954820 /nfs/dbraw/zinc/95/48/20/568954820.db2.gz UHVCHCSGIPCDSE-UHFFFAOYSA-N 0 0 415.837 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CC[C@]1(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CCN(S(C)(=O)=O)C1 ZINC000102912535 560835371 /nfs/dbraw/zinc/83/53/71/560835371.db2.gz FSJDHGCGIHFKIP-NRFANRHFSA-N 0 0 418.563 1.669 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC000103285598 560840657 /nfs/dbraw/zinc/84/06/57/560840657.db2.gz OPKPUYWGZZRINR-OALUTQOASA-N 0 0 417.531 1.600 50 0 HDAARN NC(NOCC(=O)Nc1cccc(I)c1)=C1C=CC=NC1=O ZINC000103723163 560844102 /nfs/dbraw/zinc/84/41/02/560844102.db2.gz QFLZETMIPXYACY-ACCUITESSA-N 0 0 412.187 1.088 50 0 HDAARN CCOC(=O)c1c(C)n(CC)c(C)c1/C=C\C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000104232088 560849950 /nfs/dbraw/zinc/84/99/50/560849950.db2.gz BUPPLFGWRYWFBY-BVGULUMVSA-N 0 0 421.538 1.514 50 0 HDAARN COC(=O)c1ccccc1OC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000102414049 560852678 /nfs/dbraw/zinc/85/26/78/560852678.db2.gz AFMUCRKXGOPAKJ-PQHDGLIZSA-N 0 0 408.403 1.775 50 0 biogenic HDAARN COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](C)O)CCO2)cc(OC)c1OC ZINC000105038792 560860406 /nfs/dbraw/zinc/86/04/06/560860406.db2.gz VFIRXUNLWTZFMI-FUHWJXTLSA-N 0 0 424.538 1.892 50 0 HDAARN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005744434 560868942 /nfs/dbraw/zinc/86/89/42/560868942.db2.gz WENGCBUDKNPATC-FMNVXAMXSA-N 0 0 404.444 1.362 50 0 HDAARN C[C@H]1Cc2cc(S(=O)(=O)N3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000010119289 560872643 /nfs/dbraw/zinc/87/26/43/560872643.db2.gz YKZVCCHVSKZGNN-HNNXBMFYSA-N 0 0 422.528 1.847 50 0 HDAARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc5c(c3)OCO5)[C@H]4C2=O)no1 ZINC000106021990 560878190 /nfs/dbraw/zinc/87/81/90/560878190.db2.gz IZTBLJOFYKYMLD-WMIGDMCZSA-N 0 0 409.398 1.315 50 0 HDAARN O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012029374 560887473 /nfs/dbraw/zinc/88/74/73/560887473.db2.gz GYSAGNNAJIMLKG-INIZCTEOSA-N 0 0 411.476 1.717 50 0 HDAARN O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012029378 560887518 /nfs/dbraw/zinc/88/75/18/560887518.db2.gz IIEPCEYRMVDPOJ-QGZVFWFLSA-N 0 0 411.476 1.717 50 0 HDAARN CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 ZINC000012029876 560887566 /nfs/dbraw/zinc/88/75/66/560887566.db2.gz CJFHFOUHUCIMTC-SFHVURJKSA-N 0 0 422.528 1.966 50 0 HDAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(-c2ccc(F)cc2)c1=O)N1CCOCC1 ZINC000012140758 560890233 /nfs/dbraw/zinc/89/02/33/560890233.db2.gz UNOXJVCQOAKQJM-UHFFFAOYSA-N 0 0 423.400 1.897 50 0 HDAARN O=C(NCc1ccccn1)c1nnsc1NC(=O)N1CCN(c2ccccn2)CC1 ZINC000025184190 560891343 /nfs/dbraw/zinc/89/13/43/560891343.db2.gz PSPOGCBBGLAFPF-UHFFFAOYSA-N 0 0 424.490 1.612 50 0 HDAARN CC[C@H]1CN(S(=O)(=O)c2ccc(OC)c(Br)c2)CCN1C[C@H](C)O ZINC000108127611 560898005 /nfs/dbraw/zinc/89/80/05/560898005.db2.gz NJCNVYNMLMZXFS-STQMWFEESA-N 0 0 421.357 1.923 50 0 HDAARN COCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC ZINC000045896088 568421327 /nfs/dbraw/zinc/42/13/27/568421327.db2.gz VSHVXHZSRYVLRJ-CQSZACIVSA-N 0 0 424.255 1.923 50 0 HDAARN COc1cccc(-n2ccn3c(SCC(=O)NCc4ccco4)nnc3c2=O)c1 ZINC000046047539 568425722 /nfs/dbraw/zinc/42/57/22/568425722.db2.gz DBYPIEKHKKYPBC-UHFFFAOYSA-N 0 0 411.443 1.890 50 0 HDAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000047734585 568430964 /nfs/dbraw/zinc/43/09/64/568430964.db2.gz PGGFAMANCRQOEM-GOSISDBHSA-N 0 0 405.462 1.872 50 0 HDAARN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000047734587 568431006 /nfs/dbraw/zinc/43/10/06/568431006.db2.gz PGGFAMANCRQOEM-SFHVURJKSA-N 0 0 405.462 1.872 50 0 HDAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cccnc1-n1cccn1 ZINC000048198087 568432300 /nfs/dbraw/zinc/43/23/00/568432300.db2.gz OJFKYOORSSZOES-UHFFFAOYSA-N 0 0 412.475 1.781 50 0 HDAARN CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000048250319 568434226 /nfs/dbraw/zinc/43/42/26/568434226.db2.gz YHPRFRVEHBHSKP-UHFFFAOYSA-N 0 0 402.538 1.301 50 0 HDAARN Cc1ccc(OCCCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000048253221 568434402 /nfs/dbraw/zinc/43/44/02/568434402.db2.gz FXQNNXIMIFTMQL-IRXDYDNUSA-N 0 0 408.520 1.306 50 0 HDAARN CC(=O)N[C@@H](CC(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1)c1cccs1 ZINC000048287378 568434624 /nfs/dbraw/zinc/43/46/24/568434624.db2.gz OJJYOYFCTBKQQD-INIZCTEOSA-N 0 0 403.508 1.470 50 0 HDAARN CN1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)[C@@H](c2ccccc2)C1 ZINC000048286520 568436071 /nfs/dbraw/zinc/43/60/71/568436071.db2.gz FDLORISHAGHQQA-HXUWFJFHSA-N 0 0 404.470 1.773 50 0 HDAARN CN1C(=O)c2ccc(C(=O)N3CCN(CCCOCC(F)(F)F)CC3)cc2C1=O ZINC000048300831 568437443 /nfs/dbraw/zinc/43/74/43/568437443.db2.gz AKFXJAAFDAISEX-UHFFFAOYSA-N 0 0 413.396 1.639 50 0 HDAARN O=C(c1ccc(OCc2ccncc2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000048364763 568441807 /nfs/dbraw/zinc/44/18/07/568441807.db2.gz WMABVTHWWUFWIG-LJQANCHMSA-N 0 0 415.515 1.606 50 0 HDAARN CCOC(=O)C1=C(COC(=O)c2cc3sc(N(C)C)nc3s2)NC(=O)NC1 ZINC000048366746 568442035 /nfs/dbraw/zinc/44/20/35/568442035.db2.gz OJQXVFPXFJGURD-UHFFFAOYSA-N 0 0 410.477 1.711 50 0 HDAARN O=C(c1nnc(-c2cc(S(=O)(=O)NCc3ccc(F)cc3)c[nH]2)o1)N1CCCC1 ZINC000085808844 568442433 /nfs/dbraw/zinc/44/24/33/568442433.db2.gz FNCPDIZWCGJVPD-UHFFFAOYSA-N 0 0 419.438 1.918 50 0 HDAARN CCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000049409794 568449779 /nfs/dbraw/zinc/44/97/79/568449779.db2.gz FDSZKVLEKQHBJP-UHFFFAOYSA-N 0 0 403.439 1.268 50 0 HDAARN COCc1nnc(NC(=O)Cn2nc(-c3ccc(OC)cc3F)ccc2=O)s1 ZINC000049550984 568452075 /nfs/dbraw/zinc/45/20/75/568452075.db2.gz YCFJRRYNCCGTOL-UHFFFAOYSA-N 0 0 405.411 1.695 50 0 HDAARN O=C(COC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)N1CCNC1=O ZINC000049574832 568452186 /nfs/dbraw/zinc/45/21/86/568452186.db2.gz DJHLUETVMDLCRU-MRXNPFEDSA-N 0 0 409.442 1.787 50 0 HDAARN O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)N1CCOCC1 ZINC000012233288 568454489 /nfs/dbraw/zinc/45/44/89/568454489.db2.gz DZNZIFQYSLJDLI-CQSZACIVSA-N 0 0 415.450 1.617 50 0 HDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012236076 568455106 /nfs/dbraw/zinc/45/51/06/568455106.db2.gz OEMQBAFOZDFFJF-KRWDZBQOSA-N 0 0 409.533 1.607 50 0 HDAARN CCOC(=O)N1CCN(C(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)CC1 ZINC000012237630 568455194 /nfs/dbraw/zinc/45/51/94/568455194.db2.gz RYWVWSPJAOBUFS-UHFFFAOYSA-N 0 0 424.461 1.191 50 0 HDAARN CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cccs2)C1 ZINC000051466208 568456859 /nfs/dbraw/zinc/45/68/59/568456859.db2.gz NRLOOCBFFYWGDH-ZIAGYGMSSA-N 0 0 401.554 1.433 50 0 HDAARN CC(C)[C@H](NC(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)C(=O)NC1CC1 ZINC000037578996 568459961 /nfs/dbraw/zinc/45/99/61/568459961.db2.gz WTXVEWYEEYYPJF-FQEVSTJZSA-N 0 0 423.517 1.962 50 0 HDAARN CNC(=O)NC(=O)[C@H](C)Sc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C ZINC000024720877 568460069 /nfs/dbraw/zinc/46/00/69/568460069.db2.gz RFZJFYIDLGNLSL-NSHDSACASA-N 0 0 420.491 1.775 50 0 HDAARN COc1ccc2c(C)c(CCC(=O)N3CCC(C(N)=O)CC3)c(=O)oc2c1OC ZINC000012296337 568462562 /nfs/dbraw/zinc/46/25/62/568462562.db2.gz LVJUYXIOWKFUJG-UHFFFAOYSA-N 0 0 402.447 1.775 50 0 biogenic HDAARN COc1cccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000000718430 568465879 /nfs/dbraw/zinc/46/58/79/568465879.db2.gz WDSDTXQQEJFDOK-UHFFFAOYSA-N 0 0 407.224 1.088 50 0 HDAARN NC(=O)[C@H]1CN(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)CCO1 ZINC000051712576 568473288 /nfs/dbraw/zinc/47/32/88/568473288.db2.gz OILQLTIFYZNMKD-OAHLLOKOSA-N 0 0 416.305 1.937 50 0 HDAARN C[C@@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)c1cc2c(cc1Br)OCCO2 ZINC000051710683 568473298 /nfs/dbraw/zinc/47/32/98/568473298.db2.gz DNQIULPRNCMKPB-YMTOWFKASA-N 0 0 414.256 1.177 50 0 HDAARN O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cccs2)CC1 ZINC000008071498 568490037 /nfs/dbraw/zinc/49/00/37/568490037.db2.gz ZOHKSHSBJVKYIA-UHFFFAOYSA-N 0 0 401.444 1.191 50 0 HDAARN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cn2cnc3ccccc3c2=O)C1=O ZINC000008152548 568491689 /nfs/dbraw/zinc/49/16/89/568491689.db2.gz RQMMNDNNOVBESI-QFIPXVFZSA-N 0 0 419.441 1.371 50 0 HDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(Cc2ccccc2)no1 ZINC000604405454 568492578 /nfs/dbraw/zinc/49/25/78/568492578.db2.gz TUQLPDLGBYWGRZ-MRXNPFEDSA-N 0 0 405.414 1.417 50 0 biogenic HDAARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCn1cccn1 ZINC000604418514 568492974 /nfs/dbraw/zinc/49/29/74/568492974.db2.gz IMCGHNJLXUGAJX-HXUWFJFHSA-N 0 0 401.426 1.814 50 0 HDAARN COc1cc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc(OC)c1OC ZINC000008274443 568495811 /nfs/dbraw/zinc/49/58/11/568495811.db2.gz XLLMJNQHTHXSMY-UHFFFAOYSA-N 0 0 419.478 1.973 50 0 HDAARN CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000000828793 568500249 /nfs/dbraw/zinc/50/02/49/568500249.db2.gz YRQMWDMVDGFLQO-STQMWFEESA-N 0 0 404.492 1.754 50 0 HDAARN CSCC[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn21 ZINC000223236841 568542061 /nfs/dbraw/zinc/54/20/61/568542061.db2.gz GSPLRCDOOURWJV-CQSZACIVSA-N 0 0 400.512 1.986 50 0 HDAARN Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3ccco3)cc21 ZINC000390827487 568591400 /nfs/dbraw/zinc/59/14/00/568591400.db2.gz YMQHLARDIYDVQT-SFHVURJKSA-N 0 0 404.400 1.532 50 0 HDAARN O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390831439 568592280 /nfs/dbraw/zinc/59/22/80/568592280.db2.gz RVONVCOLVYYKCJ-KRWDZBQOSA-N 0 0 406.425 1.522 50 0 HDAARN O=C(NCCn1ccc2cc(F)ccc21)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000094993146 568593888 /nfs/dbraw/zinc/59/38/88/568593888.db2.gz LKRVSHNNVAXOSP-HNNXBMFYSA-N 0 0 420.466 1.062 50 0 HDAARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2=O ZINC000095350643 568600931 /nfs/dbraw/zinc/60/09/31/568600931.db2.gz ZNLAEAFBCOTFTD-OPAMFIHVSA-N 0 0 414.506 1.991 50 0 HDAARN Cc1cc(NC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)ccc1Br ZINC000095357362 568601641 /nfs/dbraw/zinc/60/16/41/568601641.db2.gz IMXICJRCONLRGB-UHFFFAOYSA-N 0 0 423.355 1.936 50 0 HDAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000095414193 568607038 /nfs/dbraw/zinc/60/70/38/568607038.db2.gz MSWWHJHLIYJKQK-QFBILLFUSA-N 0 0 406.442 1.457 50 0 HDAARN COCc1cccc(C(=O)N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)c1 ZINC000040039850 568608718 /nfs/dbraw/zinc/60/87/18/568608718.db2.gz LOULHARNFIBKHQ-UHFFFAOYSA-N 0 0 411.505 1.038 50 0 HDAARN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000095432457 568609336 /nfs/dbraw/zinc/60/93/36/568609336.db2.gz AMEPHGOTLUELJB-NQIIRXRSSA-N 0 0 415.582 1.661 50 0 HDAARN C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c2cccnc2O1 ZINC000095433550 568609435 /nfs/dbraw/zinc/60/94/35/568609435.db2.gz SALNPSJLAGSWLL-LBPRGKRZSA-N 0 0 409.489 1.499 50 0 HDAARN CC[C@@H](C(=O)NCCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464954 568610205 /nfs/dbraw/zinc/61/02/05/568610205.db2.gz MLBLGXUQVBUGLK-SFHVURJKSA-N 0 0 411.506 1.747 50 0 HDAARN C[C@H]1CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)=NO1 ZINC000095448372 568612682 /nfs/dbraw/zinc/61/26/82/568612682.db2.gz ZRLPAPNICNDHTE-VIFPVBQESA-N 0 0 422.290 1.866 50 0 HDAARN O=C(C[C@@H]1OC(=O)c2ccccc21)NCCS(=O)(=O)N1CCc2ccccc21 ZINC000040091134 568615920 /nfs/dbraw/zinc/61/59/20/568615920.db2.gz JHQPBOLIXUJRSG-SFHVURJKSA-N 0 0 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HDAARN CCCC1N=NC(=S)N1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000036391322 569166418 /nfs/dbraw/zinc/16/64/18/569166418.db2.gz FLYWWHYNZRLEMA-OKILXGFUSA-N 0 0 404.540 1.844 50 0 HDAARN O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NCc1ccccc1 ZINC000036392144 569167407 /nfs/dbraw/zinc/16/74/07/569167407.db2.gz RTGWOESVTPBHIG-UHFFFAOYSA-N 0 0 409.458 1.588 50 0 HDAARN Cc1cc(C)n2ncc(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)c2n1 ZINC000036391787 569167553 /nfs/dbraw/zinc/16/75/53/569167553.db2.gz XUJYNFSCLSZPNX-IYBDPMFKSA-N 0 0 412.538 1.608 50 0 HDAARN C[C@H](OC(=O)Cn1c2ccccc2[nH]c(=O)c1=O)C(=O)Nc1ccc(F)c(F)c1F ZINC000036393861 569168390 /nfs/dbraw/zinc/16/83/90/569168390.db2.gz BSIMWIXRJPVRHG-VIFPVBQESA-N 0 0 421.331 1.678 50 0 HDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2oc1=O ZINC000065075760 569169798 /nfs/dbraw/zinc/16/97/98/569169798.db2.gz HSKCTEXQEMUJBP-UHFFFAOYSA-N 0 0 407.492 1.545 50 0 HDAARN CCOC(=O)c1cccc(NS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)c1 ZINC000006887343 569170652 /nfs/dbraw/zinc/17/06/52/569170652.db2.gz KUKVRJSEQSCVID-UHFFFAOYSA-N 0 0 403.416 1.502 50 0 HDAARN CC[C@H](C)NC(=O)c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 ZINC000169772496 569171877 /nfs/dbraw/zinc/17/18/77/569171877.db2.gz BHQXZFRLYSEDFJ-ZDUSSCGKSA-N 0 0 407.492 1.214 50 0 HDAARN CCc1ccc(-n2nnc(C(=O)NCCN3CCOCC3)c2-c2ccncc2)cc1 ZINC000065083380 569172874 /nfs/dbraw/zinc/17/28/74/569172874.db2.gz SXIMHLCZTSJIQX-UHFFFAOYSA-N 0 0 406.490 1.954 50 0 HDAARN COc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1 ZINC000169777025 569172978 /nfs/dbraw/zinc/17/29/78/569172978.db2.gz HZDYPLYQGIHEHO-UHFFFAOYSA-N 0 0 409.446 1.374 50 0 HDAARN CCCNC(=O)C1CCN(c2nc3ncn(CC(=O)NC(C)C)c(=O)c3s2)CC1 ZINC000065101203 569177545 /nfs/dbraw/zinc/17/75/45/569177545.db2.gz GAOQYXOAOFXNIH-UHFFFAOYSA-N 0 0 420.539 1.120 50 0 HDAARN CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2cc(OC)cc(OC)c2)c1=O ZINC000065101595 569178284 /nfs/dbraw/zinc/17/82/84/569178284.db2.gz LNAXZEITXHLIKN-UHFFFAOYSA-N 0 0 424.457 1.731 50 0 HDAARN COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCc3cccnc3)n2)cc1 ZINC000065117597 569180304 /nfs/dbraw/zinc/18/03/04/569180304.db2.gz APEQPPSXLGGYFW-UHFFFAOYSA-N 0 0 402.432 1.420 50 0 HDAARN O=C(NCCc1ccco1)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000006918264 569181491 /nfs/dbraw/zinc/18/14/91/569181491.db2.gz JVAIMKJIDRDKFR-HZPDHXFCSA-N 0 0 405.501 1.932 50 0 HDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000006939720 569185486 /nfs/dbraw/zinc/18/54/86/569185486.db2.gz DMUUNHXZOKYTPP-UHFFFAOYSA-N 0 0 401.444 1.390 50 0 HDAARN Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCSCC2)n1 ZINC000065151985 569185853 /nfs/dbraw/zinc/18/58/53/569185853.db2.gz JPNYMNWHBLDIFM-UHFFFAOYSA-N 0 0 406.533 1.899 50 0 HDAARN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000036488136 569190877 /nfs/dbraw/zinc/19/08/77/569190877.db2.gz BGOYLLGJYKIZPN-ZCNNSNEGSA-N 0 0 400.567 1.813 50 0 HDAARN CCOC(=O)c1ccc(NC(=O)Cn2c3csnc3c(=O)n(C3CC3)c2=O)cc1 ZINC000065185110 569191497 /nfs/dbraw/zinc/19/14/97/569191497.db2.gz NVOSVKYARNBAPX-UHFFFAOYSA-N 0 0 414.443 1.770 50 0 HDAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200429 569193761 /nfs/dbraw/zinc/19/37/61/569193761.db2.gz KHPCJRVMHBSNJH-UHFFFAOYSA-N 0 0 416.503 1.666 50 0 HDAARN CCCN1c2cc(C(=O)NCCCN3CCCC3=O)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202164 569195274 /nfs/dbraw/zinc/19/52/74/569195274.db2.gz YLONHHZNVNACFX-KRWDZBQOSA-N 0 0 412.490 1.681 50 0 HDAARN O=C(NCCN1CCOCC1)c1csc(N2CCN(c3ccccc3)CC2)n1 ZINC000065211456 569196433 /nfs/dbraw/zinc/19/64/33/569196433.db2.gz DVGVKPBNSNVUOS-UHFFFAOYSA-N 0 0 401.536 1.532 50 0 HDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)cc1OC ZINC000006999139 569196701 /nfs/dbraw/zinc/19/67/01/569196701.db2.gz LQXQTEFJHJFOPI-UHFFFAOYSA-N 0 0 414.397 1.908 50 0 HDAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000006993635 569197016 /nfs/dbraw/zinc/19/70/16/569197016.db2.gz UFTYUSBGZCJUOW-UHFFFAOYSA-N 0 0 403.822 1.896 50 0 HDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@@H](C)c1ccccc1 ZINC000007006169 569199384 /nfs/dbraw/zinc/19/93/84/569199384.db2.gz RLRCRRJKGJOIDV-OAHLLOKOSA-N 0 0 420.531 1.964 50 0 biogenic HDAARN CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CCOCC5)n4)ccn3n2)cc1 ZINC000065235859 569202580 /nfs/dbraw/zinc/20/25/80/569202580.db2.gz WXACIPQMRHLGOH-UHFFFAOYSA-N 0 0 420.473 1.989 50 0 HDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCC(=O)NCc3cccnc3)C(=O)[C@H]1C2 ZINC000036584522 569202969 /nfs/dbraw/zinc/20/29/69/569202969.db2.gz OJOWIKZUWGLOPA-QGZVFWFLSA-N 0 0 424.457 1.494 50 0 HDAARN C=C1C(N2CCC(NC(=O)[C@H]3CCOC3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239159 569203097 /nfs/dbraw/zinc/20/30/97/569203097.db2.gz DKSFSGXOPYUKNJ-HNNXBMFYSA-N 0 0 421.494 1.916 50 0 HDAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000036594965 569204546 /nfs/dbraw/zinc/20/45/46/569204546.db2.gz WVVVCQKQAJITIP-SJLPKXTDSA-N 0 0 400.435 1.993 50 0 HDAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)NCC4CC4)c3)nc2)C1 ZINC000065254342 569207057 /nfs/dbraw/zinc/20/70/57/569207057.db2.gz BWTFVXBYOCLWMT-AWEZNQCLSA-N 0 0 403.508 1.828 50 0 HDAARN Cc1ccccc1N1CCN(S(=O)(=O)c2cc3n(c2)CCCN(C)C3=O)CC1 ZINC000065258744 569210512 /nfs/dbraw/zinc/21/05/12/569210512.db2.gz MOJSRKSJQRCKTN-UHFFFAOYSA-N 0 0 402.520 1.783 50 0 HDAARN COC(=O)CNC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)CC12CCCCC2 ZINC000065259870 569210944 /nfs/dbraw/zinc/21/09/44/569210944.db2.gz KDUYFTMNDHFQRZ-ZDUSSCGKSA-N 0 0 400.522 1.608 50 0 biogenic HDAARN COC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524730754 569212008 /nfs/dbraw/zinc/21/20/08/569212008.db2.gz WAVXITLARBQCTE-QGZVFWFLSA-N 0 0 416.430 1.020 50 0 biogenic HDAARN COc1ccc(S(=O)(=O)N2CCN(C3=NC=CN4C[C@@H](C)N=C34)CC2)cc1Cl ZINC000065265347 569212179 /nfs/dbraw/zinc/21/21/79/569212179.db2.gz SMAPMFZJJBYRMH-CYBMUJFWSA-N 0 0 423.926 1.641 50 0 HDAARN COC(=O)CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524731798 569212510 /nfs/dbraw/zinc/21/25/10/569212510.db2.gz KQTJEYHJGDHIOR-FQEVSTJZSA-N 0 0 407.426 1.871 50 0 biogenic HDAARN Cn1cnc(CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000524734257 569213337 /nfs/dbraw/zinc/21/33/37/569213337.db2.gz NMAIHVHYVWOZIE-FQEVSTJZSA-N 0 0 416.441 1.636 50 0 biogenic HDAARN O=C(CSc1nnnn1-c1ccccc1Cl)N1CCn2c(=O)cccc2C1 ZINC000036636032 569214670 /nfs/dbraw/zinc/21/46/70/569214670.db2.gz NENWCDNICLEGKL-UHFFFAOYSA-N 0 0 402.867 1.612 50 0 HDAARN Cc1cc(C)n2c(nnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000007080558 569217239 /nfs/dbraw/zinc/21/72/39/569217239.db2.gz UKAMFZJMURKQGJ-HNNXBMFYSA-N 0 0 423.564 1.792 50 0 HDAARN Cc1cc(C)n2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000007083032 569217548 /nfs/dbraw/zinc/21/75/48/569217548.db2.gz MVPFTPBSWVYXCS-HNNXBMFYSA-N 0 0 423.564 1.792 50 0 HDAARN COc1cccc(NC(=O)[C@@H](OC(=O)CC[C@@H]2NC(=O)NC2=O)c2ccccc2)c1 ZINC000007093395 569219623 /nfs/dbraw/zinc/21/96/23/569219623.db2.gz JWNRDCVJRLTZKY-WMZOPIPTSA-N 0 0 411.414 1.906 50 0 HDAARN CC[C@]1(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292165 569219712 /nfs/dbraw/zinc/21/97/12/569219712.db2.gz JVHXPNYSJRXCEH-IBGZPJMESA-N 0 0 413.971 1.841 50 0 HDAARN COc1ccc(OCC(=O)N2CCN(c3cc(C(C)C)n4cnnc4n3)CC2)cc1 ZINC000065311978 569221091 /nfs/dbraw/zinc/22/10/91/569221091.db2.gz JKSWVTGZIMUCNY-UHFFFAOYSA-N 0 0 410.478 1.984 50 0 HDAARN CCN1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)CC1 ZINC000065311485 569221407 /nfs/dbraw/zinc/22/14/07/569221407.db2.gz AZROPWZPWZAWCU-UHFFFAOYSA-N 0 0 409.534 1.672 50 0 HDAARN CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)CC1 ZINC000036700529 569223012 /nfs/dbraw/zinc/22/30/12/569223012.db2.gz IQOXYOAFMBMCRE-UHFFFAOYSA-N 0 0 419.507 1.057 50 0 HDAARN CSCC[C@@H](NC(C)=O)C(=O)NCc1nnc2ccc(-c3cccs3)nn21 ZINC000238823798 569225336 /nfs/dbraw/zinc/22/53/36/569225336.db2.gz DGOMBKGTRGRNBH-CYBMUJFWSA-N 0 0 404.521 1.727 50 0 HDAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000036723365 569225726 /nfs/dbraw/zinc/22/57/26/569225726.db2.gz LEFCDIHSBNNQRB-OAHLLOKOSA-N 0 0 407.465 1.969 50 0 HDAARN CCN1CCN(C(=O)N2CC[C@@H](Oc3ncccc3Br)C2)C(=O)C1=O ZINC000238910835 569227971 /nfs/dbraw/zinc/22/79/71/569227971.db2.gz SESKWTCJJVPOTE-LLVKDONJSA-N 0 0 411.256 1.108 50 0 HDAARN CCN1CCN(C(=O)N2CC[C@H](Oc3ncccc3Br)C2)C(=O)C1=O ZINC000238910836 569227980 /nfs/dbraw/zinc/22/79/80/569227980.db2.gz SESKWTCJJVPOTE-NSHDSACASA-N 0 0 411.256 1.108 50 0 HDAARN Cc1nn(CCNC(=O)N2CCN(S(C)(=O)=O)C2=O)c(C)c1-c1ccccc1 ZINC000238906806 569227995 /nfs/dbraw/zinc/22/79/95/569227995.db2.gz RXCLEICOADIPRC-UHFFFAOYSA-N 0 0 405.480 1.574 50 0 HDAARN O=C(N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1)C1(c2ccccc2)CCOCC1 ZINC000238953183 569228911 /nfs/dbraw/zinc/22/89/11/569228911.db2.gz XJMDGBWWOCUYBD-UHFFFAOYSA-N 0 0 418.519 1.381 50 0 HDAARN CC[C@@H](C)n1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O ZINC000007237455 569230091 /nfs/dbraw/zinc/23/00/91/569230091.db2.gz ZTCRPBOQJXKVIO-CHWSQXEVSA-N 0 0 409.533 1.763 50 0 HDAARN 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0 0 411.281 1.386 50 0 HDAARN CCN(C(=O)COC(=O)c1c(C)onc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000004195209 568951176 /nfs/dbraw/zinc/95/11/76/568951176.db2.gz DZERXFJIFKLYDU-HNNXBMFYSA-N 0 0 406.460 1.842 50 0 HDAARN Cc1cccc(C(=O)NCCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000012772054 568952223 /nfs/dbraw/zinc/95/22/23/568952223.db2.gz YJVKEFIWTXMVAG-UHFFFAOYSA-N 0 0 415.515 1.648 50 0 HDAARN NC(=O)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 ZINC000229639007 568952920 /nfs/dbraw/zinc/95/29/20/568952920.db2.gz JVZUSCMGSSZAOS-MEOSDYHSSA-N 0 0 424.844 1.140 50 0 HDAARN CS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000670462551 568953333 /nfs/dbraw/zinc/95/33/33/568953333.db2.gz CDZDKNKIUCNIRC-CYBMUJFWSA-N 0 0 400.522 1.160 50 0 HDAARN Cc1cc(C)nc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 ZINC000004248926 568953884 /nfs/dbraw/zinc/95/38/84/568953884.db2.gz WMLDXJFDMZSBOC-UHFFFAOYSA-N 0 0 401.496 1.223 50 0 HDAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc2[nH]c(=O)c(C)c(C)n21 ZINC000004250395 568954448 /nfs/dbraw/zinc/95/44/48/568954448.db2.gz PVIDUXMLBHDXOI-UHFFFAOYSA-N 0 0 401.448 1.942 50 0 HDAARN O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(F)c(Cl)c1 ZINC000012776901 568954986 /nfs/dbraw/zinc/95/49/86/568954986.db2.gz KRBPWKALGLMPMK-UMVBOHGHSA-N 0 0 403.863 1.825 50 0 HDAARN CCOc1ccc(-n2c(C)c(C)n3c2nc2c3c(=O)n(CCOC)c(=O)n2C)cc1 ZINC000004250834 568955027 /nfs/dbraw/zinc/95/50/27/568955027.db2.gz RFXPRKUFCCOASF-UHFFFAOYSA-N 0 0 411.462 1.801 50 0 HDAARN CCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272519 568957510 /nfs/dbraw/zinc/95/75/10/568957510.db2.gz BVDPFOHSAZTNDA-UHFFFAOYSA-N 0 0 405.520 1.954 50 0 HDAARN Cc1cc(C)n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nnc2n1 ZINC000012780432 568957503 /nfs/dbraw/zinc/95/75/03/568957503.db2.gz KSLFTMAJPBSZCX-UHFFFAOYSA-N 0 0 414.491 1.456 50 0 HDAARN COc1ccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccc4c(c3)OCO4)N2)cc1 ZINC000004279777 568958517 /nfs/dbraw/zinc/95/85/17/568958517.db2.gz MRZGYTYRVFKWTQ-SFHVURJKSA-N 0 0 405.414 1.861 50 0 HDAARN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000012782851 568958772 /nfs/dbraw/zinc/95/87/72/568958772.db2.gz YXKQCNMRIOEJIV-NVXWUHKLSA-N 0 0 424.457 1.116 50 0 HDAARN CCOC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)ccc1=O ZINC000015669195 568960875 /nfs/dbraw/zinc/96/08/75/568960875.db2.gz ANFBNOAOHARQMD-UHFFFAOYSA-N 0 0 419.503 1.956 50 0 HDAARN COC(=O)C1=C(OC(=O)COc2ccccc2)c2ccccc2S(=O)(=O)N1C ZINC000015669514 568961233 /nfs/dbraw/zinc/96/12/33/568961233.db2.gz SHOSEXOOYOQELO-UHFFFAOYSA-N 0 0 403.412 1.785 50 0 HDAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2n(C)c(=O)c1=O ZINC000015671087 568961657 /nfs/dbraw/zinc/96/16/57/568961657.db2.gz HHALBUAJOHOVTN-MRXNPFEDSA-N 0 0 417.462 1.902 50 0 HDAARN COC(=O)c1ccc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000007982937 568963989 /nfs/dbraw/zinc/96/39/89/568963989.db2.gz PNWYMJBCVRRTIK-LBPRGKRZSA-N 0 0 401.444 1.217 50 0 HDAARN Cn1c(N)c(C(=O)COc2ccc(Br)cc2Cl)c(=O)n(C)c1=O ZINC000007986509 568964750 /nfs/dbraw/zinc/96/47/50/568964750.db2.gz UPWLYIHABPSZOH-UHFFFAOYSA-N 0 0 402.632 1.344 50 0 HDAARN CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccn1 ZINC000007987134 568965081 /nfs/dbraw/zinc/96/50/81/568965081.db2.gz WOFAWHUZGWHHKR-HNNXBMFYSA-N 0 0 404.517 1.558 50 0 HDAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000007989653 568966549 /nfs/dbraw/zinc/96/65/49/568966549.db2.gz XBTBJPFTBAJSRL-UHFFFAOYSA-N 0 0 408.432 1.321 50 0 HDAARN Cc1cccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 ZINC000008008304 568968078 /nfs/dbraw/zinc/96/80/78/568968078.db2.gz FVLDFWBDONCODR-CQSZACIVSA-N 0 0 406.460 1.982 50 0 HDAARN Cc1cc(C(=O)[C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccco1 ZINC000008012082 568968258 /nfs/dbraw/zinc/96/82/58/568968258.db2.gz JFXNDVPDHNFEJT-AWEZNQCLSA-N 0 0 409.446 1.937 50 0 HDAARN O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000006700416 568968781 /nfs/dbraw/zinc/96/87/81/568968781.db2.gz YSYBKOPAGSWBIO-JTQLQIEISA-N 0 0 409.327 1.523 50 0 HDAARN O=C(NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2)[C@@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000670465116 568968818 /nfs/dbraw/zinc/96/88/18/568968818.db2.gz RAHOYLCSZAFYMH-BCTUTRRWSA-N 0 0 422.489 1.596 50 0 HDAARN CCc1ccccc1NC(=O)CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000008024362 568969066 /nfs/dbraw/zinc/96/90/66/568969066.db2.gz FIZWTVKRMZJZBD-UHFFFAOYSA-N 0 0 401.488 1.940 50 0 HDAARN CCOc1ccccc1N1C[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC000008133414 568976362 /nfs/dbraw/zinc/97/63/62/568976362.db2.gz FZDSMBQKJKCEKI-HNNXBMFYSA-N 0 0 417.487 1.402 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000015719650 568976371 /nfs/dbraw/zinc/97/63/71/568976371.db2.gz VYCUKGJMLFXBJQ-UHFFFAOYSA-N 0 0 411.487 1.722 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](NC(C)=O)C(C)C ZINC000008133256 568976429 /nfs/dbraw/zinc/97/64/29/568976429.db2.gz RJPRMKPXULUZMA-GOSISDBHSA-N 0 0 411.524 1.969 50 0 HDAARN Cn1c2ncn(CC(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)c2c(=O)n(C)c1=O ZINC000008135800 568976896 /nfs/dbraw/zinc/97/68/96/568976896.db2.gz UGJGLJRAFDEKSN-OAHLLOKOSA-N 0 0 401.854 1.355 50 0 HDAARN COc1ccc(C)cc1-n1c(C)cn2c1nc1c2c(=O)n([C@H](C)C(C)=O)c(=O)n1C ZINC000004303995 568977356 /nfs/dbraw/zinc/97/73/56/568977356.db2.gz YOXFDSVHTGZZNL-CYBMUJFWSA-N 0 0 409.446 1.914 50 0 HDAARN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000008156385 568977983 /nfs/dbraw/zinc/97/79/83/568977983.db2.gz RREWWGYESIIYOS-LBPRGKRZSA-N 0 0 406.913 1.040 50 0 HDAARN CCOC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)on2)cn1C ZINC000015728962 568979450 /nfs/dbraw/zinc/97/94/50/568979450.db2.gz XWIMRKDETKWXOS-CYBMUJFWSA-N 0 0 410.452 1.290 50 0 HDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cc(F)cc(F)c1 ZINC000012805988 568979820 /nfs/dbraw/zinc/97/98/20/568979820.db2.gz PASBSLZFRXMIOM-UHFFFAOYSA-N 0 0 402.444 1.977 50 0 HDAARN COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)c(OC)c1 ZINC000015731353 568981849 /nfs/dbraw/zinc/98/18/49/568981849.db2.gz NSQQWKZSEDOANA-UHFFFAOYSA-N 0 0 424.475 1.310 50 0 biogenic HDAARN CCCc1nn2c(nc(COC(=O)CN3C(=O)c4ccccc4C3=O)cc2=O)s1 ZINC000015734282 568983449 /nfs/dbraw/zinc/98/34/49/568983449.db2.gz RSHSHXKVECSFPT-UHFFFAOYSA-N 0 0 412.427 1.443 50 0 HDAARN Cn1c2ncn(CC(=O)OCC(=O)c3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000008230124 568983685 /nfs/dbraw/zinc/98/36/85/568983685.db2.gz GKGYIDZXROYYQB-UHFFFAOYSA-N 0 0 406.398 1.013 50 0 HDAARN O=C(CNC(=O)C1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000008241033 568984647 /nfs/dbraw/zinc/98/46/47/568984647.db2.gz AWXJQVGEBQTERB-UHFFFAOYSA-N 0 0 411.499 1.355 50 0 HDAARN O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000008242126 568984959 /nfs/dbraw/zinc/98/49/59/568984959.db2.gz GHZMRQARPINOBO-CQSZACIVSA-N 0 0 403.298 1.461 50 0 HDAARN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc2c(c1)OCO2 ZINC000008266184 568986015 /nfs/dbraw/zinc/98/60/15/568986015.db2.gz MYFITSDHLBEMRA-XMHCIUCPSA-N 0 0 407.426 1.986 50 0 HDAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccc[nH]1 ZINC000012817781 568990354 /nfs/dbraw/zinc/99/03/54/568990354.db2.gz LSRCSTAJHGIPJM-IBGZPJMESA-N 0 0 419.437 1.856 50 0 HDAARN O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCCC2=O)cc1 ZINC000008328713 568992752 /nfs/dbraw/zinc/99/27/52/568992752.db2.gz PGXUWKYWTROBRX-UHFFFAOYSA-N 0 0 412.471 1.168 50 0 HDAARN COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000008331730 568993054 /nfs/dbraw/zinc/99/30/54/568993054.db2.gz JAGWDAXQCVXYJJ-UHFFFAOYSA-N 0 0 420.487 1.655 50 0 HDAARN COc1ccc(OC)c(NC(=O)Cn2cnc(S(=O)(=O)N3CCC(C)CC3)c2)c1 ZINC000015767050 568993408 /nfs/dbraw/zinc/99/34/08/568993408.db2.gz HRYKQNZBTGDUOO-UHFFFAOYSA-N 0 0 422.507 1.960 50 0 HDAARN CN(C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000008342833 568993703 /nfs/dbraw/zinc/99/37/03/568993703.db2.gz HXCWKJUSXRSINW-INIZCTEOSA-N 0 0 411.483 1.704 50 0 HDAARN Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3sccc3C(N)=O)CC2=O)cc1 ZINC000006082866 568996568 /nfs/dbraw/zinc/99/65/68/568996568.db2.gz ICIKGGIUJFPCQT-CQSZACIVSA-N 0 0 415.471 1.686 50 0 HDAARN O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)NCCc1ccco1 ZINC000015768018 568996767 /nfs/dbraw/zinc/99/67/67/568996767.db2.gz MKMVSUIGNCSUHP-UHFFFAOYSA-N 0 0 400.460 1.586 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000006084346 568996958 /nfs/dbraw/zinc/99/69/58/568996958.db2.gz KRULRTLKXHSXKV-GUYCJALGSA-N 0 0 422.507 1.324 50 0 HDAARN O=C(CSc1nnc(N2CCN(C(=O)C3CC3)CC2)s1)NCc1ccco1 ZINC000038488229 568997539 /nfs/dbraw/zinc/99/75/39/568997539.db2.gz RXKHZSOFNAWOGV-UHFFFAOYSA-N 0 0 407.521 1.598 50 0 HDAARN COCCN1CCN(C2CCN(C(=O)Nc3cccc(OC)c3)CC2)C(=O)C1=O ZINC000015774533 568999156 /nfs/dbraw/zinc/99/91/56/568999156.db2.gz MNPIGRAJUKIZEW-UHFFFAOYSA-N 0 0 404.467 1.009 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCCOC)N2C(C)=O ZINC000015775983 568999366 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Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)NCc1ccccc1)OCC(=O)N2 ZINC000015822204 569010750 /nfs/dbraw/zinc/01/07/50/569010750.db2.gz BMHCTLLRPVQIIM-UHFFFAOYSA-N 0 0 403.460 1.263 50 0 HDAARN COCCNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000012854423 569010891 /nfs/dbraw/zinc/01/08/91/569010891.db2.gz QDMBFNBNNGMDNZ-UHFFFAOYSA-N 0 0 412.512 1.135 50 0 HDAARN O=C(C=C1Nc2ccccc2S(=O)(=O)N1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015826798 569011624 /nfs/dbraw/zinc/01/16/24/569011624.db2.gz YZCDWAVKETYPQY-UHFFFAOYSA-N 0 0 402.451 1.887 50 0 HDAARN Cc1ccnc2nc(C(=O)O[C@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)nn21 ZINC000015854017 569014160 /nfs/dbraw/zinc/01/41/60/569014160.db2.gz UVBWTVHPZDCRBL-GFCCVEGCSA-N 0 0 408.418 1.742 50 0 HDAARN CN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000006145111 569014486 /nfs/dbraw/zinc/01/44/86/569014486.db2.gz WEKWEXNENHQDKF-LBPRGKRZSA-N 0 0 401.901 1.053 50 0 HDAARN O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000035269194 569015708 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CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2noc(CC)n2)CCCC1 ZINC000170600714 569243063 /nfs/dbraw/zinc/24/30/63/569243063.db2.gz CKMNLWIRSCVRRP-ZDUSSCGKSA-N 0 0 410.471 1.974 50 0 HDAARN CC(=O)N1CCN(Cc2ccccc2NC(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000170602425 569243717 /nfs/dbraw/zinc/24/37/17/569243717.db2.gz HITWLRXQSHBNDJ-UHFFFAOYSA-N 0 0 419.485 1.699 50 0 HDAARN CS(=O)(=O)c1nnc(CN(c2nccs2)S(=O)(=O)c2ccccc2)s1 ZINC000170605556 569244291 /nfs/dbraw/zinc/24/42/91/569244291.db2.gz JFFGULUHGYUOBQ-UHFFFAOYSA-N 0 0 416.531 1.794 50 0 HDAARN CCC(=O)NCC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000170608640 569245202 /nfs/dbraw/zinc/24/52/02/569245202.db2.gz IIGAJAPAMDLMCS-YJBOKZPZSA-N 0 0 403.479 1.313 50 0 HDAARN CC[C@H](CO)N1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)CC1 ZINC000170610356 569245286 /nfs/dbraw/zinc/24/52/86/569245286.db2.gz OIJIMMOBSMXXAQ-CQSZACIVSA-N 0 0 412.556 1.739 50 0 HDAARN Cn1c2nc(NCc3cccnc3)n(CCCOc3ccccc3)c2c(=O)[nH]c1=O ZINC000170624335 569249356 /nfs/dbraw/zinc/24/93/56/569249356.db2.gz WUAFFHOLSUXXTQ-UHFFFAOYSA-N 0 0 406.446 1.900 50 0 HDAARN C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O ZINC000007560449 569249372 /nfs/dbraw/zinc/24/93/72/569249372.db2.gz LCVAYCKSTAEBST-QHCPKHFHSA-N 0 0 421.453 1.853 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccncc3)C2=O)cc1OC ZINC000170625218 569249952 /nfs/dbraw/zinc/24/99/52/569249952.db2.gz RYVRRRPOGCTEBZ-INIZCTEOSA-N 0 0 412.446 1.268 50 0 biogenic HDAARN COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)s1 ZINC000170625632 569250223 /nfs/dbraw/zinc/25/02/23/569250223.db2.gz UBXYTWVESNFZBP-ZDUSSCGKSA-N 0 0 403.464 1.566 50 0 HDAARN Cc1nnnn1-c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000071286211 569252261 /nfs/dbraw/zinc/25/22/61/569252261.db2.gz UCAUTQCXRNXKQQ-UHFFFAOYSA-N 0 0 406.446 1.657 50 0 HDAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCNC(C)=O)cc1 ZINC000010219761 569253959 /nfs/dbraw/zinc/25/39/59/569253959.db2.gz VXHOKBNKOLJGAZ-UHFFFAOYSA-N 0 0 405.476 1.386 50 0 HDAARN COc1cn(CC(=O)Nc2cccc(C)c2)c(CSc2nnnn2C)cc1=O ZINC000010254828 569254297 /nfs/dbraw/zinc/25/42/97/569254297.db2.gz RPBCWSJJJCPZKE-UHFFFAOYSA-N 0 0 400.464 1.620 50 0 HDAARN COc1cn(CC(=O)Nc2ccccc2F)c(CSc2nnnn2C)cc1=O ZINC000010254818 569254320 /nfs/dbraw/zinc/25/43/20/569254320.db2.gz QSZNOLHDXRWFLU-UHFFFAOYSA-N 0 0 404.427 1.451 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000014217886 569259026 /nfs/dbraw/zinc/25/90/26/569259026.db2.gz LFCUHFJYJCZIIR-UHFFFAOYSA-N 0 0 403.504 1.949 50 0 HDAARN COc1ccc(C2=N/C(=C\c3ccc(OCC(N)=O)c(OC)c3)C(=O)O2)cc1OC ZINC000014241665 569259128 /nfs/dbraw/zinc/25/91/28/569259128.db2.gz WGMAOZRMFNTSPP-ZSOIEALJSA-N 0 0 412.398 1.921 50 0 HDAARN O=C(CS(=O)(=O)Cc1cccc(Br)c1)NCc1noc(C2CC2)n1 ZINC000089774419 569263779 /nfs/dbraw/zinc/26/37/79/569263779.db2.gz ORSYYPPPFQXOCG-UHFFFAOYSA-N 0 0 414.281 1.941 50 0 HDAARN O=C(CCN1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1)NC1CC1 ZINC000089779470 569263921 /nfs/dbraw/zinc/26/39/21/569263921.db2.gz UEBNAYCHNDXDNO-UHFFFAOYSA-N 0 0 413.522 1.038 50 0 HDAARN CCOc1ccc(-c2noc(Cn3c(=O)[nH]c4cc5c(cc4c3=O)OCO5)n2)cc1 ZINC000016844360 569264931 /nfs/dbraw/zinc/26/49/31/569264931.db2.gz OBSZLMOMRGACQF-UHFFFAOYSA-N 0 0 408.370 1.916 50 0 HDAARN Cc1nn(-c2nc(C)cc(=O)[nH]2)c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000016849575 569265626 /nfs/dbraw/zinc/26/56/26/569265626.db2.gz FUVWLGLQCUZGIM-UHFFFAOYSA-N 0 0 409.446 1.859 50 0 HDAARN Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccc(=O)n(C)c1 ZINC000016849515 569265656 /nfs/dbraw/zinc/26/56/56/569265656.db2.gz GPORZSRLPOBYHM-UHFFFAOYSA-N 0 0 413.459 1.318 50 0 HDAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3[C@@H]3CCS(=O)(=O)C3)c2=O)c1 ZINC000016849789 569265807 /nfs/dbraw/zinc/26/58/07/569265807.db2.gz YHOPARVLKHDFMF-OAHLLOKOSA-N 0 0 415.475 1.208 50 0 HDAARN CN(C)C(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccccc1 ZINC000017261598 569277419 /nfs/dbraw/zinc/27/74/19/569277419.db2.gz QZRKBYRYHNATDH-GOSISDBHSA-N 0 0 404.488 1.765 50 0 HDAARN O=C(CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)N[C@@H]1CCS(=O)(=O)C1 ZINC000170636865 569279654 /nfs/dbraw/zinc/27/96/54/569279654.db2.gz AIMGSFPXRFGGOU-IJLUTSLNSA-N 0 0 402.875 1.392 50 0 HDAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCO)CC(=O)N21 ZINC000002123219 569285691 /nfs/dbraw/zinc/28/56/91/569285691.db2.gz PIQDQWDXJNRAQZ-AVRDEDQJSA-N 0 0 405.454 1.854 50 0 biogenic HDAARN C[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)Nc1ccccc1 ZINC000002133912 569287402 /nfs/dbraw/zinc/28/74/02/569287402.db2.gz IHWDPMIZQZMPPU-XBFCAGORSA-N 0 0 420.462 1.526 50 0 biogenic HDAARN O=C(c1cc(N2CCOCC2)ncn1)N1CCN(c2nsc3ccccc32)CC1 ZINC000252487268 569289304 /nfs/dbraw/zinc/28/93/04/569289304.db2.gz HTQVGCHXLKWRCI-UHFFFAOYSA-N 0 0 410.503 1.885 50 0 HDAARN CCO[C@@H]1C[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)[C@H]1OC ZINC000252511043 569291735 /nfs/dbraw/zinc/29/17/35/569291735.db2.gz DJPHJVXJPZJHIP-YXJHDRRASA-N 0 0 412.508 1.402 50 0 HDAARN COC1(CNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)CCSCC1 ZINC000252533150 569292656 /nfs/dbraw/zinc/29/26/56/569292656.db2.gz FZFFSVAGVPFRNH-UHFFFAOYSA-N 0 0 417.531 1.879 50 0 HDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000252536561 569292900 /nfs/dbraw/zinc/29/29/00/569292900.db2.gz IWDZFAGEYGNXEW-MRXNPFEDSA-N 0 0 411.414 1.755 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N[C@@H](CO)CCSC)C2=O)cc1 ZINC000252537122 569292957 /nfs/dbraw/zinc/29/29/57/569292957.db2.gz KJCZXMKQUBUPEV-NVXWUHKLSA-N 0 0 423.535 1.373 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1 ZINC000252538296 569293194 /nfs/dbraw/zinc/29/31/94/569293194.db2.gz MWLMHXWDOYVAHR-LJQANCHMSA-N 0 0 411.458 1.817 50 0 HDAARN CCc1ccccc1S(=O)(=O)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000252585315 569294541 /nfs/dbraw/zinc/29/45/41/569294541.db2.gz HSBOKXLDAZEREK-IBGZPJMESA-N 0 0 405.564 1.956 50 0 HDAARN Cc1nc(C)n(C[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000007616197 569295908 /nfs/dbraw/zinc/29/59/08/569295908.db2.gz RYXCFSHTVGNLFG-OAHLLOKOSA-N 0 0 405.524 1.373 50 0 HDAARN CCNC(=O)[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000007648827 569298571 /nfs/dbraw/zinc/29/85/71/569298571.db2.gz KGYZHOGSDJMCBX-OAHLLOKOSA-N 0 0 403.504 1.728 50 0 HDAARN COc1ccc(C(=O)/N=c2\scc(C)n2CC(=O)N2CCOCC2)cc1OC ZINC000037428276 569298750 /nfs/dbraw/zinc/29/87/50/569298750.db2.gz BSOSUYSKISTTAJ-VXPUYCOJSA-N 0 0 405.476 1.475 50 0 HDAARN CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2N(C)CCc2ccncc2)cc1 ZINC000209155073 569299123 /nfs/dbraw/zinc/29/91/23/569299123.db2.gz USIRWOOAAQYDFL-WOJBJXKFSA-N 0 0 422.572 1.758 50 0 HDAARN C[C@@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000037459402 569299960 /nfs/dbraw/zinc/29/99/60/569299960.db2.gz PTSHACMALWPHPC-SFHVURJKSA-N 0 0 401.532 1.839 50 0 HDAARN COc1cc(Br)c(CC(=O)OCC(=O)NC(=O)NC2CC2)cc1OC ZINC000007802348 569311740 /nfs/dbraw/zinc/31/17/40/569311740.db2.gz HGYURVDVMQOXKI-UHFFFAOYSA-N 0 0 415.240 1.540 50 0 HDAARN COCCCNC(=O)[C@@H](NC(=O)C1CC1)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000037523183 569303346 /nfs/dbraw/zinc/30/33/46/569303346.db2.gz UAGMTNULBPHJRE-FQEVSTJZSA-N 0 0 415.534 1.895 50 0 HDAARN Cc1ccc(CN2CCCn3nc(C(=O)NCCC(=O)NC(C)C)cc3C2=O)cc1 ZINC000037579114 569307647 /nfs/dbraw/zinc/30/76/47/569307647.db2.gz SQBMYGQAWLUMBY-UHFFFAOYSA-N 0 0 411.506 1.882 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000007777750 569308686 /nfs/dbraw/zinc/30/86/86/569308686.db2.gz JCNJVYGXIPYHFF-CQSZACIVSA-N 0 0 405.451 1.185 50 0 HDAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(-n3cnnn3)cc1)C2=O ZINC000007781871 569310054 /nfs/dbraw/zinc/31/00/54/569310054.db2.gz MQGDDBNTGYALBF-ZUOKHONESA-N 0 0 411.466 1.738 50 0 HDAARN COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000007885258 569315239 /nfs/dbraw/zinc/31/52/39/569315239.db2.gz XQFDVAKSUUEHEK-UHFFFAOYSA-N 0 0 404.488 1.748 50 0 HDAARN O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1cccnc1)C1CC1 ZINC000007909804 569321531 /nfs/dbraw/zinc/32/15/31/569321531.db2.gz LQNLFOBTMDUAPA-UHFFFAOYSA-N 0 0 401.488 1.907 50 0 HDAARN O=S(=O)(c1ccc(NCc2cccc(Cn3cccn3)c2)nc1)N1CCOCC1 ZINC000054837006 569324634 /nfs/dbraw/zinc/32/46/34/569324634.db2.gz PGBSDYOHYXVHBM-UHFFFAOYSA-N 0 0 413.503 1.959 50 0 HDAARN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1cnc2ccccc2n1 ZINC000071769596 569359122 /nfs/dbraw/zinc/35/91/22/569359122.db2.gz CZCMCRIAFRGXRB-ZCNNSNEGSA-N 0 0 418.402 1.661 50 0 HDAARN C[C@@H](Cn1cccn1)NC(=O)C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 ZINC000253407654 569366105 /nfs/dbraw/zinc/36/61/05/569366105.db2.gz HRMGKIPTXXEVTL-KRWDZBQOSA-N 0 0 418.501 1.662 50 0 HDAARN C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000027540489 569369856 /nfs/dbraw/zinc/36/98/56/569369856.db2.gz LRXRZELTQPPVLH-QAPCUYQASA-N 0 0 413.971 1.492 50 0 HDAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCC(C(N)=O)CC1 ZINC000002310552 569373419 /nfs/dbraw/zinc/37/34/19/569373419.db2.gz LXZWZMPFIFVAQX-LBPRGKRZSA-N 0 0 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ZINC000033849926 559253398 /nfs/dbraw/zinc/25/33/98/559253398.db2.gz WTSARIKTODUFGT-IRBQFCFKSA-N 0 0 403.403 1.490 50 0 HDAARN CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000248022074 559259799 /nfs/dbraw/zinc/25/97/99/559259799.db2.gz JKVPLXFZACOARS-VGWMRTNUSA-N 0 0 401.573 1.605 50 0 biogenic HDAARN CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C ZINC000248038496 559260128 /nfs/dbraw/zinc/26/01/28/559260128.db2.gz NKLSRZBWRMCQQX-MELADBBJSA-N 0 0 400.570 1.989 50 0 HDAARN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1 ZINC000011858188 559262872 /nfs/dbraw/zinc/26/28/72/559262872.db2.gz KUYMBVPKIHHDEW-UHFFFAOYSA-N 0 0 423.472 1.512 50 0 HDAARN COc1ccc([C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c2nccn2C)cc1 ZINC000248130501 559265005 /nfs/dbraw/zinc/26/50/05/559265005.db2.gz NAJMWRJNQMYJTK-LMMKCTJWSA-N 0 0 410.474 1.810 50 0 HDAARN COc1ccc2[nH]cc(CCNC(=O)C(=O)N[C@H]3c4ccccc4N(C)C3=O)c2c1 ZINC000100788490 559266051 /nfs/dbraw/zinc/26/60/51/559266051.db2.gz QVSFRPLXRQYZAG-IBGZPJMESA-N 0 0 406.442 1.669 50 0 biogenic HDAARN Cc1ccccc1CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C ZINC000011904577 559266069 /nfs/dbraw/zinc/26/60/69/559266069.db2.gz ZTIVRQPLMGUDOK-UHFFFAOYSA-N 0 0 408.501 1.848 50 0 HDAARN Cc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 ZINC000011904882 559266319 /nfs/dbraw/zinc/26/63/19/559266319.db2.gz WRHQMDJZHLFNIK-CQSZACIVSA-N 0 0 408.501 1.786 50 0 HDAARN Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N(C)CCc1ccncc1 ZINC000011905967 559266530 /nfs/dbraw/zinc/26/65/30/559266530.db2.gz NKOOGGYMTTXDEE-UHFFFAOYSA-N 0 0 423.516 1.320 50 0 HDAARN CCCCN1C(=O)[C@@H]2[C@H](CCC(=O)[O-])[NH2+][C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O ZINC000248206213 559268798 /nfs/dbraw/zinc/26/87/98/559268798.db2.gz BBCUDCJPHRPQOY-XOTWJMMUSA-N 0 0 413.474 1.689 50 0 HDAARN O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 ZINC000011997430 559270361 /nfs/dbraw/zinc/27/03/61/559270361.db2.gz ANZVICJEGOOOCG-UHFFFAOYSA-N 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560537659 /nfs/dbraw/zinc/53/76/59/560537659.db2.gz RKGKAPHMOAJDEK-UHFFFAOYSA-N 0 0 408.256 1.840 50 0 HDAARN CCc1nc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)sc1C ZINC000080332075 560541879 /nfs/dbraw/zinc/54/18/79/560541879.db2.gz UVOJJRYIRUVAOV-GFCCVEGCSA-N 0 0 403.512 1.663 50 0 HDAARN COc1cccc(N2C[C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)c1 ZINC000005221990 560545224 /nfs/dbraw/zinc/54/52/24/560545224.db2.gz OFUNOVZRCWHGOL-ZDUSSCGKSA-N 0 0 404.444 1.550 50 0 HDAARN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000005244943 560550207 /nfs/dbraw/zinc/55/02/07/560550207.db2.gz AHROLPLLHHHEKU-CYBMUJFWSA-N 0 0 416.455 1.567 50 0 biogenic HDAARN O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)NC[C@H]1CCCO1 ZINC000005264124 560553246 /nfs/dbraw/zinc/55/32/46/560553246.db2.gz LVWFCMSMKDQKBK-OAHLLOKOSA-N 0 0 400.504 1.563 50 0 HDAARN COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCc3cccnc3)C2=O)cc1OC ZINC000206232118 560554923 /nfs/dbraw/zinc/55/49/23/560554923.db2.gz QITZBMRATSVROQ-MRXNPFEDSA-N 0 0 412.446 1.616 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000206242227 560555330 /nfs/dbraw/zinc/55/53/30/560555330.db2.gz MWQPWLXMRQFWTJ-QGZVFWFLSA-N 0 0 416.478 1.230 50 0 HDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1nccs1 ZINC000206256238 560555501 /nfs/dbraw/zinc/55/55/01/560555501.db2.gz KKGROMHIRHLSJO-CYBMUJFWSA-N 0 0 416.459 1.431 50 0 HDAARN O=C(CSc1ncccn1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000096455750 560559733 /nfs/dbraw/zinc/55/97/33/560559733.db2.gz YTHANOCSWNDKJG-UKTHLTGXSA-N 0 0 401.473 1.816 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000005293169 560562188 /nfs/dbraw/zinc/56/21/88/560562188.db2.gz LZELAGAREBDIHI-UHFFFAOYSA-N 0 0 422.507 1.520 50 0 HDAARN COc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000005315267 560564475 /nfs/dbraw/zinc/56/44/75/560564475.db2.gz BMQYYAQFACRKDE-UHFFFAOYSA-N 0 0 403.460 1.490 50 0 HDAARN O=C(NCCCc1ccccc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005339585 560567041 /nfs/dbraw/zinc/56/70/41/560567041.db2.gz VPXGREIEXQPTBY-UHFFFAOYSA-N 0 0 401.488 1.914 50 0 HDAARN COc1ccccc1CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005339694 560567143 /nfs/dbraw/zinc/56/71/43/560567143.db2.gz SXYVWXMVHKSOJV-UHFFFAOYSA-N 0 0 403.460 1.490 50 0 HDAARN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(=O)[O-])[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005351161 560568977 /nfs/dbraw/zinc/56/89/77/560568977.db2.gz GYFWRYXSDZIQRQ-ZCQATVAHSA-N 0 0 419.865 1.725 50 0 HDAARN COc1cc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc2c1OCCO2 ZINC000005351760 560569081 /nfs/dbraw/zinc/56/90/81/560569081.db2.gz OVHOVSVDSXKRRA-CQSZACIVSA-N 0 0 415.398 1.579 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000002630048 560586295 /nfs/dbraw/zinc/58/62/95/560586295.db2.gz CJPMUZQKYJIUDI-BJMVGYQFSA-N 0 0 422.890 1.903 50 0 HDAARN CCOC(=O)C1=C(COC(=O)c2ccccc2S(C)(=O)=O)NC(=O)N[C@@H]1CC ZINC000005534884 560606321 /nfs/dbraw/zinc/60/63/21/560606321.db2.gz TUXACDYFWCRHGN-GFCCVEGCSA-N 0 0 410.448 1.156 50 0 HDAARN CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cccc(F)c2)c1=O ZINC000008223604 560636387 /nfs/dbraw/zinc/63/63/87/560636387.db2.gz OCAVVUGHKVHGBT-UHFFFAOYSA-N 0 0 403.458 1.770 50 0 HDAARN CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2 ZINC000017297035 560706264 /nfs/dbraw/zinc/70/62/64/560706264.db2.gz KZWGLSCOKZKIDA-UHFFFAOYSA-N 0 0 419.528 1.711 50 0 HDAARN O=C(CNC(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000017360585 560711637 /nfs/dbraw/zinc/71/16/37/560711637.db2.gz GDMSIPSFIUATOF-UHFFFAOYSA-N 0 0 403.460 1.545 50 0 HDAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000000644580 560725026 /nfs/dbraw/zinc/72/50/26/560725026.db2.gz KRUUHFWHNMRASZ-UHFFFAOYSA-N 0 0 407.286 1.921 50 0 HDAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCNC(=O)C2)c1 ZINC000017818512 560728799 /nfs/dbraw/zinc/72/87/99/560728799.db2.gz GMDMWGHNHSSIRA-UHFFFAOYSA-N 0 0 421.906 1.733 50 0 HDAARN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CCN(c2nccs2)C1 ZINC000206810820 560746900 /nfs/dbraw/zinc/74/69/00/560746900.db2.gz BMCMLYVRLQZIMM-CYBMUJFWSA-N 0 0 414.940 1.860 50 0 HDAARN O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206906566 560749083 /nfs/dbraw/zinc/74/90/83/560749083.db2.gz BBWPKUYOGDARKQ-UHFFFAOYSA-N 0 0 401.833 1.741 50 0 HDAARN O=C(c1cccc(-n2cccn2)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206907521 560749114 /nfs/dbraw/zinc/74/91/14/560749114.db2.gz SIQOUBCTOSPNCT-UHFFFAOYSA-N 0 0 401.434 1.205 50 0 HDAARN Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CC[C@H](n3ccnn3)C2)c1C ZINC000206927838 560749772 /nfs/dbraw/zinc/74/97/72/560749772.db2.gz QXXBPIIEISHPSU-KRWDZBQOSA-N 0 0 405.524 1.654 50 0 HDAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1OC ZINC000100873006 560761292 /nfs/dbraw/zinc/76/12/92/560761292.db2.gz ATURXKNCWAMBPS-ZZEZOPTASA-N 0 0 421.500 1.746 50 0 HDAARN COc1ccc(OC)c2c1s/c(=N\C(=O)CN1C(=O)c3ccccc3C1=O)n2C ZINC000100908864 560762279 /nfs/dbraw/zinc/76/22/79/560762279.db2.gz BOUCBBSUYCWBJM-MRCUWXFGSA-N 0 0 411.439 1.981 50 0 HDAARN NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000100900363 560762360 /nfs/dbraw/zinc/76/23/60/560762360.db2.gz OKXXSUJEIZAFIP-KRWDZBQOSA-N 0 0 408.819 1.936 50 0 HDAARN Cn1c2[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2c(=O)n(C)c1=O ZINC000100983021 560765458 /nfs/dbraw/zinc/76/54/58/560765458.db2.gz CCHVYRNNXRGSEJ-UHFFFAOYSA-N 0 0 414.274 1.998 50 0 HDAARN CCOC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000583648267 560778932 /nfs/dbraw/zinc/77/89/32/560778932.db2.gz MJPOVYHECWLQDU-SFHVURJKSA-N 0 0 414.462 1.974 50 0 HDAARN O=C(Nc1cccc(OCCN2CCOCC2)c1)C1CCC(Cn2cnnn2)CC1 ZINC000583652568 560779291 /nfs/dbraw/zinc/77/92/91/560779291.db2.gz NTQFXZJIRSWLJX-UHFFFAOYSA-N 0 0 414.510 1.829 50 0 HDAARN O=C(CNS(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000018199851 560782954 /nfs/dbraw/zinc/78/29/54/560782954.db2.gz HGLWVZBOTQRTQL-UHFFFAOYSA-N 0 0 403.460 1.712 50 0 HDAARN CNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 ZINC000005689305 560784181 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/nfs/dbraw/zinc/83/59/22/568835922.db2.gz OCQLLWZVTZDYBD-UHFFFAOYSA-N 0 0 413.455 1.624 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000006034946 568836027 /nfs/dbraw/zinc/83/60/27/568836027.db2.gz ILKCCXFRSXLANV-UHFFFAOYSA-N 0 0 410.887 1.709 50 0 HDAARN Cc1noc(C)c1COc1ccc(CC(=O)OCc2nc(N)nc(N(C)C)n2)cc1 ZINC000012467613 568837998 /nfs/dbraw/zinc/83/79/98/568837998.db2.gz VVVHMWFIHJQAMC-UHFFFAOYSA-N 0 0 412.450 1.990 50 0 HDAARN Cn1c2nc(NCCCn3ccnc3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000001829199 568838223 /nfs/dbraw/zinc/83/82/23/568838223.db2.gz NTKBUGKKJNVPAX-UHFFFAOYSA-N 0 0 407.478 1.755 50 0 HDAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NC(=O)C2CC2)(C(F)(F)F)C(=O)N3)cc1 ZINC000001876364 568839103 /nfs/dbraw/zinc/83/91/03/568839103.db2.gz GCXROJZGHGCAGS-QGZVFWFLSA-N 0 0 408.336 1.070 50 0 HDAARN COc1ccc(C(=O)NCc2ccc(C(=O)NCC(OC)OC)cc2)cc1OC ZINC000003022886 568840721 /nfs/dbraw/zinc/84/07/21/568840721.db2.gz WTMNIAFVGQXDIJ-UHFFFAOYSA-N 0 0 402.447 1.983 50 0 biogenic 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/nfs/dbraw/zinc/84/39/74/568843974.db2.gz FVBCAPIJRFPFFP-OAHLLOKOSA-N 0 0 422.459 1.210 50 0 HDAARN COc1ccccc1CCN1CC(=O)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000230105299 568844280 /nfs/dbraw/zinc/84/42/80/568844280.db2.gz PXLPKWFPELAHTP-MOPGFXCFSA-N 0 0 400.500 1.752 50 0 HDAARN Cn1c2ncn(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000012532397 568844374 /nfs/dbraw/zinc/84/43/74/568844374.db2.gz FASXKPZKFDBIKX-UHFFFAOYSA-N 0 0 413.768 1.327 50 0 HDAARN Cn1c2ncn(CCCC(=O)NCc3ccc(C(F)(F)F)cc3)c2c(=O)n(C)c1=O ZINC000012550894 568852887 /nfs/dbraw/zinc/85/28/87/568852887.db2.gz DJKPNTHMJLLMMJ-UHFFFAOYSA-N 0 0 423.395 1.549 50 0 HDAARN CCCc1ccc([C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 ZINC000012551353 568853451 /nfs/dbraw/zinc/85/34/51/568853451.db2.gz ZQHFLVWQIXSYBX-SFHVURJKSA-N 0 0 411.506 1.900 50 0 HDAARN COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](CO)c3ccccc3)CC2=O)cc1OC ZINC000230209524 568854986 /nfs/dbraw/zinc/85/49/86/568854986.db2.gz KZIZCCRAXAABFM-OALUTQOASA-N 0 0 412.486 1.945 50 0 biogenic HDAARN Cc1cnc(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000003358243 568857128 /nfs/dbraw/zinc/85/71/28/568857128.db2.gz BNKFWTLXEOZKCH-MRXNPFEDSA-N 0 0 403.460 1.158 50 0 HDAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003421464 568858866 /nfs/dbraw/zinc/85/88/66/568858866.db2.gz NNVGCRJFYVKXOQ-UHFFFAOYSA-N 0 0 419.455 1.813 50 0 HDAARN CC[C@@H](C)N(C(=O)CSc1nc2ccccc2c(=O)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000012567584 568860601 /nfs/dbraw/zinc/86/06/01/568860601.db2.gz SXLPVPOTVRPVJH-ZIAGYGMSSA-N 0 0 423.560 1.840 50 0 HDAARN C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)C[C@H](C)O1 ZINC000003193198 568860785 /nfs/dbraw/zinc/86/07/85/568860785.db2.gz GIMFQYRVBHUSOB-MBNYWOFBSA-N 0 0 410.521 1.480 50 0 HDAARN COc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(OC)c1OC ZINC000003217279 568862732 /nfs/dbraw/zinc/86/27/32/568862732.db2.gz CPMUNTBMOWACRG-UHFFFAOYSA-N 0 0 403.387 1.914 50 0 HDAARN COc1cc(OC)cc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000003583375 568863620 /nfs/dbraw/zinc/86/36/20/568863620.db2.gz RABRZOSMOCYCKY-UHFFFAOYSA-N 0 0 404.444 1.989 50 0 HDAARN NC(=O)c1nn(-c2ccc(C(N)=O)cc2)s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000003764571 568868045 /nfs/dbraw/zinc/86/80/45/568868045.db2.gz ZEHPWUOUQIUPQV-FXBPSFAMSA-N 0 0 401.835 1.526 50 0 HDAARN O=C(CN1C(=O)CC2(CCCC2)C1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000012600331 568869866 /nfs/dbraw/zinc/86/98/66/568869866.db2.gz FPNRMWURGGNLLS-INIZCTEOSA-N 0 0 404.488 1.526 50 0 HDAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000012605713 568871221 /nfs/dbraw/zinc/87/12/21/568871221.db2.gz CLSCCWQNIPIQFL-UHFFFAOYSA-N 0 0 401.485 1.943 50 0 HDAARN CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003289614 568872816 /nfs/dbraw/zinc/87/28/16/568872816.db2.gz UHBHZPJFFKRHHM-UHFFFAOYSA-N 0 0 411.480 1.252 50 0 HDAARN O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1nccs1)CC2 ZINC000299756586 568873007 /nfs/dbraw/zinc/87/30/07/568873007.db2.gz HMHNAMYWRCYVPU-UHFFFAOYSA-N 0 0 414.510 1.833 50 0 HDAARN Cc1nnc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1C ZINC000299763208 568873290 /nfs/dbraw/zinc/87/32/90/568873290.db2.gz ZAKOWUKTQKCUKY-IBGZPJMESA-N 0 0 417.485 1.533 50 0 HDAARN CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)c1 ZINC000058014164 568876177 /nfs/dbraw/zinc/87/61/77/568876177.db2.gz WJQOSRKDOFXPMV-UHFFFAOYSA-N 0 0 407.448 1.353 50 0 HDAARN Cn1cnnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299796471 568876263 /nfs/dbraw/zinc/87/62/63/568876263.db2.gz QNWTUVFHKOPKFF-SFHVURJKSA-N 0 0 403.458 1.225 50 0 HDAARN Cc1nonc1CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795919 568876324 /nfs/dbraw/zinc/87/63/24/568876324.db2.gz MCAYKMBQAISCNS-GOSISDBHSA-N 0 0 404.442 1.788 50 0 HDAARN COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000015357119 568879331 /nfs/dbraw/zinc/87/93/31/568879331.db2.gz JPXITFKBGVBJCF-TXEJJXNPSA-N 0 0 410.452 1.266 50 0 HDAARN NS(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)cc1 ZINC000003316382 568879347 /nfs/dbraw/zinc/87/93/47/568879347.db2.gz WQQMMXWDMGAAKE-UHFFFAOYSA-N 0 0 402.881 1.790 50 0 HDAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000003321583 568880424 /nfs/dbraw/zinc/88/04/24/568880424.db2.gz LYDBDNHIQZKGSF-JOCHJYFZSA-N 0 0 408.458 1.929 50 0 HDAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnnn1C ZINC000003328943 568881625 /nfs/dbraw/zinc/88/16/25/568881625.db2.gz HPNNUIRGMJNBRB-UHFFFAOYSA-N 0 0 412.497 1.189 50 0 HDAARN COC(=O)c1cn(Cc2ccc(-c3nn4c(C)nnc4s3)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587087 568882084 /nfs/dbraw/zinc/88/20/84/568882084.db2.gz BYXGLZZNPQBXMR-UHFFFAOYSA-N 0 0 421.442 1.986 50 0 HDAARN COCCn1ccc2c1cccc2OCC(=O)NCc1nnnn1-c1ccccc1 ZINC000263588838 568884512 /nfs/dbraw/zinc/88/45/12/568884512.db2.gz ZDBQOFOIZFLOMZ-UHFFFAOYSA-N 0 0 406.446 1.959 50 0 HDAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1S(N)(=O)=O ZINC000012642106 568885352 /nfs/dbraw/zinc/88/53/52/568885352.db2.gz JWIXBDVRFKUHEW-UHFFFAOYSA-N 0 0 419.488 1.859 50 0 HDAARN CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N ZINC000003365888 568889147 /nfs/dbraw/zinc/88/91/47/568889147.db2.gz DPKIRYZUXXIUHV-MRVPVSSYSA-N 0 0 400.411 1.587 50 0 HDAARN COc1ccccc1-n1cc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)cn1 ZINC000670441087 568891952 /nfs/dbraw/zinc/89/19/52/568891952.db2.gz QBDDWYQJMDYDSB-KRWDZBQOSA-N 0 0 405.458 1.941 50 0 HDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000003391979 568894560 /nfs/dbraw/zinc/89/45/60/568894560.db2.gz XXSLTTRWQODYTP-QGZVFWFLSA-N 0 0 402.472 1.808 50 0 HDAARN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3cccs3)CC1)CS2 ZINC000003419274 568899499 /nfs/dbraw/zinc/89/94/99/568899499.db2.gz RHZVXYWHRBBSLN-BLLLJJGKSA-N 0 0 415.562 1.035 50 0 HDAARN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)NCc1ccc2c(c1)OCO2 ZINC000003420032 568899624 /nfs/dbraw/zinc/89/96/24/568899624.db2.gz RZCYBUZHDFAPQU-UHFFFAOYSA-N 0 0 421.409 1.545 50 0 HDAARN NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO ZINC000003455026 568906241 /nfs/dbraw/zinc/90/62/41/568906241.db2.gz XIDZPFUUHWAPJO-UHFFFAOYSA-N 0 0 418.500 1.670 50 0 HDAARN COc1cc2c(cc1OC)CN1C(=O)N(CCC(=O)NCc3cccnc3)C(=O)[C@@H]1C2 ZINC000012664627 568907202 /nfs/dbraw/zinc/90/72/02/568907202.db2.gz OJOWIKZUWGLOPA-KRWDZBQOSA-N 0 0 424.457 1.494 50 0 biogenic HDAARN COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012686191 568908239 /nfs/dbraw/zinc/90/82/39/568908239.db2.gz JQTWZULSMPRSFU-UHFFFAOYSA-N 0 0 416.459 1.845 50 0 HDAARN CC[C@@H](C)Nc1nc(Cl)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1 ZINC000001269967 568909645 /nfs/dbraw/zinc/90/96/45/568909645.db2.gz OMGBOSSCVRHNAO-SNVBAGLBSA-N 0 0 421.870 1.825 50 0 HDAARN COc1cc2c(cc1OC)CN(C(=O)CCNS(=O)(=O)c1ccccc1)CC2 ZINC000031034346 568910188 /nfs/dbraw/zinc/91/01/88/568910188.db2.gz BKIQGHTYKORGKG-UHFFFAOYSA-N 0 0 404.488 1.957 50 0 HDAARN O=C(NCCS(=O)(=O)N1CCc2ccccc21)NC[C@H]1COc2ccccc2O1 ZINC000031098707 568913177 /nfs/dbraw/zinc/91/31/77/568913177.db2.gz HWHFNHFJZZWFSY-INIZCTEOSA-N 0 0 417.487 1.518 50 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ZINC000012908411 569021591 /nfs/dbraw/zinc/02/15/91/569021591.db2.gz SPSBZHWNQPUPDY-QGZVFWFLSA-N 0 0 424.906 1.861 50 0 HDAARN O=C(COc1cc(Cl)cc(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012930094 569024154 /nfs/dbraw/zinc/02/41/54/569024154.db2.gz BOGSLZCBMBYGNY-CQSZACIVSA-N 0 0 407.319 1.704 50 0 HDAARN O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1COc2ccccc2O1 ZINC000012930452 569024633 /nfs/dbraw/zinc/02/46/33/569024633.db2.gz JQNGBKWULVGAQJ-QGZVFWFLSA-N 0 0 422.434 1.625 50 0 HDAARN O=C(NCCN1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1ccco1 ZINC000026145055 569026993 /nfs/dbraw/zinc/02/69/93/569026993.db2.gz CYEYWIKVQIPZSB-UHFFFAOYSA-N 0 0 410.474 1.594 50 0 HDAARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000016044374 569028251 /nfs/dbraw/zinc/02/82/51/569028251.db2.gz ZRCNVPSHJSNEKZ-UHFFFAOYSA-N 0 0 409.398 1.263 50 0 HDAARN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000016099553 569028937 /nfs/dbraw/zinc/02/89/37/569028937.db2.gz SNNPYIOKFPOAKM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/76/59/16/560765916.db2.gz GJPZCPAQIBBESP-UHFFFAOYSA-N 0 0 410.430 1.794 50 0 HDAARN CCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(OC)cc2)n(C)c1=O ZINC000011613330 560772909 /nfs/dbraw/zinc/77/29/09/560772909.db2.gz FIDMILHQMNIIOQ-UHFFFAOYSA-N 0 0 408.462 1.776 50 0 HDAARN COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F ZINC000018151632 560780019 /nfs/dbraw/zinc/78/00/19/560780019.db2.gz SVRDAYRRDZSKKK-UHFFFAOYSA-N 0 0 408.451 1.785 50 0 HDAARN COc1cc(CCNC(=O)Cn2nnc3ccccc3c2=O)ccc1OC(F)F ZINC000018205104 560784335 /nfs/dbraw/zinc/78/43/35/560784335.db2.gz FYKWLRMSIGBJFZ-UHFFFAOYSA-N 0 0 404.373 1.760 50 0 HDAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C(N)=O)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(OC)c1 ZINC000018211626 560784700 /nfs/dbraw/zinc/78/47/00/560784700.db2.gz LGIOKZZBLKYBBP-NMLBUPMWSA-N 0 0 419.437 1.705 50 0 biogenic HDAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1CN1CCOCC1 ZINC000018214220 560784798 /nfs/dbraw/zinc/78/47/98/560784798.db2.gz SGQHQNSWZAPEIO-UHFFFAOYSA-N 0 0 422.485 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COc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)[nH]n2)cc1 ZINC000051315758 560856141 /nfs/dbraw/zinc/85/61/41/560856141.db2.gz LSOVFHRNGUNBGY-UHFFFAOYSA-N 0 0 411.506 1.856 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004504854 560859884 /nfs/dbraw/zinc/85/98/84/560859884.db2.gz PRPMFDQYHYBDEU-HNNXBMFYSA-N 0 0 402.538 1.366 50 0 HDAARN C[C@H](O)[C@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000105348497 560870693 /nfs/dbraw/zinc/87/06/93/560870693.db2.gz WILWCVSJERCUGF-WKEQEPPJSA-N 0 0 423.444 1.170 50 0 HDAARN O=C([C@@H]1CCCN1S(=O)(=O)c1cccc(OC(F)(F)F)c1)N1CCOCC1 ZINC000046800347 560878403 /nfs/dbraw/zinc/87/84/03/560878403.db2.gz BPWKDDPIHGBFKI-AWEZNQCLSA-N 0 0 408.398 1.597 50 0 HDAARN CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O[C@H](C)C(N)=O ZINC000018408158 560880735 /nfs/dbraw/zinc/88/07/35/560880735.db2.gz XDLQDBAAAGMQDV-CWSCBRNRSA-N 0 0 410.414 1.815 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)NC)CC2)cc1 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CCOC(=O)CCNC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000021150498 568672287 /nfs/dbraw/zinc/67/22/87/568672287.db2.gz KPEDBYNOVRBDGF-UHFFFAOYSA-N 0 0 421.889 1.096 50 0 HDAARN Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 ZINC000021154213 568672975 /nfs/dbraw/zinc/67/29/75/568672975.db2.gz BVMOFEVGKNNKOT-QGZVFWFLSA-N 0 0 407.492 1.148 50 0 HDAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N1CCOCC1 ZINC000021156485 568673765 /nfs/dbraw/zinc/67/37/65/568673765.db2.gz SGJFJOJKCYPSQU-QGZVFWFLSA-N 0 0 420.897 1.815 50 0 HDAARN COc1ccc(CCC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1Br ZINC000030579970 568673880 /nfs/dbraw/zinc/67/38/80/568673880.db2.gz DQVNJZZUTHEGLF-UHFFFAOYSA-N 0 0 410.268 1.591 50 0 HDAARN CCCn1nnnc1CN(C[C@@H]1CCCN(Cc2nnnn2CCC)C1)C(C)C ZINC000095979978 568675106 /nfs/dbraw/zinc/67/51/06/568675106.db2.gz RZSQUQQJMLUMAV-QGZVFWFLSA-N 0 0 404.567 1.602 50 0 HDAARN CCS(=O)(=O)NCCNC(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095982572 568675679 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Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cnn(C)c1 ZINC000096000367 568681166 /nfs/dbraw/zinc/68/11/66/568681166.db2.gz SYJYHZJRQVFXRU-SFHVURJKSA-N 0 0 401.492 1.985 50 0 HDAARN Cn1ccc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1=O ZINC000096001385 568681430 /nfs/dbraw/zinc/68/14/30/568681430.db2.gz JNQRRKMMAHUNBN-HXUWFJFHSA-N 0 0 408.502 1.334 50 0 HDAARN O=C(Nc1cc(-n2cncn2)ncn1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000096025265 568686261 /nfs/dbraw/zinc/68/62/61/568686261.db2.gz RFSBPSJURRVLCU-AWEZNQCLSA-N 0 0 417.433 1.962 50 0 HDAARN C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000021330157 568687461 /nfs/dbraw/zinc/68/74/61/568687461.db2.gz GGGSQFLVNYCEPD-CQSZACIVSA-N 0 0 423.425 1.626 50 0 HDAARN O=C(NCc1cccc(F)c1)N1C[C@H]2C[C@@H]1[C@@H](NS(=O)(=O)c1cccnc1)C2 ZINC000096095741 568688560 /nfs/dbraw/zinc/68/85/60/568688560.db2.gz CYFMLBBRAHMRSF-FHLIZLRMSA-N 0 0 404.467 1.872 50 0 HDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N1CCN(CCOc2ccccc2)CC1 ZINC000096113957 568693399 /nfs/dbraw/zinc/69/33/99/568693399.db2.gz VPNJYJCAEKSBFX-HXUWFJFHSA-N 0 0 422.485 1.350 50 0 biogenic HDAARN Cn1c(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096114512 568694248 /nfs/dbraw/zinc/69/42/48/568694248.db2.gz TUNWLWPOVOLRLA-KRWDZBQOSA-N 0 0 405.458 1.763 50 0 biogenic HDAARN Cc1nc2ccccc2n1CCNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096115301 568694869 /nfs/dbraw/zinc/69/48/69/568694869.db2.gz WOXRFRDKCRSJNU-SFHVURJKSA-N 0 0 405.458 1.992 50 0 biogenic HDAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2)o1 ZINC000096116240 568695931 /nfs/dbraw/zinc/69/59/31/568695931.db2.gz RTZOPEJYUIMUFH-KRWDZBQOSA-N 0 0 403.431 1.881 50 0 biogenic HDAARN Cc1ncn(CC(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c(=O)c1C ZINC000096120139 568699306 /nfs/dbraw/zinc/69/93/06/568699306.db2.gz WFSKREROFXZMBM-INIZCTEOSA-N 0 0 409.895 1.588 50 0 HDAARN CCc1nn2c(nc(CN(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cc2=O)s1 ZINC000096128256 568701717 /nfs/dbraw/zinc/70/17/17/568701717.db2.gz 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O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000012422810 568721221 /nfs/dbraw/zinc/72/12/21/568721221.db2.gz IQGDVNGQWNFGAE-UHFFFAOYSA-N 0 0 419.522 1.632 50 0 HDAARN Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)o2)nn1C ZINC000012443136 568725018 /nfs/dbraw/zinc/72/50/18/568725018.db2.gz DGZLOTXRQJZSJH-UHFFFAOYSA-N 0 0 416.463 1.814 50 0 HDAARN Cn1nccc1C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000096313888 568725193 /nfs/dbraw/zinc/72/51/93/568725193.db2.gz HNCXZHZYJGGWAF-DHDCSXOGSA-N 0 0 400.416 1.615 50 0 HDAARN Cn1ccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000012444515 568725744 /nfs/dbraw/zinc/72/57/44/568725744.db2.gz RKDGBABIKRGFNS-UHFFFAOYSA-N 0 0 403.508 1.167 50 0 HDAARN CCN1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(C)c3)c2=O)CC1 ZINC000096318109 568727133 /nfs/dbraw/zinc/72/71/33/568727133.db2.gz CZRLSIOZYJOVRR-UHFFFAOYSA-N 0 0 420.513 1.933 50 0 HDAARN O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccccn1 ZINC000021643466 568727724 /nfs/dbraw/zinc/72/77/24/568727724.db2.gz SKYKGVZLONXLCA-UHFFFAOYSA-N 0 0 405.501 1.741 50 0 HDAARN CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccccc3OCC)c(=O)c21 ZINC000021648604 568728630 /nfs/dbraw/zinc/72/86/30/568728630.db2.gz KWFFGFPTDNJVBJ-UHFFFAOYSA-N 0 0 400.391 1.907 50 0 HDAARN CN(C)C(=O)c1csc(S(=O)(=O)N2CCC(C(=O)NC3CCCC3)CC2)c1 ZINC000096321864 568729385 /nfs/dbraw/zinc/72/93/85/568729385.db2.gz XQKOXIYGPAHIID-UHFFFAOYSA-N 0 0 413.565 1.909 50 0 HDAARN Cn1c2nc(NC3CCCCC3)n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O ZINC000000871003 568730129 /nfs/dbraw/zinc/73/01/29/568730129.db2.gz VQNCIJCTZGQDES-OAHLLOKOSA-N 0 0 413.478 1.608 50 0 HDAARN COCCN(CCOC)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000241121732 568730418 /nfs/dbraw/zinc/73/04/18/568730418.db2.gz JDNNSOBKISLYRL-SFHVURJKSA-N 0 0 414.524 1.570 50 0 HDAARN C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000241837550 568731779 /nfs/dbraw/zinc/73/17/79/568731779.db2.gz SKZVOLADBPYCEG-GJZGRUSLSA-N 0 0 416.565 1.811 50 0 HDAARN 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CCn1nnc2cc(C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ccc21 ZINC000012567830 568860556 /nfs/dbraw/zinc/86/05/56/568860556.db2.gz RGSRGEMRAJESPR-UHFFFAOYSA-N 0 0 419.445 1.208 50 0 HDAARN Cc1cc(=NC(=O)CCc2nc(-c3ccccc3)no2)n([C@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159156 568863075 /nfs/dbraw/zinc/86/30/75/568863075.db2.gz IPRBSSBBFHXAME-HNNXBMFYSA-N 0 0 415.475 1.594 50 0 HDAARN Cc1cc(=NC(=O)c2cc(=O)n(C)c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)[nH]1 ZINC000334159178 568863119 /nfs/dbraw/zinc/86/31/19/568863119.db2.gz VHKXVFKNSACLCA-CYBMUJFWSA-N 0 0 400.460 1.077 50 0 HDAARN COc1cc(OC)cc(C(=O)NCCCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000003583336 568863469 /nfs/dbraw/zinc/86/34/69/568863469.db2.gz UEXVIKXCUQYQGB-UHFFFAOYSA-N 0 0 403.460 1.562 50 0 HDAARN COc1ccc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)cc1OC ZINC000003583386 568863730 /nfs/dbraw/zinc/86/37/30/568863730.db2.gz WNRNMWBDXAXZJL-UHFFFAOYSA-N 0 0 404.444 1.989 50 0 HDAARN O=C(CNC(=O)c1cc(Cl)ccn1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000012580656 568864024 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50 0 HDAARN CCN(CC)C(=O)CN1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299775888 568874820 /nfs/dbraw/zinc/87/48/20/568874820.db2.gz LLDZQLVZUMOGMU-HXUWFJFHSA-N 0 0 421.513 1.765 50 0 HDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCc3c(C)noc3C)c2)CC1 ZINC000003308649 568877736 /nfs/dbraw/zinc/87/77/36/568877736.db2.gz AJQMOGSTCCBDLT-UHFFFAOYSA-N 0 0 421.475 1.501 50 0 HDAARN Cn1c2ncn(CC(=O)Nc3ccccc3Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000012625675 568878281 /nfs/dbraw/zinc/87/82/81/568878281.db2.gz BZXMJKNKZDQZKX-UHFFFAOYSA-N 0 0 403.442 1.663 50 0 HDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000263584931 568878573 /nfs/dbraw/zinc/87/85/73/568878573.db2.gz CFRCXCORASKXJQ-PBHICJAKSA-N 0 0 418.457 1.576 50 0 biogenic HDAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc3c2C(=O)NC3=O)c1 ZINC000003313213 568878815 /nfs/dbraw/zinc/87/88/15/568878815.db2.gz KSTOYWFZDGQANE-UHFFFAOYSA-N 0 0 401.444 1.853 50 0 HDAARN COc1cccc(OC)c1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003315518 568879159 /nfs/dbraw/zinc/87/91/59/568879159.db2.gz DNAVVAAPSKDKSL-UHFFFAOYSA-N 0 0 402.403 1.438 50 0 HDAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000004044965 568880162 /nfs/dbraw/zinc/88/01/62/568880162.db2.gz UZARRKIDXRIWGF-BLWXERESSA-N 0 0 404.419 1.159 50 0 biogenic HDAARN COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)c2nc(C)no2)c1 ZINC000078254081 568883366 /nfs/dbraw/zinc/88/33/66/568883366.db2.gz DCSDGIZNPVZDOW-VIFPVBQESA-N 0 0 403.844 1.874 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000003346485 568884733 /nfs/dbraw/zinc/88/47/33/568884733.db2.gz UWFGWQCARJWXRT-UHFFFAOYSA-N 0 0 401.444 1.562 50 0 HDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCC(C)CC3)c2)CC1 ZINC000003347328 568884788 /nfs/dbraw/zinc/88/47/88/568884788.db2.gz FHHILWHHKVNAEL-UHFFFAOYSA-N 0 0 407.536 1.848 50 0 HDAARN COc1ccc2[nH]c(CNC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)nc2c1 ZINC000670438863 568885140 /nfs/dbraw/zinc/88/51/40/568885140.db2.gz AGIYLPUUTXCMOZ-AWEZNQCLSA-N 0 0 406.508 1.087 50 0 HDAARN CCn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000012640988 568885281 /nfs/dbraw/zinc/88/52/81/568885281.db2.gz MRPAYBXIMXKHBZ-UHFFFAOYSA-N 0 0 417.469 1.744 50 0 HDAARN CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2ccccc2c1=O ZINC000003350668 568885727 /nfs/dbraw/zinc/88/57/27/568885727.db2.gz BGKKFLHCOCLQAX-UHFFFAOYSA-N 0 0 418.500 1.795 50 0 HDAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCCCC2)c(=O)[nH]c1=O ZINC000003352635 568885999 /nfs/dbraw/zinc/88/59/99/568885999.db2.gz DUGGERCHGOHHPJ-UHFFFAOYSA-N 0 0 400.479 1.879 50 0 HDAARN CN(C)C(=O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N(C)C)s2)s1 ZINC000003382062 568892655 /nfs/dbraw/zinc/89/26/55/568892655.db2.gz WIKGPJYJWGOLLF-UHFFFAOYSA-N 0 0 424.500 1.967 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1 ZINC000058160221 568894176 /nfs/dbraw/zinc/89/41/76/568894176.db2.gz YHVGQZFKHNECPU-UHFFFAOYSA-N 0 0 418.519 1.403 50 0 HDAARN CCCN(C(=O)CSc1nnc(-c2ccoc2C)n1N)[C@@H]1CCS(=O)(=O)C1 ZINC000003446856 568904767 /nfs/dbraw/zinc/90/47/67/568904767.db2.gz JFWXKHYSKXVKSE-GFCCVEGCSA-N 0 0 413.525 1.078 50 0 HDAARN CCOC(=O)COn1c2ccccc2[n+]([O-])c(-c2ccc(OC)c(OC)c2)c1=O ZINC000001251703 568908896 /nfs/dbraw/zinc/90/88/96/568908896.db2.gz NDKWWCKVMIDDJE-UHFFFAOYSA-N 0 0 400.387 1.311 50 0 HDAARN O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1Cl ZINC000003502367 568910536 /nfs/dbraw/zinc/91/05/36/568910536.db2.gz VGRCRWICFQOHGC-UHFFFAOYSA-N 0 0 405.769 1.664 50 0 HDAARN NS(=O)(=O)c1ccc(CCN[C@H]2CNC(=O)c3cc(-c4cccs4)nn32)cc1 ZINC000263615966 568910674 /nfs/dbraw/zinc/91/06/74/568910674.db2.gz GGVXWMHJNQBFNE-QGZVFWFLSA-N 0 0 417.516 1.333 50 0 HDAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CCCC[C@H]1C(N)=O ZINC000012699241 568916855 /nfs/dbraw/zinc/91/68/55/568916855.db2.gz JEUSTXYKHAJUTH-AWEZNQCLSA-N 0 0 411.300 1.152 50 0 HDAARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003592855 568918166 /nfs/dbraw/zinc/91/81/66/568918166.db2.gz OFIVIIOCABHPAM-UHFFFAOYSA-N 0 0 402.451 1.209 50 0 HDAARN COc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1OC ZINC000004164289 568918584 /nfs/dbraw/zinc/91/85/84/568918584.db2.gz IWPVSFYQCBRDDD-UHFFFAOYSA-N 0 0 421.450 1.135 50 0 HDAARN O=C(COC(=O)[C@H]1COc2ccccc2O1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004166532 568919214 /nfs/dbraw/zinc/91/92/14/568919214.db2.gz MJXGEPXIEGAWMF-QGZVFWFLSA-N 0 0 414.370 1.489 50 0 HDAARN COC(=O)C1=C(CSc2nc(N)n[nH]2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012731678 568922747 /nfs/dbraw/zinc/92/27/47/568922747.db2.gz XANREODRHNENNZ-CQSZACIVSA-N 0 0 400.464 1.835 50 0 HDAARN COc1cccc(N2CCN(C(=O)COCc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000031387264 568925103 /nfs/dbraw/zinc/92/51/03/568925103.db2.gz CJEKTRYXARXKCK-UHFFFAOYSA-N 0 0 408.458 1.797 50 0 HDAARN O=C(C(C(=O)N1CCOCC1)c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1 ZINC000001396630 568926466 /nfs/dbraw/zinc/92/64/66/568926466.db2.gz SNGQJCWNXWUTBK-UHFFFAOYSA-N 0 0 421.803 1.555 50 0 HDAARN CC(C)CN(Cn1nc(CN2CCCC2=O)oc1=S)[C@H]1CCS(=O)(=O)C1 ZINC000012740425 568928793 /nfs/dbraw/zinc/92/87/93/568928793.db2.gz TYWFHEHBCKAMKV-ZDUSSCGKSA-N 0 0 402.542 1.431 50 0 HDAARN Cc1c(C(=O)NC23C[C@H]4C[C@@H](C2)CC(n2ncnn2)(C4)C3)sc2[nH]cnc(=O)c12 ZINC000670455459 568930754 /nfs/dbraw/zinc/93/07/54/568930754.db2.gz ZPVUNOSICGLGFW-ORMMXULVSA-N 0 0 411.491 1.757 50 0 HDAARN CS(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(COCCO)c(F)c3)ccc21 ZINC000083987435 568930967 /nfs/dbraw/zinc/93/09/67/568930967.db2.gz KIYJIBXTZBPDID-UHFFFAOYSA-N 0 0 422.478 1.587 50 0 HDAARN COC(=O)C[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000031809695 568932280 /nfs/dbraw/zinc/93/22/80/568932280.db2.gz XYBZRUIZYSBXNU-WMLDXEAASA-N 0 0 422.388 1.450 50 0 HDAARN Cc1sc2c(c1C)c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)N1CCOCC1 ZINC000031819297 568933045 /nfs/dbraw/zinc/93/30/45/568933045.db2.gz ZCBBUSMQHRAEPD-UHFFFAOYSA-N 0 0 424.486 1.643 50 0 HDAARN CC(=O)C(Sc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C)=C(C)O ZINC000004032986 568934838 /nfs/dbraw/zinc/93/48/38/568934838.db2.gz XWOKDSKSNYGGJN-UHFFFAOYSA-N 0 0 416.434 1.472 50 0 HDAARN O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004035481 568935407 /nfs/dbraw/zinc/93/54/07/568935407.db2.gz SQBVTFFFGOTIJJ-OLZOCXBDSA-N 0 0 410.521 1.387 50 0 HDAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCCCOC(C)C ZINC000004046017 568936251 /nfs/dbraw/zinc/93/62/51/568936251.db2.gz YHLWDXDFBWTXEG-XOBRGWDASA-N 0 0 420.462 1.795 50 0 biogenic HDAARN Cc1cc(N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)nc(C(C)C)n1 ZINC000084111507 568938607 /nfs/dbraw/zinc/93/86/07/568938607.db2.gz REPWLOHVRPPWDU-CALCHBBNSA-N 0 0 413.522 1.732 50 0 HDAARN CCOC(=O)CCCn1c(-c2ccccc2)cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000001430535 568940227 /nfs/dbraw/zinc/94/02/27/568940227.db2.gz XHDZAEWWFIKUEC-UHFFFAOYSA-N 0 0 409.446 1.697 50 0 HDAARN CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)[O-] ZINC000004089966 568941875 /nfs/dbraw/zinc/94/18/75/568941875.db2.gz VZMVJLSVUXJWOA-ZWKOTPCHSA-N 0 0 401.507 1.524 50 0 biogenic HDAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000004101063 568942816 /nfs/dbraw/zinc/94/28/16/568942816.db2.gz ZDVQYMOTBLSDCF-IERDGZPVSA-N 0 0 418.494 1.824 50 0 HDAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)C1 ZINC000004101935 568942876 /nfs/dbraw/zinc/94/28/76/568942876.db2.gz JGCYTNYDQKZBHZ-ZDUSSCGKSA-N 0 0 402.447 1.971 50 0 HDAARN CCOC(=O)CNC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1CCOC ZINC000004138659 568945773 /nfs/dbraw/zinc/94/57/73/568945773.db2.gz AEXMPJRZLRRVJH-UHFFFAOYSA-N 0 0 417.491 1.844 50 0 HDAARN NC(=O)[C@H]1CC(C(=O)Nc2cccc(N3CCCNC3=O)c2)=NN1c1ccc(F)cc1 ZINC000084374325 568947837 /nfs/dbraw/zinc/94/78/37/568947837.db2.gz OMHVGCISIHCSGF-GOSISDBHSA-N 0 0 424.436 1.804 50 0 HDAARN O=C(CN1CCNC(=O)C[C@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000084525337 568950162 /nfs/dbraw/zinc/95/01/62/568950162.db2.gz PVWNJOXMRBAASP-INIZCTEOSA-N 0 0 410.430 1.627 50 0 HDAARN O=C(Nc1cccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)c1)[C@H]1Cc2ccccc2O1 ZINC000084581746 568951344 /nfs/dbraw/zinc/95/13/44/568951344.db2.gz NQKDTRKCTFHHOC-SJLPKXTDSA-N 0 0 401.440 1.973 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1C ZINC000015592714 568952434 /nfs/dbraw/zinc/95/24/34/568952434.db2.gz NYEWNTFFJKGDRS-UHFFFAOYSA-N 0 0 409.552 1.153 50 0 HDAARN CN1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2C(N)=O)C1 ZINC000004223603 568952535 /nfs/dbraw/zinc/95/25/35/568952535.db2.gz UHEJPTHCVQKZTR-UHFFFAOYSA-N 0 0 412.471 1.741 50 0 HDAARN CCc1ccccc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)OC)c(=O)n1C ZINC000004250801 568955048 /nfs/dbraw/zinc/95/50/48/568955048.db2.gz QBFGALCVBFCCBY-UHFFFAOYSA-N 0 0 409.446 1.491 50 0 HDAARN COc1ccc2[nH]c(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)nc2c1 ZINC000004252247 568955412 /nfs/dbraw/zinc/95/54/12/568955412.db2.gz LHLBCQLNKDYIPP-UHFFFAOYSA-N 0 0 400.464 1.501 50 0 HDAARN Cn1c(=O)c2c(SCC(=O)NC3CCCC3)nc(CC(C)(C)C)nc2n(C)c1=O ZINC000004266156 568956225 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/nfs/dbraw/zinc/49/10/70/568491070.db2.gz ZXDGATNUSRLWIC-IBGZPJMESA-N 0 0 406.870 1.944 50 0 HDAARN COc1ccc(C(=O)NCc2c3c(c(O)c4c2CCN(C)C4=O)OCO3)c(OC)c1 ZINC000604404721 568492405 /nfs/dbraw/zinc/49/24/05/568492405.db2.gz JMFXLRMCEGBJOY-UHFFFAOYSA-N 0 0 414.414 1.696 50 0 biogenic HDAARN CC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)c1 ZINC000012347857 568495856 /nfs/dbraw/zinc/49/58/56/568495856.db2.gz KOEMOZLOLMRRCV-UHFFFAOYSA-N 0 0 409.471 1.876 50 0 HDAARN Cc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000022787342 568499620 /nfs/dbraw/zinc/49/96/20/568499620.db2.gz LLMDRFVUSFKHFX-UHFFFAOYSA-N 0 0 400.567 1.674 50 0 HDAARN CN(C)c1nc(N)nc(COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)n1 ZINC000024963825 568501846 /nfs/dbraw/zinc/50/18/46/568501846.db2.gz MGMFAQJTGYYFBQ-AWEZNQCLSA-N 0 0 410.434 1.197 50 0 HDAARN COc1ncccc1C(=O)O[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000031484636 568503798 /nfs/dbraw/zinc/50/37/98/568503798.db2.gz YROCEYWTLBBNPQ-NSHDSACASA-N 0 0 401.375 1.755 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000031646223 568505112 /nfs/dbraw/zinc/50/51/12/568505112.db2.gz LQZLNPGYPBUNAT-UHFFFAOYSA-N 0 0 410.496 1.803 50 0 HDAARN COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c(OC)c1 ZINC000033162090 568512117 /nfs/dbraw/zinc/51/21/17/568512117.db2.gz ITJZSCLNZMJTTK-WQRHYEAKSA-N 0 0 407.451 1.667 50 0 HDAARN Cc1ccc(-c2ccc(=O)n(Cc3noc(C(=O)NC[C@@H]4CCCO4)n3)n2)cc1C ZINC000033292523 568513011 /nfs/dbraw/zinc/51/30/11/568513011.db2.gz MJHBQPJIVMRQJU-INIZCTEOSA-N 0 0 409.446 1.867 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000223218853 568541395 /nfs/dbraw/zinc/54/13/95/568541395.db2.gz RMOCCXKVKGJKBE-CJNGLKHVSA-N 0 0 422.445 1.426 50 0 HDAARN C[C@@H](NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn21 ZINC000223230116 568541751 /nfs/dbraw/zinc/54/17/51/568541751.db2.gz QKGLSKHMTLLIGA-ZBFHGGJFSA-N 0 0 406.446 1.460 50 0 HDAARN COc1ccccc1N1CCN(C(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1 ZINC000390827290 568591457 /nfs/dbraw/zinc/59/14/57/568591457.db2.gz WEYMWPUARFFMHY-UHFFFAOYSA-N 0 0 419.489 1.456 50 0 HDAARN CN1c2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2N(C)S1(=O)=O ZINC000390828280 568591605 /nfs/dbraw/zinc/59/16/05/568591605.db2.gz PSHUJGICUDPCAI-UHFFFAOYSA-N 0 0 409.489 1.620 50 0 HDAARN CC1(C)Cc2cccc(OCC(=O)N[C@H]3CCN(c4ccc5nncn5n4)C3)c2O1 ZINC000390830900 568592175 /nfs/dbraw/zinc/59/21/75/568592175.db2.gz OFULGVJBUVMITF-HNNXBMFYSA-N 0 0 408.462 1.612 50 0 HDAARN COc1cc(=O)n(C)cc1C(=O)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390832505 568592618 /nfs/dbraw/zinc/59/26/18/568592618.db2.gz ZTVIVVDPRHDXLD-UHFFFAOYSA-N 0 0 404.488 1.614 50 0 HDAARN O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)C2(n3cnnn3)CCCCC2)CC1 ZINC000094993134 568593611 /nfs/dbraw/zinc/59/36/11/568593611.db2.gz GAVXRKKIDPPBEM-UHFFFAOYSA-N 0 0 407.478 1.798 50 0 HDAARN Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCN1CCOCC1 ZINC000020241518 568595954 /nfs/dbraw/zinc/59/59/54/568595954.db2.gz SNQPJZNTGOZROQ-NDEPHWFRSA-N 0 0 405.520 1.656 50 0 aggregator HDAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccco2)CC1 ZINC000020288005 568597469 /nfs/dbraw/zinc/59/74/69/568597469.db2.gz KEUCAAXAAHXCRT-YJBOKZPZSA-N 0 0 404.536 1.841 50 0 HDAARN Cc1ccc(CC(=O)N2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000095347312 568600068 /nfs/dbraw/zinc/60/00/68/568600068.db2.gz AEKKIKYAYNIIFW-AWEZNQCLSA-N 0 0 414.428 1.458 50 0 HDAARN CCOC(=O)N1CCN(c2c(=O)c(=O)c2NCCc2ccc(OC)c(OC)c2)CC1 ZINC000020379021 568602250 /nfs/dbraw/zinc/60/22/50/568602250.db2.gz DDXNSYSJEWMZBN-UHFFFAOYSA-N 0 0 417.462 1.233 50 0 aggregator HDAARN O=C(CN1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1)Nc1ccccc1Cl ZINC000095440995 568610509 /nfs/dbraw/zinc/61/05/09/568610509.db2.gz SMMFQVYMRSVAEG-CQSZACIVSA-N 0 0 401.898 1.951 50 0 HDAARN O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000095444442 568611436 /nfs/dbraw/zinc/61/14/36/568611436.db2.gz JHEDHXSKYOYAMN-UHFFFAOYSA-N 0 0 418.881 1.422 50 0 HDAARN Cn1ncnc1COc1ccc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000095447979 568612414 /nfs/dbraw/zinc/61/24/14/568612414.db2.gz DFHZQVJUXSPVMA-UHFFFAOYSA-N 0 0 412.435 1.375 50 0 HDAARN CCN(CC)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1 ZINC000020486185 568613143 /nfs/dbraw/zinc/61/31/43/568613143.db2.gz YLRAIHVHGVFEJM-UHFFFAOYSA-N 0 0 400.482 1.595 50 0 HDAARN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN3CCOc4cccc2c43)c1 ZINC000095457521 568618305 /nfs/dbraw/zinc/61/83/05/568618305.db2.gz YGLPNILPANOSPZ-UHFFFAOYSA-N 0 0 409.489 1.002 50 0 HDAARN C[C@@H](Sc1nncs1)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040135766 568622490 /nfs/dbraw/zinc/62/24/90/568622490.db2.gz JDBVBUQKVVFKIH-CYBMUJFWSA-N 0 0 407.569 1.681 50 0 HDAARN CCn1nc(C)c(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)c1C(=O)OC ZINC000095467871 568624745 /nfs/dbraw/zinc/62/47/45/568624745.db2.gz SRZCOSRTLWCEIX-UHFFFAOYSA-N 0 0 424.479 1.175 50 0 HDAARN Cc1nnc(CNC(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)n1C1CC1 ZINC000095467850 568624855 /nfs/dbraw/zinc/62/48/55/568624855.db2.gz IGMCRRRLBWLVMM-MSOLQXFVSA-N 0 0 420.473 1.812 50 0 HDAARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(CCO)CC1 ZINC000095471208 568626324 /nfs/dbraw/zinc/62/63/24/568626324.db2.gz MCDGNFQYLWKLAF-UHFFFAOYSA-N 0 0 418.494 1.292 50 0 HDAARN CC(C)(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000020530150 568626582 /nfs/dbraw/zinc/62/65/82/568626582.db2.gz VUSXFDFJFCEZRA-UHFFFAOYSA-N 0 0 411.549 1.825 50 0 HDAARN Cc1nc2c3c(cccc3F)nn2c(C)c1CC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000095474197 568629059 /nfs/dbraw/zinc/62/90/59/568629059.db2.gz KIALFQOGLXLWAR-UHFFFAOYSA-N 0 0 419.482 1.285 50 0 HDAARN CCc1cc(C(=O)OC)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1 ZINC000095482170 568634226 /nfs/dbraw/zinc/63/42/26/568634226.db2.gz WRPFZSBJCUHDLS-UHFFFAOYSA-N 0 0 408.457 1.880 50 0 HDAARN O=c1c(Cl)c(N2CC[C@H](CO)[C@@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000225405483 568634611 /nfs/dbraw/zinc/63/46/11/568634611.db2.gz RMCIGXNUIHHTIK-SKDRFNHKSA-N 0 0 404.776 1.479 50 0 HDAARN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)N[C@]32C(=O)Nc3ccccc32)cc1 ZINC000020611245 568637042 /nfs/dbraw/zinc/63/70/42/568637042.db2.gz JKKMGPVZDDDLSP-NOUOUYHQSA-N 0 0 407.426 1.001 50 0 biogenic HDAARN COc1ccc(OC)c(CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c1 ZINC000225479891 568641561 /nfs/dbraw/zinc/64/15/61/568641561.db2.gz ARBYMXJJBLWIDA-UHFFFAOYSA-N 0 0 408.432 1.522 50 0 HDAARN CNC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020758510 568641968 /nfs/dbraw/zinc/64/19/68/568641968.db2.gz UKJHTKPZMVMRCD-KRWDZBQOSA-N 0 0 422.445 1.337 50 0 biogenic HDAARN CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020761966 568642382 /nfs/dbraw/zinc/64/23/82/568642382.db2.gz YKRGWZZVUKTONT-UHFFFAOYSA-N 0 0 424.866 1.003 50 0 HDAARN Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCCN2CCOCC2)c2ccco2)cc1 ZINC000020765963 568643253 /nfs/dbraw/zinc/64/32/53/568643253.db2.gz VAKWELDSUKNFFH-SFHVURJKSA-N 0 0 421.519 1.446 50 0 HDAARN O=C(c1cccc(C(=O)N2CCC3(CC2)OCCO3)n1)N1CCC2(CC1)OCCO2 ZINC000020945582 568653491 /nfs/dbraw/zinc/65/34/91/568653491.db2.gz LQLFKNWLFCJQHM-UHFFFAOYSA-N 0 0 417.462 1.040 50 0 HDAARN Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)NCCN1CCOCC1 ZINC000020991717 568655742 /nfs/dbraw/zinc/65/57/42/568655742.db2.gz PMXVUTHKHHWXQN-UHFFFAOYSA-N 0 0 412.515 1.877 50 0 HDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCc1ccccc1 ZINC000021020904 568658385 /nfs/dbraw/zinc/65/83/85/568658385.db2.gz BJWKANJCXQUPKV-UHFFFAOYSA-N 0 0 401.492 1.778 50 0 HDAARN Cc1noc(C)c1CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026631 568658826 /nfs/dbraw/zinc/65/88/26/568658826.db2.gz RNZOOBAKDRGHKK-AWEZNQCLSA-N 0 0 418.523 1.845 50 0 HDAARN C[C@H]1Cc2cc(C(=O)N3CCN(c4ncc(F)cn4)CC3)ccc2N1S(C)(=O)=O ZINC000095940135 568661453 /nfs/dbraw/zinc/66/14/53/568661453.db2.gz MHOKCJFIHJCZLN-ZDUSSCGKSA-N 0 0 419.482 1.289 50 0 HDAARN Cn1ccc2cc(S(=O)(=O)N3CCN(C(=O)NCc4ccco4)CC3)ccc21 ZINC000021087942 568661513 /nfs/dbraw/zinc/66/15/13/568661513.db2.gz GEEVQNWWSFITFE-UHFFFAOYSA-N 0 0 402.476 1.987 50 0 HDAARN O=C(CN1CCC[C@H](O)C1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000095950307 568667454 /nfs/dbraw/zinc/66/74/54/568667454.db2.gz CFMSYRMVOGFJLD-KNGSKEOJSA-N 0 0 423.922 1.949 50 0 HDAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000021108588 568667682 /nfs/dbraw/zinc/66/76/82/568667682.db2.gz MDMNTKVNLIVYNH-UHFFFAOYSA-N 0 0 403.844 1.134 50 0 HDAARN COc1ccc(N2C[C@@H](C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CC2=O)cc1 ZINC000095971373 568671476 /nfs/dbraw/zinc/67/14/76/568671476.db2.gz SYSBWEDOJRYHMP-KRWDZBQOSA-N 0 0 409.490 1.804 50 0 HDAARN CCCc1cc(=O)n2nc(N(C)CC(=O)NCc3ccc(OC)cc3)sc2n1 ZINC000021165268 568674561 /nfs/dbraw/zinc/67/45/61/568674561.db2.gz CMHIMRJXGPQBNA-UHFFFAOYSA-N 0 0 401.492 1.865 50 0 HDAARN COc1ncccc1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000095998274 568679452 /nfs/dbraw/zinc/67/94/52/568679452.db2.gz URPIKHOFJYIBPZ-AWEZNQCLSA-N 0 0 400.401 1.401 50 0 HDAARN COc1ccc(C(=O)N2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)cn1 ZINC000095998280 568679593 /nfs/dbraw/zinc/67/95/93/568679593.db2.gz ZWNKIKZZPTVYOE-AWEZNQCLSA-N 0 0 400.401 1.401 50 0 HDAARN Cc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(=O)[nH]1 ZINC000095999141 568680271 /nfs/dbraw/zinc/68/02/71/568680271.db2.gz FJVTXNYHWGRTOE-MRXNPFEDSA-N 0 0 401.488 1.680 50 0 HDAARN COc1ncccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000096003780 568682085 /nfs/dbraw/zinc/68/20/85/568682085.db2.gz IAKRHCHRIRYYGL-UHFFFAOYSA-N 0 0 421.475 1.437 50 0 HDAARN O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)C1 ZINC000096005466 568682384 /nfs/dbraw/zinc/68/23/84/568682384.db2.gz TUILXPMQFWWYQE-HNNXBMFYSA-N 0 0 409.899 1.423 50 0 HDAARN O=S(=O)(c1ccccc1)N1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000096011466 568684019 /nfs/dbraw/zinc/68/40/19/568684019.db2.gz SPLZAWXLHCINKT-QGZVFWFLSA-N 0 0 417.535 1.339 50 0 HDAARN Cc1nc(-c2cccs2)sc1C(=O)NCCn1nc(-n2cncn2)ccc1=O ZINC000096025189 568686262 /nfs/dbraw/zinc/68/62/62/568686262.db2.gz JKBDERJFUWOSQO-UHFFFAOYSA-N 0 0 413.488 1.747 50 0 HDAARN COc1cc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc2c1OCO2 ZINC000096115685 568695084 /nfs/dbraw/zinc/69/50/84/568695084.db2.gz PSIWQDCNXROPTF-CQSZACIVSA-N 0 0 417.414 1.772 50 0 biogenic HDAARN Cc1nn2c(NC(=O)CSc3nnc(-c4ccncc4)n3C)csc2nc1=O ZINC000012390843 568695115 /nfs/dbraw/zinc/69/51/15/568695115.db2.gz PMKMSYGLHVZINP-UHFFFAOYSA-N 0 0 414.476 1.381 50 0 HDAARN CSCC[C@H](NC(=O)[C@H](c1ccccc1)n1cnnn1)c1nnc2ccccn21 ZINC000096117222 568696604 /nfs/dbraw/zinc/69/66/04/568696604.db2.gz INZZMDRFKAQGLB-RDJZCZTQSA-N 0 0 408.491 1.916 50 0 HDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000096117237 568696804 /nfs/dbraw/zinc/69/68/04/568696804.db2.gz BMIWPODFFWAJRG-HNNXBMFYSA-N 0 0 408.393 1.036 50 0 HDAARN CSCC[C@H](NC(=O)CN1C(=O)CC2(CCCC2)C1=O)c1nnc2ccccn21 ZINC000096118510 568698154 /nfs/dbraw/zinc/69/81/54/568698154.db2.gz LIJMVFAPEHZECE-AWEZNQCLSA-N 0 0 415.519 1.959 50 0 HDAARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124269 568700823 /nfs/dbraw/zinc/70/08/23/568700823.db2.gz KOGMYMUFBWBODG-UHFFFAOYSA-N 0 0 407.463 1.471 50 0 HDAARN COc1ccc2cnn(CC(=O)N[C@@H](C)c3nnc4ccccn43)c(=O)c2c1OC ZINC000096125582 568701421 /nfs/dbraw/zinc/70/14/21/568701421.db2.gz MALSRCPKLVAHMK-LBPRGKRZSA-N 0 0 408.418 1.334 50 0 HDAARN Cc1ccc(CNC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000096126942 568701556 /nfs/dbraw/zinc/70/15/56/568701556.db2.gz LQTCHGCXSLQHTH-PMACEKPBSA-N 0 0 400.567 1.733 50 0 HDAARN CCC(=O)N1C[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H](C(=O)NCCCOC)C1 ZINC000096211388 568704580 /nfs/dbraw/zinc/70/45/80/568704580.db2.gz BUDMFLQDHLKPSN-JKSUJKDBSA-N 0 0 408.495 1.817 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(OC)nc3)C2=O)cc1 ZINC000096221135 568704986 /nfs/dbraw/zinc/70/49/86/568704986.db2.gz KNRSNJFSVUEYEK-KRWDZBQOSA-N 0 0 412.446 1.981 50 0 biogenic HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3nccs3)C2=O)cc1OC ZINC000096221773 568705168 /nfs/dbraw/zinc/70/51/68/568705168.db2.gz MBGBNRBKTQMNOI-ZDUSSCGKSA-N 0 0 418.475 1.330 50 0 biogenic HDAARN CCOC(=O)N1CCC(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 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COC(=O)C1(CS(=O)(=O)N[C@H](c2nccn2C)c2ccc(OC)cc2)CCC1 ZINC000239762528 568730083 /nfs/dbraw/zinc/73/00/83/568730083.db2.gz CLWXOESHZGOMHH-INIZCTEOSA-N 0 0 407.492 1.781 50 0 HDAARN CC(C)(C)OC(=O)NCCCC(C)(C)NC(=O)CSCC(=O)N1CCOCC1 ZINC000242302456 568732511 /nfs/dbraw/zinc/73/25/11/568732511.db2.gz YSTDUWCVQYEIBH-UHFFFAOYSA-N 0 0 417.572 1.778 50 0 HDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000021682219 568738175 /nfs/dbraw/zinc/73/81/75/568738175.db2.gz CWCSJYMVNUDREO-UHFFFAOYSA-N 0 0 421.475 1.371 50 0 HDAARN CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000096377313 568740795 /nfs/dbraw/zinc/74/07/95/568740795.db2.gz OQZJAHLTCAITGI-UHFFFAOYSA-N 0 0 410.517 1.154 50 0 HDAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096377023 568740863 /nfs/dbraw/zinc/74/08/63/568740863.db2.gz YIMGJKXCOIBCBG-UHFFFAOYSA-N 0 0 408.398 1.351 50 0 HDAARN CCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(Cc3ccccc3)CC2)c1=O ZINC000096396676 568745224 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O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc2nsnc21 ZINC000019077035 568750404 /nfs/dbraw/zinc/75/04/04/568750404.db2.gz AHIIPSNALMKXSL-UHFFFAOYSA-N 0 0 423.545 1.698 50 0 HDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccccc1CC)c(=O)n2C ZINC000021723127 568750788 /nfs/dbraw/zinc/75/07/88/568750788.db2.gz XOTRAGZKJXREPV-UHFFFAOYSA-N 0 0 424.457 1.781 50 0 HDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C)c(C)c1)c(=O)n2C ZINC000021723122 568750831 /nfs/dbraw/zinc/75/08/31/568750831.db2.gz BFCMINKOWHNKAA-UHFFFAOYSA-N 0 0 424.457 1.836 50 0 HDAARN CN1C(=O)c2cc(C(=O)N3CCOCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021781176 568752675 /nfs/dbraw/zinc/75/26/75/568752675.db2.gz ZIMKKLJHPGXADW-NRFANRHFSA-N 0 0 417.510 1.039 50 0 HDAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nn2cnnc2)cc1 ZINC000000949184 568755367 /nfs/dbraw/zinc/75/53/67/568755367.db2.gz NQCRAARQNLIILG-SFHVURJKSA-N 0 0 413.459 1.173 50 0 HDAARN CC(C)CCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCc1ccccc1)N(C)C2=O ZINC000021876121 568756708 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COc1ccc(-n2nc(C(=O)Nc3cc(OC)ccc3OC)c(=O)n(C)c2=O)cc1 ZINC000035446260 569037226 /nfs/dbraw/zinc/03/72/26/569037226.db2.gz JTUUATAFVASHHC-UHFFFAOYSA-N 0 0 412.402 1.209 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CCCC1)OCC(=O)N2 ZINC000035449128 569037542 /nfs/dbraw/zinc/03/75/42/569037542.db2.gz RZJAFESBXHGOBM-OAHLLOKOSA-N 0 0 407.492 1.538 50 0 HDAARN O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCc1ccc(F)cc1 ZINC000035450580 569037697 /nfs/dbraw/zinc/03/76/97/569037697.db2.gz QTUGMODPHDMASG-UHFFFAOYSA-N 0 0 419.416 1.457 50 0 HDAARN C[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000035452226 569037743 /nfs/dbraw/zinc/03/77/43/569037743.db2.gz PSUYWTZTQVNWMU-NSHDSACASA-N 0 0 415.899 1.692 50 0 HDAARN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)n1 ZINC000035452452 569037756 /nfs/dbraw/zinc/03/77/56/569037756.db2.gz YJRQPQWYJNINQH-ZDUSSCGKSA-N 0 0 418.475 1.677 50 0 HDAARN Cc1ccc2c(c1)N[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)NS2(=O)=O ZINC000035462767 569038069 /nfs/dbraw/zinc/03/80/69/569038069.db2.gz KJMKVDFDMIOEQN-SFHVURJKSA-N 0 0 404.467 1.513 50 0 HDAARN CC1CCN(C(=O)Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)CC1 ZINC000006308190 569038575 /nfs/dbraw/zinc/03/85/75/569038575.db2.gz SPCGSTVZVSSQRA-UHFFFAOYSA-N 0 0 400.870 1.948 50 0 HDAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575619858 569038779 /nfs/dbraw/zinc/03/87/79/569038779.db2.gz MVJOXDGOEKGUGF-UHFFFAOYSA-N 0 0 422.514 1.988 50 0 HDAARN CCn1c(=O)c(-c2noc(C(=O)NC3CCCC3)n2)nn(-c2ccc(F)cc2)c1=O ZINC000035481713 569039493 /nfs/dbraw/zinc/03/94/93/569039493.db2.gz DPRGLIIIMHVNED-UHFFFAOYSA-N 0 0 414.397 1.276 50 0 HDAARN COc1ccc(CCNC(=O)[C@@H]2COCC(=O)N2Cc2cccs2)cc1OC ZINC000090608470 569042210 /nfs/dbraw/zinc/04/22/10/569042210.db2.gz AUCSCPWBKKAQNG-INIZCTEOSA-N 0 0 404.488 1.852 50 0 HDAARN Cc1cc(NC(=O)Cn2c(=O)cc(C)nc2N2CCN(c3ccccc3)CC2)no1 ZINC000090610163 569042657 /nfs/dbraw/zinc/04/26/57/569042657.db2.gz JKSRHSREHRYGOH-UHFFFAOYSA-N 0 0 408.462 1.813 50 0 HDAARN COC(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000090612692 569042863 /nfs/dbraw/zinc/04/28/63/569042863.db2.gz ICTFZBZCAUHJHU-HNNXBMFYSA-N 0 0 400.387 1.380 50 0 HDAARN CN(C)c1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000090611958 569043363 /nfs/dbraw/zinc/04/33/63/569043363.db2.gz FSICKFXYEDCBKU-LJQANCHMSA-N 0 0 410.474 1.668 50 0 HDAARN COc1ccc(C2=C(C)C(=O)N(CC(=O)NCc3ccccc3)S2(=O)=O)cc1 ZINC000035534590 569043428 /nfs/dbraw/zinc/04/34/28/569043428.db2.gz BXKJIISDOMZQSW-UHFFFAOYSA-N 0 0 400.456 1.915 50 0 HDAARN O=S(=O)(c1c(F)cccc1F)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 ZINC000006335891 569044229 /nfs/dbraw/zinc/04/42/29/569044229.db2.gz ADRRBARREVHIDW-GFCCVEGCSA-N 0 0 405.492 1.325 50 0 HDAARN C[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)C(=O)Nc1sccc1C(N)=O ZINC000012985698 569047753 /nfs/dbraw/zinc/04/77/53/569047753.db2.gz PBPGLWZPIQISMS-JTQLQIEISA-N 0 0 422.536 1.729 50 0 HDAARN O=C(C1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000013015763 569050842 /nfs/dbraw/zinc/05/08/42/569050842.db2.gz ZOGOLVVGYMWJAU-CQSZACIVSA-N 0 0 420.307 1.883 50 0 HDAARN COc1ccc(OC)c(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000013020743 569051175 /nfs/dbraw/zinc/05/11/75/569051175.db2.gz OKEIERJLJUZMLF-QFIPXVFZSA-N 0 0 409.442 1.714 50 0 HDAARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 ZINC000524729425 569051682 /nfs/dbraw/zinc/05/16/82/569051682.db2.gz SYJFTEHWCXFIGS-MXSMSXNCSA-N 0 0 410.474 1.361 50 0 biogenic HDAARN COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000001778967 569052593 /nfs/dbraw/zinc/05/25/93/569052593.db2.gz NHPQJJYGHDUQNF-UHFFFAOYSA-N 0 0 416.430 1.933 50 0 HDAARN CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c2ccccc2O1 ZINC000239306036 569054122 /nfs/dbraw/zinc/05/41/22/569054122.db2.gz GIJICFKHLYJCJF-QTPGKHNVSA-N 0 0 414.462 1.027 50 0 HDAARN CC1(C)CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc21 ZINC000241564226 569054785 /nfs/dbraw/zinc/05/47/85/569054785.db2.gz OSJZRDRWLHUKIU-VKJFTORMSA-N 0 0 404.532 1.951 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCCC[C@@H]3O)C2)cc1 ZINC000243932136 569055132 /nfs/dbraw/zinc/05/51/32/569055132.db2.gz BTHVEGRRLOFDSG-SNRMKQJTSA-N 0 0 410.536 1.858 50 0 HDAARN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)C1 ZINC000001862400 569056744 /nfs/dbraw/zinc/05/67/44/569056744.db2.gz MWORRPOWPJYJTC-CYBMUJFWSA-N 0 0 415.523 1.632 50 0 HDAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)[C@]12c1ccccc1NC2=O ZINC000001867376 569056749 /nfs/dbraw/zinc/05/67/49/569056749.db2.gz PBNUBEIHHNXYJI-HXUWFJFHSA-N 0 0 402.403 1.104 50 0 biogenic HDAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2OC)cc1 ZINC000054092235 569057067 /nfs/dbraw/zinc/05/70/67/569057067.db2.gz QEZMSAYHGFTPHB-ICSRJNTNSA-N 0 0 423.556 1.987 50 0 HDAARN CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(N)=O)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248376274 569057651 /nfs/dbraw/zinc/05/76/51/569057651.db2.gz CDAIJJBBUPFJTH-ZGXWSNOMSA-N 0 0 401.422 1.890 50 0 HDAARN CN(C)S(=O)(=O)c1cc(C(=O)NOCc2cccnc2)ccc1Br ZINC000089319523 569058515 /nfs/dbraw/zinc/05/85/15/569058515.db2.gz MCFZQNQIXMHZQJ-UHFFFAOYSA-N 0 0 414.281 1.956 50 0 HDAARN O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000217789306 569060204 /nfs/dbraw/zinc/06/02/04/569060204.db2.gz QPKZYTJIVKHVII-ZETCQYMHSA-N 0 0 411.324 1.969 50 0 HDAARN COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1S(N)(=O)=O ZINC000006507258 569061742 /nfs/dbraw/zinc/06/17/42/569061742.db2.gz NEHPPGIZKJUTRK-UHFFFAOYSA-N 0 0 412.489 1.454 50 0 HDAARN Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006527374 569063093 /nfs/dbraw/zinc/06/30/93/569063093.db2.gz GWCAULWTTZSVFO-UHFFFAOYSA-N 0 0 418.928 1.077 50 0 HDAARN Cc1csc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000006529794 569063438 /nfs/dbraw/zinc/06/34/38/569063438.db2.gz KBJUIEIYGDHCEY-UHFFFAOYSA-N 0 0 420.520 1.646 50 0 HDAARN CCOc1ccc(CCNC(=O)CN2C(=O)N[C@@H](CCSC)C2=O)cc1OCC ZINC000006539237 569064482 /nfs/dbraw/zinc/06/44/82/569064482.db2.gz IPDLCUPISVWQHL-HNNXBMFYSA-N 0 0 423.535 1.816 50 0 HDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)N[C@@H]1CCCc2ccccc21 ZINC000006539984 569064511 /nfs/dbraw/zinc/06/45/11/569064511.db2.gz YRNCRONWRYLFST-LJQANCHMSA-N 0 0 415.515 1.827 50 0 HDAARN O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc2c(c1)CCC2 ZINC000006540000 569064536 /nfs/dbraw/zinc/06/45/36/569064536.db2.gz WGLGTGPRPLJVIK-UHFFFAOYSA-N 0 0 401.488 1.760 50 0 HDAARN CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000006541558 569064723 /nfs/dbraw/zinc/06/47/23/569064723.db2.gz XLYWUHAIILZACC-UHFFFAOYSA-N 0 0 408.476 1.697 50 0 HDAARN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006578642 569066976 /nfs/dbraw/zinc/06/69/76/569066976.db2.gz KBPWXKSFKPSHFX-CQSZACIVSA-N 0 0 419.528 1.661 50 0 HDAARN CCn1c(SCC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)nnc1-c1ccco1 ZINC000006589615 569068138 /nfs/dbraw/zinc/06/81/38/569068138.db2.gz CJAVJMHYIJYYNG-OAHLLOKOSA-N 0 0 413.459 1.930 50 0 HDAARN C[C@@H](NC(=O)CCCn1c2ccccc2oc1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000006602406 569069929 /nfs/dbraw/zinc/06/99/29/569069929.db2.gz PBGFEMCLQWHLRU-CYBMUJFWSA-N 0 0 403.460 1.900 50 0 HDAARN Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](c4nnc5ccccn54)C3)cc12 ZINC000089568231 569070388 /nfs/dbraw/zinc/07/03/88/569070388.db2.gz VWAUEGZLOVHQJZ-AWEZNQCLSA-N 0 0 411.491 1.888 50 0 HDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccc1)c(=O)n2C ZINC000064604644 569070853 /nfs/dbraw/zinc/07/08/53/569070853.db2.gz KCKOOYPNAPNBMF-ZDUSSCGKSA-N 0 0 410.430 1.068 50 0 HDAARN COCCN(C(=O)Cc1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000006606501 569071272 /nfs/dbraw/zinc/07/12/72/569071272.db2.gz ZUSVHTSYPSGZQC-UHFFFAOYSA-N 0 0 414.487 1.451 50 0 HDAARN C[C@H](NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000004763321 569071491 /nfs/dbraw/zinc/07/14/91/569071491.db2.gz ICHQDJFVLNIGLT-YJBOKZPZSA-N 0 0 400.431 1.522 50 0 HDAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000006608456 569071918 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/nfs/dbraw/zinc/29/13/30/569291330.db2.gz WLFUKIIJUFMPKE-UHFFFAOYSA-N 0 0 408.484 1.815 50 0 HDAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2ccncc2)no1 ZINC000252532921 569292773 /nfs/dbraw/zinc/29/27/73/569292773.db2.gz FLNZMPRDXAJQKV-OAHLLOKOSA-N 0 0 406.402 1.928 50 0 HDAARN CC(C)C[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000252536254 569292840 /nfs/dbraw/zinc/29/28/40/569292840.db2.gz HZRAZQHJQJPYLV-LSDHHAIUSA-N 0 0 405.451 1.344 50 0 HDAARN CC[C@H](C)[C@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]1O ZINC000252536776 569292978 /nfs/dbraw/zinc/29/29/78/569292978.db2.gz JOFHZOMLDCBFMW-XCGRYBKZSA-N 0 0 423.510 1.076 50 0 HDAARN Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)NCCN1CCOCC1 ZINC000252552430 569294338 /nfs/dbraw/zinc/29/43/38/569294338.db2.gz USCBNLWXPXAJRB-UHFFFAOYSA-N 0 0 401.442 1.417 50 0 HDAARN Cc1nc(C)n(C[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 ZINC000007616196 569295898 /nfs/dbraw/zinc/29/58/98/569295898.db2.gz RYXCFSHTVGNLFG-HNNXBMFYSA-N 0 0 405.524 1.373 50 0 HDAARN COCCNC(=O)Cn1c2ccccc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000037398874 569297289 /nfs/dbraw/zinc/29/72/89/569297289.db2.gz AXIGAVWSCNEKPE-UHFFFAOYSA-N 0 0 421.375 1.934 50 0 HDAARN COc1ccccc1[C@@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)N(C)C ZINC000007671196 569300047 /nfs/dbraw/zinc/30/00/47/569300047.db2.gz VOQAFDQKLOYAFO-GOSISDBHSA-N 0 0 405.520 1.978 50 0 HDAARN CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2cc(OC)ccc2OC)c(=O)[nH]c1=O ZINC000007718494 569302047 /nfs/dbraw/zinc/30/20/47/569302047.db2.gz WSZZDMORRLVODY-HNNXBMFYSA-N 0 0 416.478 1.566 50 0 HDAARN Cc1cc(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000007735452 569304421 /nfs/dbraw/zinc/30/44/21/569304421.db2.gz JZMRFTVBWVTKNI-SNVBAGLBSA-N 0 0 401.828 1.485 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000007758246 569307213 /nfs/dbraw/zinc/30/72/13/569307213.db2.gz MEAPZKDZZMZAQB-UHFFFAOYSA-N 0 0 422.507 1.617 50 0 HDAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000007777221 569308568 /nfs/dbraw/zinc/30/85/68/569308568.db2.gz XWOCIQFKKYXBLB-ZIAGYGMSSA-N 0 0 415.895 1.920 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000007782190 569310089 /nfs/dbraw/zinc/31/00/89/569310089.db2.gz ZUVNYFKMTIWQNA-UHFFFAOYSA-N 0 0 415.471 1.260 50 0 HDAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc32)ccc1C ZINC000002222874 569313277 /nfs/dbraw/zinc/31/32/77/569313277.db2.gz SCNANPLSNGDYJM-UHFFFAOYSA-N 0 0 415.471 1.750 50 0 HDAARN COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(F)cc4)c(=O)n3C2=O)cc1 ZINC000066091477 569314540 /nfs/dbraw/zinc/31/45/40/569314540.db2.gz KOSBTFXPVRTJEW-UHFFFAOYSA-N 0 0 411.393 1.497 50 0 HDAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000007876570 569315004 /nfs/dbraw/zinc/31/50/04/569315004.db2.gz MZHHPJPOBCSOPM-YPMHNXCESA-N 0 0 407.521 1.459 50 0 HDAARN COCc1nnc(-c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)[nH]1 ZINC000253400224 569365511 /nfs/dbraw/zinc/36/55/11/569365511.db2.gz DSMUSDZWVXVVGF-INIZCTEOSA-N 0 0 420.429 1.697 50 0 biogenic HDAARN COCCN1C(=O)CN(C2CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)C1=O ZINC000253404533 569365871 /nfs/dbraw/zinc/36/58/71/569365871.db2.gz RCKWDYAJFLJIRN-UHFFFAOYSA-N 0 0 415.446 1.957 50 0 HDAARN CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000054993444 569374717 /nfs/dbraw/zinc/37/47/17/569374717.db2.gz MQOIJTZZDKJRFS-OAHLLOKOSA-N 0 0 414.597 1.940 50 0 HDAARN CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 ZINC000002336434 569375992 /nfs/dbraw/zinc/37/59/92/569375992.db2.gz NLQNTCVUQQRBKD-CQSZACIVSA-N 0 0 401.467 1.004 50 0 HDAARN C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106858462 569380794 /nfs/dbraw/zinc/38/07/94/569380794.db2.gz JSJFQKCWZPYRGL-GUDVDZBRSA-N 0 0 418.557 1.953 50 0 HDAARN COC(=O)C1=CNC(=O)C([C@H](CC(N)=O)c2cc(OC)c(OC)c(OC)c2)C1=O ZINC000253623865 569383389 /nfs/dbraw/zinc/38/33/89/569383389.db2.gz RJVSWRQUJZCHKK-SNVBAGLBSA-N 0 0 406.391 1.313 50 0 biogenic HDAARN Cn1ccsc1=NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000254311655 569387586 /nfs/dbraw/zinc/38/75/86/569387586.db2.gz WRCYQXPAEYSETJ-UHFFFAOYSA-N 0 0 401.897 1.502 50 0 HDAARN C[C@@H]1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2)C1 ZINC000012289091 569400324 /nfs/dbraw/zinc/40/03/24/569400324.db2.gz NGCUTFYRQOGFJS-HUUCEWRRSA-N 0 0 413.478 1.100 50 0 HDAARN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000012880298 569404448 /nfs/dbraw/zinc/40/44/48/569404448.db2.gz WBDDUCMMDSSUBK-FAODYONGSA-N 0 0 419.437 1.785 50 0 biogenic HDAARN C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012909689 569404908 /nfs/dbraw/zinc/40/49/08/569404908.db2.gz HQBZCVRMUWEEBA-HZPDHXFCSA-N 0 0 422.503 1.934 50 0 HDAARN NS(=O)(=O)c1cccc(NC(=O)CCN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000028893342 569414186 /nfs/dbraw/zinc/41/41/86/569414186.db2.gz FUOYEOGJJXLKHN-UHFFFAOYSA-N 0 0 416.547 1.523 50 0 HDAARN CCOc1ccc(C=CC(=O)OCC(=O)NN2C(=O)N[C@](C)(CC)C2=O)cc1OC ZINC000019054819 569414200 /nfs/dbraw/zinc/41/42/00/569414200.db2.gz CNDONZIMCXKRLO-CSNYQSHPSA-N 0 0 419.434 1.402 50 0 HDAARN C[C@H](Nc1cc(N[C@@H](C)C2(S(C)(=O)=O)CC2)ncn1)C1(S(C)(=O)=O)CC1 ZINC000328592895 569415376 /nfs/dbraw/zinc/41/53/76/569415376.db2.gz IZIRWQZEGZCZEE-RYUDHWBXSA-N 0 0 402.542 1.232 50 0 HDAARN COC(=O)[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000019301146 569415710 /nfs/dbraw/zinc/41/57/10/569415710.db2.gz HXZGSGMQZHHVEH-MHORFTMASA-N 0 0 403.456 1.570 50 0 HDAARN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCc4cc(F)ccc43)c2)nn1 ZINC000328596578 569416121 /nfs/dbraw/zinc/41/61/21/569416121.db2.gz DQWOJAKXAWRNDM-UHFFFAOYSA-N 0 0 409.377 1.721 50 0 HDAARN COc1ccc([C@@H](NC(=O)CN2CCN(Cc3nnc(C)[nH]3)CC2)C(C)C)cc1 ZINC000078822141 569420632 /nfs/dbraw/zinc/42/06/32/569420632.db2.gz NMBWFSGEEKAFPW-NRFANRHFSA-N 0 0 400.527 1.753 50 0 HDAARN CCOC(=O)Cc1csc(NC(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)n1 ZINC000078947496 569421970 /nfs/dbraw/zinc/42/19/70/569421970.db2.gz KIZLKRNCUVEEDY-ZDUSSCGKSA-N 0 0 423.491 1.936 50 0 HDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000079097037 569427268 /nfs/dbraw/zinc/42/72/68/569427268.db2.gz YJDRIXBYLJGRMA-LSDHHAIUSA-N 0 0 401.326 1.889 50 0 HDAARN CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@H]1C(=O)NCCCNS(C)(=O)=O ZINC000079098490 569427400 /nfs/dbraw/zinc/42/74/00/569427400.db2.gz UCXPWKSEHXAQHC-CABCVRRESA-N 0 0 405.561 1.906 50 0 HDAARN NC(=O)NC(=O)C1CCC(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 ZINC000079105929 569427698 /nfs/dbraw/zinc/42/76/98/569427698.db2.gz KFEHJNSZKUKRFV-UHFFFAOYSA-N 0 0 420.473 1.963 50 0 HDAARN Cc1nc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(-c2cccc(F)c2)s1 ZINC000079502163 569432831 /nfs/dbraw/zinc/43/28/31/569432831.db2.gz ICMPSIQRWDWVJJ-UHFFFAOYSA-N 0 0 412.512 1.822 50 0 HDAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)C(=O)NC1CCCC1 ZINC000010219927 571047434 /nfs/dbraw/zinc/04/74/34/571047434.db2.gz PBQQBBOXNYMYBI-UHFFFAOYSA-N 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571090881 /nfs/dbraw/zinc/09/08/81/571090881.db2.gz MPHLFEOJXQCVQX-UHFFFAOYSA-N 0 0 415.431 1.027 50 0 HDAARN Cc1ccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1N(C)C ZINC000008609901 571094122 /nfs/dbraw/zinc/09/41/22/571094122.db2.gz GINXJWRTIKCFRE-UHFFFAOYSA-N 0 0 414.491 1.614 50 0 HDAARN Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1C ZINC000008671340 571100444 /nfs/dbraw/zinc/10/04/44/571100444.db2.gz NZAHCLKSIKVPQZ-UHFFFAOYSA-N 0 0 424.486 1.813 50 0 aggregator HDAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000008709806 571104824 /nfs/dbraw/zinc/10/48/24/571104824.db2.gz ZTGBTNGKDWQSIR-UHFFFAOYSA-N 0 0 415.519 1.893 50 0 HDAARN Cc1cccc(-c2nnc(SCCn3cnc4c3c(=O)n(C)c(=O)n4C)n2C)c1 ZINC000008718591 571106074 /nfs/dbraw/zinc/10/60/74/571106074.db2.gz OKKCDGBWGHLLAD-UHFFFAOYSA-N 0 0 411.491 1.330 50 0 HDAARN CCOC(=O)Cn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000008725043 571108053 /nfs/dbraw/zinc/10/80/53/571108053.db2.gz JTGBWZQFIQFKFP-UHFFFAOYSA-N 0 0 423.473 1.686 50 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1.370 50 0 HDAARN O=C(N[C@H]1CCCC2(C1)OCCO2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000096006967 568683255 /nfs/dbraw/zinc/68/32/55/568683255.db2.gz WRAACKZAGCQIIN-GJZGRUSLSA-N 0 0 402.447 1.613 50 0 HDAARN CCNc1cc(F)ccc1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000096011773 568684249 /nfs/dbraw/zinc/68/42/49/568684249.db2.gz KDNUVRVJVMOZHY-UHFFFAOYSA-N 0 0 422.482 1.994 50 0 HDAARN COc1ccc2nnc(CCCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2n1 ZINC000096116504 568696191 /nfs/dbraw/zinc/69/61/91/568696191.db2.gz LMYOVMLUYBRMKW-CABCVRRESA-N 0 0 408.462 1.263 50 0 biogenic HDAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)sc1C ZINC000096116854 568696488 /nfs/dbraw/zinc/69/64/88/568696488.db2.gz MVRFVLODUQHTTD-ZDUSSCGKSA-N 0 0 416.459 1.730 50 0 HDAARN O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122122 568699993 /nfs/dbraw/zinc/69/99/93/568699993.db2.gz BELUOIDSAKJMDN-UHFFFAOYSA-N 0 0 415.427 1.838 50 0 HDAARN Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)cc1 ZINC000096124240 568700708 /nfs/dbraw/zinc/70/07/08/568700708.db2.gz BWFYBTLYSRZIAD-MDWZMJQESA-N 0 0 411.491 1.488 50 0 HDAARN COc1cc(/C=C\C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc(Cl)c1OC ZINC000096129257 568701653 /nfs/dbraw/zinc/70/16/53/568701653.db2.gz CFIFWPYPKKFRKH-WAYWQWQTSA-N 0 0 423.897 1.566 50 0 HDAARN O=C(CN1CCN(CC(=O)NCc2ccccc2Cl)CC1)NCc1ccccc1 ZINC000021434123 568702074 /nfs/dbraw/zinc/70/20/74/568702074.db2.gz MVUGCOGMTXIZON-UHFFFAOYSA-N 0 0 414.937 1.890 50 0 HDAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1ccccc1 ZINC000096222715 568705755 /nfs/dbraw/zinc/70/57/55/568705755.db2.gz BDERIHXCCOFIRL-KRWDZBQOSA-N 0 0 409.442 1.975 50 0 biogenic HDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000096223644 568706283 /nfs/dbraw/zinc/70/62/83/568706283.db2.gz ZMQQFVDARNKBBS-INIZCTEOSA-N 0 0 410.430 1.075 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4n3C)C2=O)cc1 ZINC000096231200 568707091 /nfs/dbraw/zinc/70/70/91/568707091.db2.gz 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Cn1c2ncn(CC(=O)N(Cc3ccccc3)c3ccccn3)c2c(=O)n(C)c1=O ZINC000000851786 568712325 /nfs/dbraw/zinc/71/23/25/568712325.db2.gz FYWLRYXTDCBFCZ-UHFFFAOYSA-N 0 0 404.430 1.062 50 0 HDAARN CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000096274170 568714039 /nfs/dbraw/zinc/71/40/39/568714039.db2.gz GFLOBENFFDKUOU-LLVKDONJSA-N 0 0 406.489 1.956 50 0 HDAARN CCNC(=O)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC000229749858 568715056 /nfs/dbraw/zinc/71/50/56/568715056.db2.gz ZPBJFKYBTDCBGU-WFASDCNBSA-N 0 0 400.882 1.676 50 0 HDAARN CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCCOC)C2)[C@H](c2cccc(C)c2)NC1=O ZINC000096288254 568719414 /nfs/dbraw/zinc/71/94/14/568719414.db2.gz FKWXEFXCVBTZBU-SFHVURJKSA-N 0 0 414.506 1.719 50 0 HDAARN COc1ccccc1CCNC(=O)Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1 ZINC000012422870 568721347 /nfs/dbraw/zinc/72/13/47/568721347.db2.gz WLRKUJKBUOZPCT-AWEZNQCLSA-N 0 0 402.476 1.270 50 0 HDAARN COc1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 ZINC000021598932 568722766 /nfs/dbraw/zinc/72/27/66/568722766.db2.gz LUVHIERIKKVXRS-KRWDZBQOSA-N 0 0 417.439 1.700 50 0 HDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccn(C)n2)CC1 ZINC000021631034 568724918 /nfs/dbraw/zinc/72/49/18/568724918.db2.gz XWCSSIWENZRIOE-UHFFFAOYSA-N 0 0 406.464 1.246 50 0 HDAARN CCc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)N2CCOCC2)c1=O ZINC000096318237 568727156 /nfs/dbraw/zinc/72/71/56/568727156.db2.gz WNTNMLUSFJJMHO-UHFFFAOYSA-N 0 0 407.470 1.882 50 0 HDAARN C[C@H](C(=O)NCc1cccs1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000055528300 568727313 /nfs/dbraw/zinc/72/73/13/568727313.db2.gz XHJQANLISXOFGZ-MRXNPFEDSA-N 0 0 402.568 1.889 50 0 HDAARN NC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2ccc(C(F)(F)F)cc2)[C@H]1C(N)=O ZINC000096318963 568727544 /nfs/dbraw/zinc/72/75/44/568727544.db2.gz MMUPTPZBDNUGPH-DJLDLDEBSA-N 0 0 403.407 1.648 50 0 HDAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3oc2=O)no1 ZINC000096322116 568729717 /nfs/dbraw/zinc/72/97/17/568729717.db2.gz BEFKXEPOADJTTH-LLVKDONJSA-N 0 0 408.436 1.046 50 0 HDAARN COC(=O)c1cnn(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)c1N ZINC000021652222 568729942 /nfs/dbraw/zinc/72/99/42/568729942.db2.gz MIMXFMZXYAXMAR-UHFFFAOYSA-N 0 0 406.446 1.599 50 0 HDAARN C[C@@H]1CCC[C@@H](C)C1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000241837551 568731701 /nfs/dbraw/zinc/73/17/01/568731701.db2.gz SKZVOLADBPYCEG-HUUCEWRRSA-N 0 0 416.565 1.811 50 0 HDAARN CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000242164639 568732259 /nfs/dbraw/zinc/73/22/59/568732259.db2.gz WWQHMKCEXQFNBL-UHFFFAOYSA-N 0 0 406.464 1.268 50 0 HDAARN CCOc1ccc(OC[C@H](O)CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)cc1 ZINC000242273532 568732576 /nfs/dbraw/zinc/73/25/76/568732576.db2.gz YDNKABBEMTWDKQ-PSUVCQILSA-N 0 0 407.536 1.847 50 0 HDAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000018748266 568739135 /nfs/dbraw/zinc/73/91/35/568739135.db2.gz ZVJJFTGMMNZCAV-UHFFFAOYSA-N 0 0 400.416 1.520 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc3c(c2)CCN3C)cc1 ZINC000096362483 568739355 /nfs/dbraw/zinc/73/93/55/568739355.db2.gz IWCMZSIUVDADMR-IBGZPJMESA-N 0 0 403.504 1.393 50 0 HDAARN COc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1S(=O)(=O)N(C)C ZINC000018838465 568742344 /nfs/dbraw/zinc/74/23/44/568742344.db2.gz CKRYOZQUOZMVKZ-MRXNPFEDSA-N 0 0 404.444 1.666 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccn(C)n3)CC2=O)cc1 ZINC000018948965 568744010 /nfs/dbraw/zinc/74/40/10/568744010.db2.gz KRPWITPUQGAMDE-CQSZACIVSA-N 0 0 419.507 1.442 50 0 HDAARN CC(C)n1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccn3)CC2)c1=O ZINC000096396691 568745239 /nfs/dbraw/zinc/74/52/39/568745239.db2.gz IWCIWJYWNKSFJF-UHFFFAOYSA-N 0 0 400.464 1.497 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)s1 ZINC000015057236 568748798 /nfs/dbraw/zinc/74/87/98/568748798.db2.gz PZMVQHCMIBYBHA-UHFFFAOYSA-N 0 0 419.528 1.659 50 0 HDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1cccc(CC)c1)c(=O)n2C ZINC000021723124 568750778 /nfs/dbraw/zinc/75/07/78/568750778.db2.gz TXRDEMCJSGHMJK-UHFFFAOYSA-N 0 0 424.457 1.781 50 0 HDAARN CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C)cc1)c(=O)n2C ZINC000021723174 568750791 /nfs/dbraw/zinc/75/07/91/568750791.db2.gz YVOUICDNMAQXEU-UHFFFAOYSA-N 0 0 410.430 1.527 50 0 HDAARN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1cccc2nsnc21 ZINC000019079038 568751988 /nfs/dbraw/zinc/75/19/88/568751988.db2.gz SAEDLAPVSXYSED-SNVBAGLBSA-N 0 0 412.518 1.720 50 0 HDAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3ccccc3)CC2)C1=O ZINC000021842030 568754750 /nfs/dbraw/zinc/75/47/50/568754750.db2.gz QXWBJLDQVPFYBC-HSZRJFAPSA-N 0 0 422.485 1.958 50 0 HDAARN CCOC(=O)N1CCN(C(=O)COC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000096489822 568754949 /nfs/dbraw/zinc/75/49/49/568754949.db2.gz FJUSYYKPYZHBRE-XQRVVYSFSA-N 0 0 415.240 1.899 50 0 HDAARN C[C@]1(C(=O)NC2CCCC2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 ZINC000021869859 568756278 /nfs/dbraw/zinc/75/62/78/568756278.db2.gz UFIHDCNKFXQRRA-LJQANCHMSA-N 0 0 411.499 1.247 50 0 HDAARN CCc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021869865 568756332 /nfs/dbraw/zinc/75/63/32/568756332.db2.gz HAKBAYBSUQQKLE-OAQYLSRUSA-N 0 0 421.563 1.670 50 0 HDAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCc3ccccn3)cc2C(=O)N1C ZINC000021875629 568756684 /nfs/dbraw/zinc/75/66/84/568756684.db2.gz SPDPEWQAAGSHNJ-NRFANRHFSA-N 0 0 412.494 1.215 50 0 HDAARN CN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876039 568756768 /nfs/dbraw/zinc/75/67/68/568756768.db2.gz PUBMSUVJSQHJHQ-JOCHJYFZSA-N 0 0 409.490 1.716 50 0 HDAARN CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2cccc(OC)c2)cn1C ZINC000021882115 568757441 /nfs/dbraw/zinc/75/74/41/568757441.db2.gz ZRHLWFIHVWTWJM-UHFFFAOYSA-N 0 0 409.464 1.470 50 0 HDAARN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000021888337 568758961 /nfs/dbraw/zinc/75/89/61/568758961.db2.gz SQXSFLCDQXSBOU-UHFFFAOYSA-N 0 0 402.428 1.737 50 0 HDAARN CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccccn1 ZINC000021919502 568760630 /nfs/dbraw/zinc/76/06/30/568760630.db2.gz IZQOIBNDAXYXIC-JOCHJYFZSA-N 0 0 405.458 1.313 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VQVDVYWOEDKRGT-SNVBAGLBSA-N 0 0 408.245 1.934 50 0 HDAARN NC1=C2C(=O)Oc3ccccc3[C@@H]2[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2S1 ZINC000107427106 568418419 /nfs/dbraw/zinc/41/84/19/568418419.db2.gz WZWNWPZKJGXCQD-HLLBOEOZSA-N 0 0 422.418 1.893 50 0 HDAARN COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000108380993 568418556 /nfs/dbraw/zinc/41/85/56/568418556.db2.gz FPBJNDIMDHHJQR-IRXDYDNUSA-N 0 0 404.442 1.911 50 0 HDAARN Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000046027348 568424375 /nfs/dbraw/zinc/42/43/75/568424375.db2.gz DUEOOMMTYXIHMM-UHFFFAOYSA-N 0 0 416.547 1.571 50 0 HDAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)NCCN3CCOCC3)cc(C)c12 ZINC000046016778 568424416 /nfs/dbraw/zinc/42/44/16/568424416.db2.gz RPIUPOZPCKPLPB-UHFFFAOYSA-N 0 0 409.490 1.865 50 0 HDAARN Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1 ZINC000046036128 568425260 /nfs/dbraw/zinc/42/52/60/568425260.db2.gz ZUOZEBRQMZMVFU-UHFFFAOYSA-N 0 0 416.425 1.976 50 0 HDAARN C[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)N1CCOCC1 ZINC000047857331 568431379 /nfs/dbraw/zinc/43/13/79/568431379.db2.gz LTEDESDDXPZQHO-GDBMZVCRSA-N 0 0 413.440 1.891 50 0 HDAARN CCN1CCN(c2nc(F)c3c(c2F)S(=O)(=O)CCN3C[C@H]2CCCO2)CC1 ZINC000024616257 568432316 /nfs/dbraw/zinc/43/23/16/568432316.db2.gz YGJKCRORSFNESZ-CYBMUJFWSA-N 0 0 416.494 1.274 50 0 HDAARN CN(C)c1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl ZINC000048207724 568432458 /nfs/dbraw/zinc/43/24/58/568432458.db2.gz NCTPNDLNOHTLPN-LBPRGKRZSA-N 0 0 412.899 1.510 50 0 HDAARN CCOCCOCc1cccc(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000048237954 568433167 /nfs/dbraw/zinc/43/31/67/568433167.db2.gz QLRMLCWONRVQFS-UHFFFAOYSA-N 0 0 412.446 1.438 50 0 HDAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000048288611 568434850 /nfs/dbraw/zinc/43/48/50/568434850.db2.gz DOIDULDTPHRMIG-IBGZPJMESA-N 0 0 403.446 1.507 50 0 HDAARN O=S(=O)(c1cccnc1)N1CCN(Cc2noc(-c3ccccc3O)n2)CC1 ZINC000048302554 568437725 /nfs/dbraw/zinc/43/77/25/568437725.db2.gz IIQOQGXZZIJTEW-UHFFFAOYSA-N 0 0 401.448 1.344 50 0 HDAARN CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000048314870 568438070 /nfs/dbraw/zinc/43/80/70/568438070.db2.gz DIHSCUSZWVYTPW-INIZCTEOSA-N 0 0 422.551 1.861 50 0 HDAARN O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000048326397 568439708 /nfs/dbraw/zinc/43/97/08/568439708.db2.gz VWZRJNXJWJVLGU-CVEARBPZSA-N 0 0 405.520 1.450 50 0 HDAARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000048355733 568441487 /nfs/dbraw/zinc/44/14/87/568441487.db2.gz RLXOOUNNHWZFIK-CQSZACIVSA-N 0 0 412.515 1.925 50 0 HDAARN NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000048364532 568442033 /nfs/dbraw/zinc/44/20/33/568442033.db2.gz XZSJTJCZHMRODI-GOSISDBHSA-N 0 0 401.488 1.298 50 0 HDAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc(Cn2cncn2)cc1 ZINC000024631819 568443423 /nfs/dbraw/zinc/44/34/23/568443423.db2.gz DDNLDDKHXDIVBD-BQFCYCMXSA-N 0 0 400.508 1.991 50 0 biogenic HDAARN COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)NCCOc2ccc(F)cc2)C1 ZINC000049030528 568445737 /nfs/dbraw/zinc/44/57/37/568445737.db2.gz FTASKTFGDNPWKB-AWEZNQCLSA-N 0 0 404.442 1.615 50 0 HDAARN CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O ZINC000049004139 568446611 /nfs/dbraw/zinc/44/66/11/568446611.db2.gz WXEISKDCWMVCPR-UHFFFAOYSA-N 0 0 408.414 1.443 50 0 HDAARN COc1ccc(CNC(=O)Cn2nc3c(N4C[C@H](C)C[C@H](C)C4)nccn3c2=O)cc1 ZINC000049400314 568447493 /nfs/dbraw/zinc/44/74/93/568447493.db2.gz MLYUTRGQKAAQQW-IYBDPMFKSA-N 0 0 424.505 1.698 50 0 HDAARN COc1ccccc1CNC(=O)Cn1nc2c(N3CCCCCC3)nccn2c1=O ZINC000049399991 568447519 /nfs/dbraw/zinc/44/75/19/568447519.db2.gz BRUSERQZHIVRDJ-UHFFFAOYSA-N 0 0 410.478 1.596 50 0 HDAARN CCOC(=O)C1CCN(C(=O)CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000049388200 568448914 /nfs/dbraw/zinc/44/89/14/568448914.db2.gz XHAXFMYNVHFJBM-UHFFFAOYSA-N 0 0 403.435 1.459 50 0 HDAARN O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)N1CCCc2ccccc21 ZINC000049408897 568449483 /nfs/dbraw/zinc/44/94/83/568449483.db2.gz VJVISRFTSIDGLR-UHFFFAOYSA-N 0 0 401.488 1.612 50 0 HDAARN CN(C)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)cc1 ZINC000049408879 568449499 /nfs/dbraw/zinc/44/94/99/568449499.db2.gz AQGNIHDMBSRBAW-UHFFFAOYSA-N 0 0 404.492 1.338 50 0 HDAARN CN(C(=O)Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)c1ccc(F)cc1 ZINC000049409022 568449582 /nfs/dbraw/zinc/44/95/82/568449582.db2.gz NSYADXGQIBPMBF-UHFFFAOYSA-N 0 0 407.467 1.825 50 0 HDAARN O=C(c1cn(-c2cc(N3CCCCC3)ncn2)cn1)N1CCN(c2ncccn2)CC1 ZINC000049411189 568450051 /nfs/dbraw/zinc/45/00/51/568450051.db2.gz NRPGXHRAIGRCEE-UHFFFAOYSA-N 0 0 419.493 1.405 50 0 HDAARN Cn1cccc(C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1=O ZINC000049487151 568450877 /nfs/dbraw/zinc/45/08/77/568450877.db2.gz CTKGDNULEAUYJN-CQSZACIVSA-N 0 0 409.533 1.810 50 0 HDAARN COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCCN3CCOCC3)n2)c1 ZINC000049547248 568451449 /nfs/dbraw/zinc/45/14/49/568451449.db2.gz SEFLJVLMHVZWPL-UHFFFAOYSA-N 0 0 408.842 1.162 50 0 HDAARN COc1cc2cc(CCNS(=O)(=O)c3c(C)n[nH]c3C)c(=O)[nH]c2c(OC)c1 ZINC000049597353 568452425 /nfs/dbraw/zinc/45/24/25/568452425.db2.gz NYJQWTCXTNCNOC-UHFFFAOYSA-N 0 0 406.464 1.406 50 0 HDAARN O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NC[C@H]1CCCO1 ZINC000012233019 568454323 /nfs/dbraw/zinc/45/43/23/568454323.db2.gz ORSMHQFTHLBNMX-LSDHHAIUSA-N 0 0 411.487 1.914 50 0 HDAARN COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(F)cc2)cc1 ZINC000012234321 568454919 /nfs/dbraw/zinc/45/49/19/568454919.db2.gz LHGDDOVAKZQWJM-UHFFFAOYSA-N 0 0 409.421 1.910 50 0 HDAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)NCc1ccccc1Cl ZINC000012236028 568455071 /nfs/dbraw/zinc/45/50/71/568455071.db2.gz ZTYSAYNFLDKSSN-CQSZACIVSA-N 0 0 417.940 1.991 50 0 HDAARN O=C(CCN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)NC(=O)NCc1ccccc1 ZINC000012252277 568456338 /nfs/dbraw/zinc/45/63/38/568456338.db2.gz VQRFXPGSTNIOHI-JOCHJYFZSA-N 0 0 422.441 1.632 50 0 HDAARN COC(=O)c1cccc(NC(=O)COCC(=O)Nc2cccc(C(=O)OC)c2)c1 ZINC000024752105 568461376 /nfs/dbraw/zinc/46/13/76/568461376.db2.gz NGZNQVXSRFRVAA-UHFFFAOYSA-N 0 0 400.387 1.854 50 0 HDAARN CCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000024764213 568461763 /nfs/dbraw/zinc/46/17/63/568461763.db2.gz GKHRGQKCUBNCPV-UHFFFAOYSA-N 0 0 402.451 1.347 50 0 HDAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N1CCOCC1 ZINC000021156105 568462206 /nfs/dbraw/zinc/46/22/06/568462206.db2.gz ZBYRCQUPPBOCRM-GOSISDBHSA-N 0 0 400.479 1.470 50 0 HDAARN O=C(c1cc(Br)c[nH]1)N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000024777064 568462474 /nfs/dbraw/zinc/46/24/74/568462474.db2.gz QBPILHGUVRGWNC-UHFFFAOYSA-N 0 0 402.256 1.715 50 0 HDAARN COC(=O)c1cc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1Cl ZINC000024840158 568470703 /nfs/dbraw/zinc/47/07/03/568470703.db2.gz UKQMNJREWCQXLL-UHFFFAOYSA-N 0 0 404.853 1.575 50 0 HDAARN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000024871151 568473668 /nfs/dbraw/zinc/47/36/68/568473668.db2.gz ICOKPVPGZQUMSO-UHFFFAOYSA-N 0 0 406.446 1.857 50 0 HDAARN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000000785547 568476957 /nfs/dbraw/zinc/47/69/57/568476957.db2.gz FUGOERUBRLHBGO-UHFFFAOYSA-N 0 0 408.307 1.483 50 0 HDAARN CCOC(=O)C1CCN(C(=O)CN(c2ccccc2OCC)S(C)(=O)=O)CC1 ZINC000000785726 568476959 /nfs/dbraw/zinc/47/69/59/568476959.db2.gz NJZSALPZIFZFRF-UHFFFAOYSA-N 0 0 412.508 1.653 50 0 HDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1cccc2ncccc21 ZINC000024929685 568491409 /nfs/dbraw/zinc/49/14/09/568491409.db2.gz QKQVKGUBKIACTF-NUJGCVRESA-N 0 0 402.476 1.581 50 0 HDAARN COc1cc([C@@H](CC(=O)NCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604404959 568492553 /nfs/dbraw/zinc/49/25/53/568492553.db2.gz MSEIJRXHBMXRPL-CYBMUJFWSA-N 0 0 414.418 1.335 50 0 biogenic HDAARN Cc1noc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)n1 ZINC000604418470 568492863 /nfs/dbraw/zinc/49/28/63/568492863.db2.gz RFLKTNFJISDJFI-FQEVSTJZSA-N 0 0 417.425 1.852 50 0 HDAARN O=C(Cn1c2ccccc2c(=O)n(CC(=O)N2CCCCC2)c1=O)N1CCCCC1 ZINC000000811940 568493290 /nfs/dbraw/zinc/49/32/90/568493290.db2.gz XFGWXZYERTZJAA-UHFFFAOYSA-N 0 0 412.490 1.188 50 0 HDAARN CCOC(=O)N1CCN(C(=O)COC(=O)c2ccc(-c3nc(C)no3)cc2)CC1 ZINC000022829621 568499809 /nfs/dbraw/zinc/49/98/09/568499809.db2.gz GISVPJOJWHGFJV-UHFFFAOYSA-N 0 0 402.407 1.503 50 0 HDAARN O=C(Nc1ccc(N2CCCC2)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000031300378 568503361 /nfs/dbraw/zinc/50/33/61/568503361.db2.gz ZLJCPXYOXOJVER-MRXNPFEDSA-N 0 0 404.492 1.391 50 0 HDAARN O=S(=O)(Cc1ccccc1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 ZINC000023135078 568508507 /nfs/dbraw/zinc/50/85/07/568508507.db2.gz ZJQUTPALQJZBDG-UHFFFAOYSA-N 0 0 416.482 1.449 50 0 HDAARN O=C(CCNC(=O)C1(c2cccc(Cl)c2)CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032253442 568509299 /nfs/dbraw/zinc/50/92/99/568509299.db2.gz BWAMMGQRPBHXBB-MRXNPFEDSA-N 0 0 412.939 1.961 50 0 HDAARN CCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)N[C@@H](C)CC)c(=O)c3s2)C1 ZINC000033141271 568511491 /nfs/dbraw/zinc/51/14/91/568511491.db2.gz ZFRSDVMVSFMBLY-QWHCGFSZSA-N 0 0 420.539 1.120 50 0 HDAARN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(I)cc1 ZINC000024690206 568513388 /nfs/dbraw/zinc/51/33/88/568513388.db2.gz DALTUEPFJMZLDK-CYBMUJFWSA-N 0 0 422.288 1.835 50 0 HDAARN COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000000837320 568514834 /nfs/dbraw/zinc/51/48/34/568514834.db2.gz MHCZIQNTXMSDIJ-UHFFFAOYSA-N 0 0 419.455 1.756 50 0 HDAARN C[C@@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 ZINC000000838177 568515680 /nfs/dbraw/zinc/51/56/80/568515680.db2.gz ICEMPSFFMFHPLW-SNVBAGLBSA-N 0 0 422.283 1.037 50 0 HDAARN O=C(NC[C@@](O)(c1ccoc1)c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000390826144 568591084 /nfs/dbraw/zinc/59/10/84/568591084.db2.gz CTKIHCFYQZYSKZ-JOCHJYFZSA-N 0 0 423.425 1.990 50 0 HDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2CCN(C(=O)N(C)C)CC2)c1 ZINC000390832278 568592646 /nfs/dbraw/zinc/59/26/46/568592646.db2.gz YJFGBAHPKVATSK-UHFFFAOYSA-N 0 0 413.496 1.154 50 0 HDAARN COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C)CC3)c(C)o2)c1 ZINC000020242024 568596094 /nfs/dbraw/zinc/59/60/94/568596094.db2.gz DPMYYUQOWQQXAL-UHFFFAOYSA-N 0 0 407.492 1.347 50 0 HDAARN CCN1CCN(C(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1 ZINC000020242029 568596117 /nfs/dbraw/zinc/59/61/17/568596117.db2.gz XQLJXLUHRMCCKJ-UHFFFAOYSA-N 0 0 421.519 1.738 50 0 HDAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccs1 ZINC000020284996 568596895 /nfs/dbraw/zinc/59/68/95/568596895.db2.gz QDSPWCAPKRHDSK-MRXNPFEDSA-N 0 0 423.516 1.812 50 0 HDAARN C[C@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020287709 568597224 /nfs/dbraw/zinc/59/72/24/568597224.db2.gz HRPFBQREVSLFMK-MAUKXSAKSA-N 0 0 401.536 1.253 50 0 HDAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2cccnc2)CC1 ZINC000020287982 568597448 /nfs/dbraw/zinc/59/74/48/568597448.db2.gz QAHTZUPBVJBUKB-LPHOPBHVSA-N 0 0 415.563 1.643 50 0 HDAARN COc1ccc(NC(=O)c2nnc(CN3CCC(S(N)(=O)=O)CC3)s2)cc1 ZINC000095349112 568600471 /nfs/dbraw/zinc/60/04/71/568600471.db2.gz GXYSFXUWBQZCMG-UHFFFAOYSA-N 0 0 411.509 1.052 50 0 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HDAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCS(=O)(=O)CC1(C)C ZINC000225410333 568634865 /nfs/dbraw/zinc/63/48/65/568634865.db2.gz QIMHUGZWTCCYPV-UHFFFAOYSA-N 0 0 418.563 1.673 50 0 HDAARN Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000020611047 568637231 /nfs/dbraw/zinc/63/72/31/568637231.db2.gz GVZBCTQZBYHBOZ-XQNUDUSMSA-N 0 0 424.501 1.232 50 0 biogenic HDAARN O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000020614087 568637904 /nfs/dbraw/zinc/63/79/04/568637904.db2.gz MYYXWKPDJPUMPC-QGZVFWFLSA-N 0 0 415.421 1.683 50 0 HDAARN O=C(NCc1ccncc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000020614999 568638110 /nfs/dbraw/zinc/63/81/10/568638110.db2.gz PJHLPSCSUQZBQO-HNNXBMFYSA-N 0 0 419.484 1.684 50 0 HDAARN O=C(Nc1cccc(CN2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)c1)C1CCCCC1 ZINC000225473946 568641205 /nfs/dbraw/zinc/64/12/05/568641205.db2.gz BLGXRYCEJKRLAX-QGZVFWFLSA-N 0 0 419.503 1.767 50 0 HDAARN C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000020762007 568642503 /nfs/dbraw/zinc/64/25/03/568642503.db2.gz HRFRGUJKIXBONA-LLVKDONJSA-N 0 0 415.899 1.550 50 0 HDAARN O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000225497078 568643436 /nfs/dbraw/zinc/64/34/36/568643436.db2.gz XATRTPWKYYFQGC-CVEARBPZSA-N 0 0 404.511 1.539 50 0 HDAARN C[C@@H](O)CN(C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)[C@@H](C)CO ZINC000225516611 568645949 /nfs/dbraw/zinc/64/59/49/568645949.db2.gz OGBJZCUYUNUGDS-LSDHHAIUSA-N 0 0 424.494 1.759 50 0 HDAARN Cc1nn(CCCC(=O)NCCCN2CCOCC2)c(=O)c2cc3occc3n21 ZINC000020866444 568646731 /nfs/dbraw/zinc/64/67/31/568646731.db2.gz NYQHCKAUYYGSKN-UHFFFAOYSA-N 0 0 401.467 1.169 50 0 HDAARN Cc1cn2c(nc(C)c(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)c2=O)s1 ZINC000020921736 568651103 /nfs/dbraw/zinc/65/11/03/568651103.db2.gz ANSVYIOJZHCWIE-UHFFFAOYSA-N 0 0 422.488 1.113 50 0 HDAARN CC1=C(C(=O)NCc2ccccc2Cl)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020980985 568654581 /nfs/dbraw/zinc/65/45/81/568654581.db2.gz AXYAUOZPTTWSJJ-UHFFFAOYSA-N 0 0 412.895 1.624 50 0 biogenic HDAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000021019181 568658004 /nfs/dbraw/zinc/65/80/04/568658004.db2.gz UIEGLDNRLSGBCQ-UHFFFAOYSA-N 0 0 415.471 1.948 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC(C)C ZINC000021022255 568658245 /nfs/dbraw/zinc/65/82/45/568658245.db2.gz CTXDPMKTRRVMCX-LJQANCHMSA-N 0 0 407.536 1.911 50 0 HDAARN COCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(C)=O ZINC000021023100 568658633 /nfs/dbraw/zinc/65/86/33/568658633.db2.gz MHLOVNVCAAANJK-IBGZPJMESA-N 0 0 423.535 1.292 50 0 HDAARN O=C(NCCC[C@H]1CCCCO1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000095940553 568661777 /nfs/dbraw/zinc/66/17/77/568661777.db2.gz CDWURYPLYYZDRB-CQSZACIVSA-N 0 0 401.554 1.831 50 0 HDAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCCNC(=O)OC(C)(C)C)cc1 ZINC000225665036 568661912 /nfs/dbraw/zinc/66/19/12/568661912.db2.gz XKPUKSHQLGIPEF-LBPRGKRZSA-N 0 0 402.469 1.430 50 0 HDAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000095943749 568662764 /nfs/dbraw/zinc/66/27/64/568662764.db2.gz YLGWZXFNPOQGOC-MRXNPFEDSA-N 0 0 407.872 1.498 50 0 HDAARN C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000095947359 568664688 /nfs/dbraw/zinc/66/46/88/568664688.db2.gz USPMHXDZBHFJNT-GFCCVEGCSA-N 0 0 401.421 1.791 50 0 HDAARN COC(=O)[C@@H]1CCCN1C(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21 ZINC000095947381 568664707 /nfs/dbraw/zinc/66/47/07/568664707.db2.gz MVUBROYNKLNMBX-HNNXBMFYSA-N 0 0 407.492 1.450 50 0 HDAARN O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000095947253 568664743 /nfs/dbraw/zinc/66/47/43/568664743.db2.gz AOQFPKIJRZNGLJ-YESZJQIVSA-N 0 0 402.472 1.158 50 0 HDAARN CCOC(=O)c1cnc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)nc1N ZINC000021099620 568666218 /nfs/dbraw/zinc/66/62/18/568666218.db2.gz BQAJAHOAQWYURS-UHFFFAOYSA-N 0 0 410.477 1.582 50 0 HDAARN CCCCN(C(=O)CSc1nnc(-c2cccnc2)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000021128583 568670171 /nfs/dbraw/zinc/67/01/71/568670171.db2.gz IBWQAPHKXPCKMG-HNNXBMFYSA-N 0 0 423.564 1.785 50 0 HDAARN CCCCN(C(=O)CSc1nnc(-c2cccnc2)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000021128581 568670247 /nfs/dbraw/zinc/67/02/47/568670247.db2.gz IBWQAPHKXPCKMG-OAHLLOKOSA-N 0 0 423.564 1.785 50 0 HDAARN CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(F)cc2I)C1=O ZINC000095963536 568670428 /nfs/dbraw/zinc/67/04/28/568670428.db2.gz RKLCUZGXOKLPEY-LLVKDONJSA-N 0 0 404.179 1.696 50 0 HDAARN COC(=O)N1CC(NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 ZINC000095972036 568671738 /nfs/dbraw/zinc/67/17/38/568671738.db2.gz MZSUSJUFZILKFF-UHFFFAOYSA-N 0 0 408.432 1.443 50 0 HDAARN COc1cc(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)cc(OC)c1OC ZINC000021151987 568672614 /nfs/dbraw/zinc/67/26/14/568672614.db2.gz WBLDMMRSXWXZLO-QGZVFWFLSA-N 0 0 403.479 1.854 50 0 HDAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)N2CCc3ccccc32)c(C)n1C ZINC000021154268 568673164 /nfs/dbraw/zinc/67/31/64/568673164.db2.gz WYXCYOTYCWIHHD-UHFFFAOYSA-N 0 0 403.504 1.866 50 0 HDAARN CCc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c1 ZINC000021154530 568673297 /nfs/dbraw/zinc/67/32/97/568673297.db2.gz IZJDFVZUQMKLJG-SFHVURJKSA-N 0 0 407.536 1.948 50 0 HDAARN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(c4nccs4)CC3)c2)nn1 ZINC000225850687 568680449 /nfs/dbraw/zinc/68/04/49/568680449.db2.gz GLHKHKGLDFZTLO-UHFFFAOYSA-N 0 0 413.463 1.865 50 0 HDAARN COCc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000096000574 568681135 /nfs/dbraw/zinc/68/11/35/568681135.db2.gz UBPLIENXHDCTCN-LBPRGKRZSA-N 0 0 407.370 1.997 50 0 HDAARN O=C(COc1cccc(C(F)(F)F)c1)NCCn1nc(-n2cncn2)ccc1=O ZINC000096025183 568686268 /nfs/dbraw/zinc/68/62/68/568686268.db2.gz WQVZPUHCQHLJTR-UHFFFAOYSA-N 0 0 408.340 1.038 50 0 HDAARN CCOC(=O)C1=C(C)N(CC(=O)NCCOC)c2ncnn2[C@@H]1c1ccc(C)cc1 ZINC000021350894 568687811 /nfs/dbraw/zinc/68/78/11/568687811.db2.gz JXWPRZSZHYKTKB-LJQANCHMSA-N 0 0 413.478 1.596 50 0 HDAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)NC3CC3)CC2)c1C ZINC000096101726 568691186 /nfs/dbraw/zinc/69/11/86/568691186.db2.gz JOEWLCUPSQPTNL-UHFFFAOYSA-N 0 0 417.535 1.440 50 0 HDAARN Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000096104222 568692176 /nfs/dbraw/zinc/69/21/76/568692176.db2.gz AMEBQWCWYHNBIF-UHFFFAOYSA-N 0 0 410.930 1.157 50 0 HDAARN O=C(c1ccc[nH]c1=O)N1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O ZINC000096105567 568693064 /nfs/dbraw/zinc/69/30/64/568693064.db2.gz CLNNUCNVYWKSLY-UHFFFAOYSA-N 0 0 414.849 1.755 50 0 HDAARN CC1(C)Cc2c(sc3ncn4nc(OCC(=O)N5CCOCC5)nc4c23)CO1 ZINC000012389866 568693447 /nfs/dbraw/zinc/69/34/47/568693447.db2.gz CELKDHMFRYHYIZ-UHFFFAOYSA-N 0 0 403.464 1.428 50 0 HDAARN Cn1cnc2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O ZINC000096114356 568694011 /nfs/dbraw/zinc/69/40/11/568694011.db2.gz ZFQWLGRQLCHKOC-QGZVFWFLSA-N 0 0 405.414 1.403 50 0 biogenic HDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)cc2)o1 ZINC000096116241 568695798 /nfs/dbraw/zinc/69/57/98/568695798.db2.gz RTZOPEJYUIMUFH-QGZVFWFLSA-N 0 0 403.431 1.881 50 0 biogenic HDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000096117236 568696710 /nfs/dbraw/zinc/69/67/10/568696710.db2.gz BMIWPODFFWAJRG-OAHLLOKOSA-N 0 0 408.393 1.036 50 0 HDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1n[nH]c(CCc2ccccc2)n1 ZINC000096117577 568697043 /nfs/dbraw/zinc/69/70/43/568697043.db2.gz BSCMIOXMGPZMHY-MRXNPFEDSA-N 0 0 404.430 1.669 50 0 HDAARN COc1ccc2nnc(CCCC(=O)N3CCN(CCc4ccccn4)CC3)n2n1 ZINC000096118688 568698375 /nfs/dbraw/zinc/69/83/75/568698375.db2.gz RNTLAORSRPVLDS-UHFFFAOYSA-N 0 0 409.494 1.238 50 0 HDAARN CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2)C1 ZINC000096120080 568699266 /nfs/dbraw/zinc/69/92/66/568699266.db2.gz FDPJUWBKSIQPRR-HNNXBMFYSA-N 0 0 420.528 1.308 50 0 HDAARN O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124262 568700705 /nfs/dbraw/zinc/70/07/05/568700705.db2.gz QAZWTTZBNDREPQ-UHFFFAOYSA-N 0 0 400.446 1.810 50 0 HDAARN COc1ccc(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000096221092 568704908 /nfs/dbraw/zinc/70/49/08/568704908.db2.gz DOPNTPOEMSXDGS-IBGZPJMESA-N 0 0 411.458 1.873 50 0 biogenic HDAARN CCN1C(=O)c2cc(C(=O)NCCC(C)C)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021531001 568710951 /nfs/dbraw/zinc/71/09/51/568710951.db2.gz SXPSRMDGRGMDMD-OAQYLSRUSA-N 0 0 403.527 1.952 50 0 HDAARN Cc1ccccc1OC[C@H](O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850875 568712026 /nfs/dbraw/zinc/71/20/26/568712026.db2.gz ODMBQAVWRIMLGH-OAHLLOKOSA-N 0 0 413.478 1.162 50 0 HDAARN CC(C)(C)NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[nH]n21 ZINC000021537510 568712770 /nfs/dbraw/zinc/71/27/70/568712770.db2.gz ZGZBTQUMZIQMMG-UHFFFAOYSA-N 0 0 401.448 1.820 50 0 HDAARN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000096274166 568713994 /nfs/dbraw/zinc/71/39/94/568713994.db2.gz FWOBETNGGNCYIK-KBPBESRZSA-N 0 0 418.446 1.709 50 0 HDAARN COC(=O)c1n[nH]c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc21 ZINC000025013648 568714327 /nfs/dbraw/zinc/71/43/27/568714327.db2.gz MYDJDBWVVZFPBL-UHFFFAOYSA-N 0 0 416.459 1.965 50 0 HDAARN Cc1cc(N2CCCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc[nH+]1 ZINC000230586666 568717218 /nfs/dbraw/zinc/71/72/18/568717218.db2.gz WAMLAOJERMTQRC-NRFANRHFSA-N 0 0 402.495 1.723 50 0 HDAARN COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2ccccc2)S1(=O)=O ZINC000012415330 568717513 /nfs/dbraw/zinc/71/75/13/568717513.db2.gz BPJDHQZXBUPIPF-UHFFFAOYSA-N 0 0 423.516 1.926 50 0 HDAARN COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)S1(=O)=O ZINC000012415412 568717732 /nfs/dbraw/zinc/71/77/32/568717732.db2.gz YZDBYJVXCCGKMN-UHFFFAOYSA-N 0 0 417.487 1.864 50 0 HDAARN C[C@@H](C(=O)NCc1cccs1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000055528299 568727329 /nfs/dbraw/zinc/72/73/29/568727329.db2.gz XHJQANLISXOFGZ-INIZCTEOSA-N 0 0 402.568 1.889 50 0 HDAARN O=C1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccncc1 ZINC000021643487 568727738 /nfs/dbraw/zinc/72/77/38/568727738.db2.gz IJCPSSSXRYXLMK-UHFFFAOYSA-N 0 0 405.501 1.741 50 0 HDAARN CCOc1ccc(OC[C@H](O)CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 ZINC000242273533 568732517 /nfs/dbraw/zinc/73/25/17/568732517.db2.gz YDNKABBEMTWDKQ-ROERJRBBSA-N 0 0 407.536 1.847 50 0 HDAARN O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)NCCCN1CCCC1=O ZINC000096385676 568741996 /nfs/dbraw/zinc/74/19/96/568741996.db2.gz DYXXBGCSKMTUME-UHFFFAOYSA-N 0 0 411.437 1.455 50 0 HDAARN COc1cccc(N2CCN(S(=O)(=O)c3cc4c(=O)[nH]nc(C)n4c3)CC2)c1 ZINC000096397821 568746401 /nfs/dbraw/zinc/74/64/01/568746401.db2.gz BNHLQRDSXUTRHM-UHFFFAOYSA-N 0 0 403.464 1.263 50 0 HDAARN CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000021713676 568748558 /nfs/dbraw/zinc/74/85/58/568748558.db2.gz KJMWNUXOJFSLJA-UHFFFAOYSA-N 0 0 413.453 1.626 50 0 HDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)cn1 ZINC000021717600 568750210 /nfs/dbraw/zinc/75/02/10/568750210.db2.gz WYDACUZDYZMGIG-UHFFFAOYSA-N 0 0 408.480 1.439 50 0 HDAARN C[C@H](NC(=O)COC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccco1 ZINC000021762196 568752159 /nfs/dbraw/zinc/75/21/59/568752159.db2.gz PKELXPJPDZVRRJ-NSHDSACASA-N 0 0 400.478 1.467 50 0 HDAARN CCc1ccc(CN2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000021869862 568756288 /nfs/dbraw/zinc/75/62/88/568756288.db2.gz HAKBAYBSUQQKLE-NRFANRHFSA-N 0 0 421.563 1.670 50 0 HDAARN CN1C(=O)c2cc(C(=O)NCc3ccco3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876064 568756724 /nfs/dbraw/zinc/75/67/24/568756724.db2.gz RSHHGYWYWUPBEF-JOCHJYFZSA-N 0 0 421.457 1.567 50 0 HDAARN CCN1C(=O)c2cc(C(=O)NCc3ccco3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877413 568756896 /nfs/dbraw/zinc/75/68/96/568756896.db2.gz GSPPWLUWVQLGFT-OAQYLSRUSA-N 0 0 413.478 1.699 50 0 HDAARN CN1C(=O)c2cc(C(=O)N3CCCC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876872 568756960 /nfs/dbraw/zinc/75/69/60/568756960.db2.gz PZXOSAYRYRVTSV-NRFANRHFSA-N 0 0 413.453 1.419 50 0 HDAARN CCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCOC)N(c1cccc(F)c1)C2=O ZINC000021879424 568757037 /nfs/dbraw/zinc/75/70/37/568757037.db2.gz CUISSGLWUVCFDK-HXUWFJFHSA-N 0 0 418.425 1.381 50 0 HDAARN Cc1ccc(CNC(=O)CNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2C)o1 ZINC000021919709 568760558 /nfs/dbraw/zinc/76/05/58/568760558.db2.gz XHACBGALRUHRBR-JOCHJYFZSA-N 0 0 408.458 1.820 50 0 HDAARN CC(C)OCCCNC(=O)CNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1C ZINC000021919635 568760625 /nfs/dbraw/zinc/76/06/25/568760625.db2.gz OQCTXFWXMZQUGC-JOCHJYFZSA-N 0 0 414.506 1.533 50 0 HDAARN O=C(CN1CCCN(Cc2cccc(F)c2)S1(=O)=O)Nc1ccc2c(c1)OCO2 ZINC000021923491 568760924 /nfs/dbraw/zinc/76/09/24/568760924.db2.gz TWUGXUZBKIRRBM-UHFFFAOYSA-N 0 0 421.450 1.946 50 0 HDAARN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1 ZINC000021927941 568761229 /nfs/dbraw/zinc/76/12/29/568761229.db2.gz OANVBSGTUBQTCU-QGZVFWFLSA-N 0 0 420.535 1.924 50 0 HDAARN COc1cc([C@H]2CC(=O)Nc3nc(N4CCOCC4)[nH]c(=O)c32)cc(OC)c1OC ZINC000670416103 568767654 /nfs/dbraw/zinc/76/76/54/568767654.db2.gz KYAIBQVJMAWDQP-GFCCVEGCSA-N 0 0 416.434 1.519 50 0 HDAARN O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC1)OCCO2 ZINC000052518137 568768870 /nfs/dbraw/zinc/76/88/70/568768870.db2.gz MEUHJRHXMXLIGN-UHFFFAOYSA-N 0 0 407.898 1.463 50 0 HDAARN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)Nc2cc(F)ccc2O)cc1C ZINC000097165172 568769394 /nfs/dbraw/zinc/76/93/94/568769394.db2.gz CYRDVLHIBNYVJS-HNNXBMFYSA-N 0 0 423.466 1.699 50 0 HDAARN CCN(C(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000052635770 568772636 /nfs/dbraw/zinc/77/26/36/568772636.db2.gz RXDUDVOKZJIHRB-HOTGVXAUSA-N 0 0 413.971 1.886 50 0 HDAARN O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)N1CCOCC1 ZINC000001123087 568772969 /nfs/dbraw/zinc/77/29/69/568772969.db2.gz PUAWBTKURBGXDX-LIKPIUCQSA-N 0 0 402.450 1.737 50 0 HDAARN Cc1noc(-c2cn(CCNC(=O)[C@H]3CC(=O)N([C@H]4CCc5ccccc54)C3)nn2)n1 ZINC000225583834 568774829 /nfs/dbraw/zinc/77/48/29/568774829.db2.gz MYLOHUMKQMZJCX-YJBOKZPZSA-N 0 0 421.461 1.289 50 0 HDAARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000027973796 568774874 /nfs/dbraw/zinc/77/48/74/568774874.db2.gz WBBLUBNTIBIFPD-UHFFFAOYSA-N 0 0 404.492 1.818 50 0 HDAARN CCCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000055594771 568779929 /nfs/dbraw/zinc/77/99/29/568779929.db2.gz WOAKYQHGWMNZDD-UHFFFAOYSA-N 0 0 405.842 1.515 50 0 HDAARN O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000002619945 568786997 /nfs/dbraw/zinc/78/69/97/568786997.db2.gz FIDISXLGYDORDC-NRFANRHFSA-N 0 0 405.414 1.578 50 0 HDAARN CCc1nc2c(C)nn(C)c2c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000028557661 568790612 /nfs/dbraw/zinc/79/06/12/568790612.db2.gz XDYIPUMVSNBXIE-UHFFFAOYSA-N 0 0 400.508 1.745 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000002631525 568790928 /nfs/dbraw/zinc/79/09/28/568790928.db2.gz YZKREIKREAWAEI-INIZCTEOSA-N 0 0 401.488 1.924 50 0 HDAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCCc2ccccc2)cc1 ZINC000002636489 568792382 /nfs/dbraw/zinc/79/23/82/568792382.db2.gz HWDAEWRFWOTCBN-UHFFFAOYSA-N 0 0 404.488 1.566 50 0 HDAARN C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000002646233 568795093 /nfs/dbraw/zinc/79/50/93/568795093.db2.gz VRWBZUHLJYIULO-GFCCVEGCSA-N 0 0 409.398 1.524 50 0 HDAARN COCCNC(=O)Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCC3 ZINC000002687587 568800962 /nfs/dbraw/zinc/80/09/62/568800962.db2.gz QYYNUVCNSZTCDZ-UHFFFAOYSA-N 0 0 413.499 1.524 50 0 HDAARN C[C@@H]1Cc2ccccc2N1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002726639 568804178 /nfs/dbraw/zinc/80/41/78/568804178.db2.gz LYAZTRZXDDQDDM-OAHLLOKOSA-N 0 0 404.470 1.811 50 0 HDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[C@@H](O)c2ccc(F)cc2)c1=O ZINC000028918697 568813151 /nfs/dbraw/zinc/81/31/51/568813151.db2.gz VKONDPUGBBPXAT-GOSISDBHSA-N 0 0 407.467 1.946 50 0 HDAARN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NCC(F)(F)F ZINC000063122734 568824950 /nfs/dbraw/zinc/82/49/50/568824950.db2.gz HXPOAUCNGPOMRU-UHFFFAOYSA-N 0 0 404.414 1.748 50 0 HDAARN COc1ccc(CNC(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)cc1OC ZINC000005861689 568826496 /nfs/dbraw/zinc/82/64/96/568826496.db2.gz MYRRGEGZSBUSMH-UHFFFAOYSA-N 0 0 411.418 1.217 50 0 HDAARN CCOC(=O)C(C(=O)OCC)[C@H](C)CS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 ZINC000227163102 568828532 /nfs/dbraw/zinc/82/85/32/568828532.db2.gz BOSNVUVQKCQNSV-CYBMUJFWSA-N 0 0 423.487 1.989 50 0 HDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ncnc2sc3c(c21)CCCC3 ZINC000005936224 568830179 /nfs/dbraw/zinc/83/01/79/568830179.db2.gz CZGXKVDEMVXUHG-LBPRGKRZSA-N 0 0 408.549 1.700 50 0 HDAARN COc1ccc(CCNC(=O)Cn2c(=O)c3cccnc3[nH]c2=S)cc1OC ZINC000002959838 568830227 /nfs/dbraw/zinc/83/02/27/568830227.db2.gz VCJVQMIQCQSNMT-UHFFFAOYSA-N 0 0 400.460 1.830 50 0 HDAARN CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)c4cccnc4[nH]c3=S)CC2)cc1 ZINC000002959845 568830248 /nfs/dbraw/zinc/83/02/48/568830248.db2.gz CIKAYQLDEFAUAA-UHFFFAOYSA-N 0 0 423.498 1.632 50 0 HDAARN COc1cc(OC)cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000005938155 568831190 /nfs/dbraw/zinc/83/11/90/568831190.db2.gz XZVMJISOXCZGHJ-HNNXBMFYSA-N 0 0 413.492 1.532 50 0 HDAARN COc1cccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000005977393 568833389 /nfs/dbraw/zinc/83/33/89/568833389.db2.gz ZGSXMQGFOUGJHV-UHFFFAOYSA-N 0 0 420.487 1.906 50 0 HDAARN Cc1ccc2nc3c(c(C(=O)OCC(=O)N[C@H]4CCS(=O)(=O)C4)c2c1)CCCC3 ZINC000005980108 568833864 /nfs/dbraw/zinc/83/38/64/568833864.db2.gz LTYUDJKUYVVOQI-AWEZNQCLSA-N 0 0 416.499 1.882 50 0 HDAARN Cc1ccccc1OCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000005989047 568834438 /nfs/dbraw/zinc/83/44/38/568834438.db2.gz YVCDVQNDTQHYOF-CQSZACIVSA-N 0 0 406.460 1.982 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000031663376 568837419 /nfs/dbraw/zinc/83/74/19/568837419.db2.gz UGWBLVHWNPJASD-OKILXGFUSA-N 0 0 400.476 1.329 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000031663404 568837438 /nfs/dbraw/zinc/83/74/38/568837438.db2.gz LEQWKDACNBCPCF-OKILXGFUSA-N 0 0 400.476 1.329 50 0 HDAARN CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000003015529 568838515 /nfs/dbraw/zinc/83/85/15/568838515.db2.gz 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COc1cccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)c1OC ZINC000057521541 568850033 /nfs/dbraw/zinc/85/00/33/568850033.db2.gz GTXFYGBZECNQNR-UHFFFAOYSA-N 0 0 402.476 1.996 50 0 HDAARN Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccnc2Cl)c1=O ZINC000057522435 568850217 /nfs/dbraw/zinc/85/02/17/568850217.db2.gz XLBDOUJAMUXXRF-UHFFFAOYSA-N 0 0 420.882 1.444 50 0 HDAARN COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(C)c1=O ZINC000057525740 568850487 /nfs/dbraw/zinc/85/04/87/568850487.db2.gz VEDKMEXFOPOQCC-UHFFFAOYSA-N 0 0 401.806 1.779 50 0 HDAARN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](c2nccn2C)c2ccc(OC)cc2)CC1 ZINC000012549753 568852311 /nfs/dbraw/zinc/85/23/11/568852311.db2.gz WTWHCGSETQRJMY-GOSISDBHSA-N 0 0 420.535 1.696 50 0 HDAARN C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1Cl ZINC000012551593 568853688 /nfs/dbraw/zinc/85/36/88/568853688.db2.gz GKGGAJPFCVEHHY-SECBINFHSA-N 0 0 410.261 1.618 50 0 HDAARN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)N(C)c2ccccc2)c1=O ZINC000012552614 568854366 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419.865 1.725 50 0 HDAARN CCN(C(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000006660822 569085032 /nfs/dbraw/zinc/08/50/32/569085032.db2.gz AEFNYRIDFRKXRI-KAQJVSAMSA-N 0 0 414.530 1.820 50 0 HDAARN CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NC[C@@H]1CCCO1 ZINC000006671687 569087096 /nfs/dbraw/zinc/08/70/96/569087096.db2.gz KKJUPXJSZWVQPR-HOCLYGCPSA-N 0 0 417.535 1.983 50 0 HDAARN O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000006672531 569087231 /nfs/dbraw/zinc/08/72/31/569087231.db2.gz NNMCEOVLYOMGFP-UHFFFAOYSA-N 0 0 417.516 1.803 50 0 HDAARN O=C(c1nn(-c2ccccc2F)c(=O)n(Cc2ccc(F)cc2)c1=O)N1CCCC1 ZINC000036085152 569087581 /nfs/dbraw/zinc/08/75/81/569087581.db2.gz MWAOPMGKGXLFNZ-UHFFFAOYSA-N 0 0 412.396 1.957 50 0 HDAARN COc1cccc(Cn2c(=O)c(C(=O)NC3CC3)nn(-c3ccc(C)cc3)c2=O)c1 ZINC000036086731 569088182 /nfs/dbraw/zinc/08/81/82/569088182.db2.gz LUYDQEUBPOKFBG-UHFFFAOYSA-N 0 0 406.442 1.652 50 0 HDAARN O=C(NCc1cccc(Br)c1)c1ccc(=O)n(CCN2CCOCC2)c1 ZINC000064760562 569091231 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569112468 /nfs/dbraw/zinc/11/24/68/569112468.db2.gz PTIVOSMIWJMKBV-IBGZPJMESA-N 0 0 403.523 1.751 50 0 HDAARN COCCNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C1CCN(C(=O)NC(C)C)CC1 ZINC000036213723 569112877 /nfs/dbraw/zinc/11/28/77/569112877.db2.gz AQSJJCFHSPAIDO-LJQANCHMSA-N 0 0 418.538 1.686 50 0 HDAARN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1CSCN1C(=O)[C@H]1CCC(=O)N1 ZINC000006759723 569113348 /nfs/dbraw/zinc/11/33/48/569113348.db2.gz DSSHNQPEPYRPDD-OLZOCXBDSA-N 0 0 402.303 1.790 50 0 HDAARN Cc1cccc(CN2CCN(CC(=O)N3CCN(c4ccccc4)CC3)C(=O)C2=O)c1 ZINC000064888799 569115478 /nfs/dbraw/zinc/11/54/78/569115478.db2.gz PAHINFSKTBZGBX-UHFFFAOYSA-N 0 0 420.513 1.515 50 0 HDAARN COc1cc(NC(=O)CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc(OC)c1 ZINC000064888516 569115519 /nfs/dbraw/zinc/11/55/19/569115519.db2.gz SIYNHRLYEAORKO-UHFFFAOYSA-N 0 0 415.421 1.652 50 0 HDAARN CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000064889335 569115733 /nfs/dbraw/zinc/11/57/33/569115733.db2.gz LBKILUUQHODREW-UHFFFAOYSA-N 0 0 417.447 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/nfs/dbraw/zinc/12/70/10/569127010.db2.gz QKCLYNBINIWLCA-LBPRGKRZSA-N 0 0 402.476 1.477 50 0 HDAARN COCCN(C[C@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680474 569127203 /nfs/dbraw/zinc/12/72/03/569127203.db2.gz SISVTQGVMWVIOH-NHCUHLMSSA-N 0 0 422.566 1.960 50 0 HDAARN COc1ccc(CCNC(=O)CN2c3ccccc3[S@](=O)CCC2=O)cc1OC ZINC000006805676 569131542 /nfs/dbraw/zinc/13/15/42/569131542.db2.gz PZJRFAAWPAIBMM-LJAQVGFWSA-N 0 0 416.499 1.907 50 0 HDAARN COc1ccc(CCNC(=O)CCc2c(C)nc3nc(CN)nn3c2C)cc1OC ZINC000006808284 569132428 /nfs/dbraw/zinc/13/24/28/569132428.db2.gz ONXOIAAVRUZNPK-UHFFFAOYSA-N 0 0 412.494 1.509 50 0 HDAARN CCn1cnc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)c1 ZINC000064957494 569134810 /nfs/dbraw/zinc/13/48/10/569134810.db2.gz MULUPEABCUWWKQ-UHFFFAOYSA-N 0 0 406.508 1.629 50 0 HDAARN CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1 ZINC000006819041 569139081 /nfs/dbraw/zinc/13/90/81/569139081.db2.gz ZNPVOKDQTMCQIL-UHFFFAOYSA-N 0 0 421.475 1.475 50 0 HDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)OC(C)(C)C)cc1C ZINC000036333406 569139452 /nfs/dbraw/zinc/13/94/52/569139452.db2.gz CTGZLUBSEKETSP-HOCLYGCPSA-N 0 0 413.492 1.312 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccccn3)CC1)n(C)c(=O)n2C ZINC000064976519 569139659 /nfs/dbraw/zinc/13/96/59/569139659.db2.gz TUIKFSIXAGTAQC-UHFFFAOYSA-N 0 0 401.492 1.091 50 0 HDAARN O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000036353423 569147658 /nfs/dbraw/zinc/14/76/58/569147658.db2.gz LOSMXYKXLVXUEM-INIZCTEOSA-N 0 0 413.927 1.668 50 0 HDAARN O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000036354443 569148011 /nfs/dbraw/zinc/14/80/11/569148011.db2.gz BRAZNZGDTKCORG-QGZVFWFLSA-N 0 0 403.460 1.015 50 0 HDAARN O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000036356895 569148513 /nfs/dbraw/zinc/14/85/13/569148513.db2.gz SZHXUESZUBVRAZ-CYBMUJFWSA-N 0 0 420.516 1.919 50 0 HDAARN CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccccc1Cl ZINC000036357644 569149960 /nfs/dbraw/zinc/14/99/60/569149960.db2.gz LQGFHEJIJCWIAS-XPKDYRNWSA-N 0 0 415.943 1.857 50 0 HDAARN Cn1c2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc2nc1C(F)(F)F ZINC000036367204 569152876 /nfs/dbraw/zinc/15/28/76/569152876.db2.gz JLWGXEXLKDSIBV-UHFFFAOYSA-N 0 0 413.400 1.369 50 0 HDAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)cc1 ZINC000065024185 569155347 /nfs/dbraw/zinc/15/53/47/569155347.db2.gz QYAADBBPZICVPT-MRXNPFEDSA-N 0 0 400.479 1.016 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)NC(C)C)OCC(=O)N2Cc1noc(C2CC2)n1 ZINC000065022793 569155596 /nfs/dbraw/zinc/15/55/96/569155596.db2.gz LMTRYCZUGMTYFY-UHFFFAOYSA-N 0 0 406.464 1.868 50 0 HDAARN COCCNS(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CC3)n1)C(=O)CO2 ZINC000065022802 569155597 /nfs/dbraw/zinc/15/55/97/569155597.db2.gz BYLQKVAQIPTQGQ-UHFFFAOYSA-N 0 0 422.463 1.106 50 0 HDAARN Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)C4CCCC4)CC3)cc2sc1=O ZINC000065032574 569157751 /nfs/dbraw/zinc/15/77/51/569157751.db2.gz AYTUBLYEVYRKED-UHFFFAOYSA-N 0 0 409.533 1.623 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)NCc3ccccc3)cc2C[C@@H]1C ZINC000006866974 569159624 /nfs/dbraw/zinc/15/96/24/569159624.db2.gz YUZQEPISOVPNHX-HNNXBMFYSA-N 0 0 415.515 1.921 50 0 HDAARN COc1ccc(C(=O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H]3OC(C)(C)O[C@H]23)cc1 ZINC000586824241 569162100 /nfs/dbraw/zinc/16/21/00/569162100.db2.gz JMLDAFUOWOBREI-ORQFMDKSSA-N 0 0 418.402 1.232 50 0 biogenic HDAARN Cc1noc2nc(CCC(=O)NCCN3CCOCC3)nc(N3CCCCCC3)c12 ZINC000065056592 569163072 /nfs/dbraw/zinc/16/30/72/569163072.db2.gz RFZIQSBPPXONOH-UHFFFAOYSA-N 0 0 416.526 1.688 50 0 HDAARN CC(C)OCCCNC(=O)Cn1c(=O)c2cnc(-c3ccccc3)nc2n(C)c1=O ZINC000065057409 569163771 /nfs/dbraw/zinc/16/37/71/569163771.db2.gz AJFIPGCRSURZIB-UHFFFAOYSA-N 0 0 411.462 1.089 50 0 HDAARN CCOCCCNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000065061474 569165214 /nfs/dbraw/zinc/16/52/14/569165214.db2.gz KDNHNKDVRLRVIB-CYBMUJFWSA-N 0 0 401.529 1.871 50 0 HDAARN CS(=O)(=O)N1CCC(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000036392440 569167577 /nfs/dbraw/zinc/16/75/77/569167577.db2.gz JNZODBFSOVQFHM-UHFFFAOYSA-N 0 0 406.508 1.584 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C[C@@H](C)O1 ZINC000036395339 569168786 /nfs/dbraw/zinc/16/87/86/569168786.db2.gz KGOBWVVLKOSBRT-RKVPGOIHSA-N 0 0 417.959 1.657 50 0 HDAARN COc1ccc(CNC(=O)Cn2nc(C(=O)N3CCc4ccccc43)ccc2=O)cc1 ZINC000065076333 569170113 /nfs/dbraw/zinc/17/01/13/569170113.db2.gz RJMUCRBHCAQOOK-UHFFFAOYSA-N 0 0 418.453 1.771 50 0 HDAARN COCCOc1ccc(S(=O)(=O)Nc2ccccc2CN2C(=O)CNC2=O)cc1 ZINC000036397864 569171022 /nfs/dbraw/zinc/17/10/22/569171022.db2.gz STDZVRLQPQSWOC-UHFFFAOYSA-N 0 0 419.459 1.564 50 0 HDAARN COc1ccccc1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006893308 569174779 /nfs/dbraw/zinc/17/47/79/569174779.db2.gz DZNDIEBIOFOSMP-UHFFFAOYSA-N 0 0 404.444 1.506 50 0 HDAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)NC4CCCC4)c(=O)n3c2)cc1 ZINC000065100159 569177235 /nfs/dbraw/zinc/17/72/35/569177235.db2.gz SWKBHKSODZYWIY-UHFFFAOYSA-N 0 0 409.446 1.816 50 0 HDAARN Cc1ccc2oc(=O)n(Cc3noc(C(=O)N4CCC5(CC4)OCCO5)n3)c2c1 ZINC000065111727 569180291 /nfs/dbraw/zinc/18/02/91/569180291.db2.gz GFVLYCYABLBAHA-UHFFFAOYSA-N 0 0 400.391 1.313 50 0 biogenic HDAARN COCCn1cnc2c(-c3ccccc3)cn(CC(=O)NC[C@@H]3CCCO3)c2c1=O ZINC000065113597 569180820 /nfs/dbraw/zinc/18/08/20/569180820.db2.gz LFWAVKRNXLNYJZ-KRWDZBQOSA-N 0 0 410.474 1.807 50 0 HDAARN Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000006921562 569182526 /nfs/dbraw/zinc/18/25/26/569182526.db2.gz VYNZWDYTVOHOAR-SWLSCSKDSA-N 0 0 408.528 1.049 50 0 HDAARN CCn1cc(C(=O)NCc2ccc(F)cc2)c(S(=O)(=O)N2CCSCC2)n1 ZINC000065151961 569185871 /nfs/dbraw/zinc/18/58/71/569185871.db2.gz NKFXWAMTSSLUMQ-UHFFFAOYSA-N 0 0 412.512 1.710 50 0 HDAARN CCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000065152052 569185965 /nfs/dbraw/zinc/18/59/65/569185965.db2.gz QGONCWYOEXYWNF-UHFFFAOYSA-N 0 0 419.551 1.780 50 0 HDAARN COc1ccc(C(=O)NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000006942213 569186870 /nfs/dbraw/zinc/18/68/70/569186870.db2.gz PTCBIIKRYOAOIG-UHFFFAOYSA-N 0 0 412.320 1.376 50 0 HDAARN CCOC(=O)CN1N=C(C(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc21 ZINC000065183345 569190995 /nfs/dbraw/zinc/19/09/95/569190995.db2.gz BPNVSZIRELUNOI-UHFFFAOYSA-N 0 0 407.492 1.868 50 0 HDAARN CCCn1c(=O)c2nscc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O ZINC000065184994 569191459 /nfs/dbraw/zinc/19/14/59/569191459.db2.gz LPDHHWJUDBUDQH-UHFFFAOYSA-N 0 0 404.448 1.686 50 0 HDAARN Cc1sc2nc([C@@H](C)OC(=O)CCN3C(=O)NC(C)(C)C3=O)[nH]c(=O)c2c1C ZINC000006972986 569192022 /nfs/dbraw/zinc/19/20/22/569192022.db2.gz WOZGSKFUGXGGQW-SECBINFHSA-N 0 0 406.464 1.926 50 0 HDAARN COc1ccc(CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)cc1OC ZINC000006973958 569192995 /nfs/dbraw/zinc/19/29/95/569192995.db2.gz XNMWJFFDYDMLCC-UHFFFAOYSA-N 0 0 405.432 1.568 50 0 HDAARN COc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCC4)cn3c2=O)cc1F ZINC000065198678 569193370 /nfs/dbraw/zinc/19/33/70/569193370.db2.gz ABSXTBFDJMNMKG-UHFFFAOYSA-N 0 0 406.439 1.477 50 0 HDAARN CCOC(=O)[C@H](CC)n1nc2ccc(S(=O)(=O)N3CCCCCC3)cn2c1=O ZINC000065198764 569193474 /nfs/dbraw/zinc/19/34/74/569193474.db2.gz GIJIFPDIFMUCPH-HNNXBMFYSA-N 0 0 410.496 1.575 50 0 HDAARN CCCN1c2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2N2C(=O)CC[C@@H]2C1=O ZINC000065202188 569195172 /nfs/dbraw/zinc/19/51/72/569195172.db2.gz JIOIAABTXKSRPD-QGZVFWFLSA-N 0 0 413.474 1.918 50 0 biogenic HDAARN COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)c1 ZINC000006999521 569196754 /nfs/dbraw/zinc/19/67/54/569196754.db2.gz RESDDFFGNUHVGS-UHFFFAOYSA-N 0 0 410.434 1.446 50 0 HDAARN COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1OC ZINC000006999194 569196763 /nfs/dbraw/zinc/19/67/63/569196763.db2.gz KQNMGAIAOKSWAY-UHFFFAOYSA-N 0 0 414.397 1.908 50 0 HDAARN O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)NCc1ccccc1Cl ZINC000065213811 569197498 /nfs/dbraw/zinc/19/74/98/569197498.db2.gz JENYIMKYLYHPFW-UHFFFAOYSA-N 0 0 409.895 1.603 50 0 HDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(OC)c1 ZINC000007006166 569199267 /nfs/dbraw/zinc/19/92/67/569199267.db2.gz FGYHKNHWOCLUQR-UHFFFAOYSA-N 0 0 422.503 1.369 50 0 biogenic HDAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000007012634 569201370 /nfs/dbraw/zinc/20/13/70/569201370.db2.gz JXNKBYMKKFKAJN-UHFFFAOYSA-N 0 0 401.419 1.497 50 0 HDAARN C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000036584799 569203016 /nfs/dbraw/zinc/20/30/16/569203016.db2.gz KDPVSLCMOZWQLQ-GFCCVEGCSA-N 0 0 408.414 1.380 50 0 HDAARN C=C1C(N2CCCN(C(=O)[C@@H]3CCCO3)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239316 569203290 /nfs/dbraw/zinc/20/32/90/569203290.db2.gz VAVJPRPWMKQXGP-KRWDZBQOSA-N 0 0 403.504 1.873 50 0 HDAARN COC(=O)C[C@@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1)C(=O)OC ZINC000036594802 569204432 /nfs/dbraw/zinc/20/44/32/569204432.db2.gz VPNYEHPZRUIOJV-PBHICJAKSA-N 0 0 420.853 1.825 50 0 HDAARN CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2NCc2ccccc2OC)cc1 ZINC000036596317 569204522 /nfs/dbraw/zinc/20/45/22/569204522.db2.gz QEZMSAYHGFTPHB-QUCCMNQESA-N 0 0 423.556 1.987 50 0 HDAARN COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2)C(C)C ZINC000036594964 569204562 /nfs/dbraw/zinc/20/45/62/569204562.db2.gz WVVVCQKQAJITIP-AEFFLSMTSA-N 0 0 400.435 1.993 50 0 HDAARN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C1)C(=O)N2 ZINC000065248984 569205759 /nfs/dbraw/zinc/20/57/59/569205759.db2.gz YNUZYWOZCUYQIW-HXUWFJFHSA-N 0 0 415.471 1.938 50 0 biogenic HDAARN O=C(NCc1ccccc1)c1cn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000065254292 569206902 /nfs/dbraw/zinc/20/69/02/569206902.db2.gz KWJWJCIEWOKONC-UHFFFAOYSA-N 0 0 411.487 1.982 50 0 HDAARN Cn1ncc2c1nc(C(=O)NCCc1ccc(Cl)cc1)nc2N1CCOCC1 ZINC000065257101 569208624 /nfs/dbraw/zinc/20/86/24/569208624.db2.gz YVXMTVJKSTZSOO-UHFFFAOYSA-N 0 0 400.870 1.826 50 0 HDAARN COC(=O)CCNC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2 ZINC000065259798 569210768 /nfs/dbraw/zinc/21/07/68/569210768.db2.gz MNPKJFIUDDCWPU-INIZCTEOSA-N 0 0 409.508 1.332 50 0 biogenic HDAARN CCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000007976213 569211279 /nfs/dbraw/zinc/21/12/79/569211279.db2.gz ZIVONHIBKNCBLV-CYBMUJFWSA-N 0 0 405.476 1.340 50 0 HDAARN CC[C@H]1CN2C=NC(N3CCN(S(=O)(=O)c4cccc(OC)c4)CC3)=CC2=N1 ZINC000065265638 569213011 /nfs/dbraw/zinc/21/30/11/569213011.db2.gz WJICDIQVOPVQAR-HNNXBMFYSA-N 0 0 403.508 1.378 50 0 HDAARN O=C(NCCCN1CCOCC1)[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000065272855 569215919 /nfs/dbraw/zinc/21/59/19/569215919.db2.gz DWESTUUREPHQLU-MRXNPFEDSA-N 0 0 405.564 1.928 50 0 HDAARN CCOC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1C ZINC000036666232 569217369 /nfs/dbraw/zinc/21/73/69/569217369.db2.gz DWUOETIMXTVEDM-OAHLLOKOSA-N 0 0 400.472 1.747 50 0 HDAARN CC[C@@]1(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)CCN(S(C)(=O)=O)C1 ZINC000065292118 569217416 /nfs/dbraw/zinc/21/74/16/569217416.db2.gz WKTNPZWDWZUPIB-HXUWFJFHSA-N 0 0 408.568 1.325 50 0 HDAARN Cc1ccccc1-c1nnn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000007082243 569217421 /nfs/dbraw/zinc/21/74/21/569217421.db2.gz XBGOUSQAJXNNAZ-INIZCTEOSA-N 0 0 403.508 1.607 50 0 HDAARN CC(C)Cn1c2nn(CC(=O)NC3CCCCC3)c(=O)n2c2ccsc2c1=O ZINC000065305215 569220518 /nfs/dbraw/zinc/22/05/18/569220518.db2.gz CGIPYSKHIPAJBS-UHFFFAOYSA-N 0 0 403.508 1.977 50 0 HDAARN Cc1nnc2nc(N3CCN(C(=O)[C@H](C)NC(=O)c4ccccc4)CC3)cc(C)n12 ZINC000065311812 569221018 /nfs/dbraw/zinc/22/10/18/569221018.db2.gz XQWDDUDDZHVINC-HNNXBMFYSA-N 0 0 407.478 1.208 50 0 HDAARN CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)N4CCOCC4)n3)cc2)CC1 ZINC000065319206 569221944 /nfs/dbraw/zinc/22/19/44/569221944.db2.gz NPLWUMSPBQYIPQ-UHFFFAOYSA-N 0 0 420.491 1.630 50 0 HDAARN CNC(=O)Cc1csc(NC(=O)Cn2c3ccccc3nc2-c2cnccn2)n1 ZINC000036708688 569223677 /nfs/dbraw/zinc/22/36/77/569223677.db2.gz BFTKNZBNAHEDTF-UHFFFAOYSA-N 0 0 407.459 1.877 50 0 HDAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccc(F)c1 ZINC000007135893 569225650 /nfs/dbraw/zinc/22/56/50/569225650.db2.gz QMFSJXYYOAJRRT-ZDUSSCGKSA-N 0 0 413.405 1.863 50 0 HDAARN COc1ccc(SCC(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000007139578 569225774 /nfs/dbraw/zinc/22/57/74/569225774.db2.gz OOQHWQWIAFCKNP-UHFFFAOYSA-N 0 0 418.475 1.168 50 0 HDAARN O=C([C@@H]1CC(=O)N(CCc2cccs2)C1)N1CCc2nc3ccccn3c(=O)c2C1 ZINC000238877031 569227181 /nfs/dbraw/zinc/22/71/81/569227181.db2.gz OHQUGAIANSXOHU-OAHLLOKOSA-N 0 0 422.510 1.732 50 0 HDAARN CN(CC(=O)NCc1ccco1)C(=O)CSc1nnc(-c2ccncc2)n1C ZINC000007214433 569229004 /nfs/dbraw/zinc/22/90/04/569229004.db2.gz MHWUALYNXBHCPR-UHFFFAOYSA-N 0 0 400.464 1.337 50 0 HDAARN O=S(=O)(c1c[nH]cn1)N1CCCN(S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000238972359 569229340 /nfs/dbraw/zinc/22/93/40/569229340.db2.gz ZNPTXRIBHAATBP-UHFFFAOYSA-N 0 0 420.516 1.648 50 0 HDAARN Cc1sc2nc([C@H](C)OC(=O)CCCN3C(=O)CN(C)C3=O)[nH]c(=O)c2c1C ZINC000007286943 569232018 /nfs/dbraw/zinc/23/20/18/569232018.db2.gz FVZZENSZNBZRSO-JTQLQIEISA-N 0 0 406.464 1.880 50 0 HDAARN O[C@@H](CN(Cc1nnnn1C1CC1)Cc1nnnn1C1CC1)c1ccc(F)c(F)c1 ZINC000065517581 569233521 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Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 ZINC000014867837 560879762 /nfs/dbraw/zinc/87/97/62/560879762.db2.gz QQUAXUSENZDJNV-UHFFFAOYSA-N 0 0 409.533 1.732 50 0 HDAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cncn1)c1ccco1 ZINC000047121829 560880603 /nfs/dbraw/zinc/88/06/03/560880603.db2.gz KSDHGXVBTYBDFE-SFHVURJKSA-N 0 0 416.441 1.913 50 0 HDAARN Cc1cc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)no1 ZINC000012033138 560887298 /nfs/dbraw/zinc/88/72/98/560887298.db2.gz JPLMMEYREYVWJO-UHFFFAOYSA-N 0 0 418.410 1.771 50 0 HDAARN Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)no1 ZINC000012028994 560887384 /nfs/dbraw/zinc/88/73/84/560887384.db2.gz HBBBABYRURJPCT-HNNXBMFYSA-N 0 0 406.464 1.477 50 0 HDAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc2c(c1)OCO2 ZINC000012196717 560891618 /nfs/dbraw/zinc/89/16/18/560891618.db2.gz NZRASAOHRTZWDN-HNNXBMFYSA-N 0 0 419.459 1.441 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 ZINC000047535453 560891996 /nfs/dbraw/zinc/89/19/96/560891996.db2.gz QCUWYNQRXZJLBY-UHFFFAOYSA-N 0 0 409.899 1.350 50 0 HDAARN COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(OC)c(OC)c2)cc1 ZINC000211088898 560894751 /nfs/dbraw/zinc/89/47/51/560894751.db2.gz WNQPEQITVWBSTH-OAHLLOKOSA-N 0 0 410.448 1.894 50 0 HDAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000108138684 560897916 /nfs/dbraw/zinc/89/79/16/560897916.db2.gz URFRLAIKXQKQPL-RXVVDRJESA-N 0 0 417.531 1.806 50 0 HDAARN CCOC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000108455231 568418817 /nfs/dbraw/zinc/41/88/17/568418817.db2.gz JFGPWHSCKQUTPI-INIZCTEOSA-N 0 0 412.324 1.041 50 0 HDAARN COc1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000108879437 568419765 /nfs/dbraw/zinc/41/97/65/568419765.db2.gz TVVLLRGFIXJQRZ-PYTWLRIVSA-N 0 0 400.431 1.905 50 0 HDAARN CCOc1ccc(-n2nnc3c2ncn(Cc2nc(-c4ccccn4)no2)c3=O)cc1 ZINC000045971147 568423073 /nfs/dbraw/zinc/42/30/73/568423073.db2.gz PHCVLPCHTFLPCN-UHFFFAOYSA-N 0 0 416.401 1.869 50 0 HDAARN CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000046031283 568424547 /nfs/dbraw/zinc/42/45/47/568424547.db2.gz FIDWZNFJAHPYID-UHFFFAOYSA-N 0 0 421.519 1.891 50 0 HDAARN COCC(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(C)cc1)n(C)c(=O)n2C ZINC000046146035 568430627 /nfs/dbraw/zinc/43/06/27/568430627.db2.gz PJAILRUJTRGWOV-UHFFFAOYSA-N 0 0 403.460 1.603 50 0 HDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccnc2N2CCCC2)C[C@H](C)O1 ZINC000048171677 568432299 /nfs/dbraw/zinc/43/22/99/568432299.db2.gz YGDCTVQFNYFARP-GJZGRUSLSA-N 0 0 411.528 1.242 50 0 HDAARN C[C@H]1CCCCN1c1nc(F)c(F)c(S(=O)(=O)CCN2C(=O)CCC2=O)c1F ZINC000024616928 568432332 /nfs/dbraw/zinc/43/23/32/568432332.db2.gz GHUNUBLLJAAYRP-JTQLQIEISA-N 0 0 419.425 1.800 50 0 HDAARN O=C(Nc1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000048172040 568432333 /nfs/dbraw/zinc/43/23/33/568432333.db2.gz GCQZATXHAVFUOI-UHFFFAOYSA-N 0 0 416.507 1.615 50 0 HDAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000048217697 568432469 /nfs/dbraw/zinc/43/24/69/568432469.db2.gz KNHWCFNTPWRPSA-INIZCTEOSA-N 0 0 412.508 1.597 50 0 HDAARN Cc1c(C(=O)NCCC(=O)N2CCCc3ccccc32)cnn1-c1ccc(=O)[nH]n1 ZINC000048235851 568432805 /nfs/dbraw/zinc/43/28/05/568432805.db2.gz OXMOCYMLXCJYHX-UHFFFAOYSA-N 0 0 406.446 1.776 50 0 HDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000048236145 568432924 /nfs/dbraw/zinc/43/29/24/568432924.db2.gz YFNRQHBECUDCTB-INIZCTEOSA-N 0 0 414.549 1.836 50 0 HDAARN CCN1CCN(CC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)C(=O)C1=O ZINC000048229879 568433317 /nfs/dbraw/zinc/43/33/17/568433317.db2.gz MEDVLGBUAKEGAL-UHFFFAOYSA-N 0 0 415.469 1.298 50 0 HDAARN O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000048250225 568434177 /nfs/dbraw/zinc/43/41/77/568434177.db2.gz OPOMYBLZCIIJNK-UHFFFAOYSA-N 0 0 408.520 1.774 50 0 HDAARN Cc1ccc(-c2nn(CN(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=S)o2)cc1C ZINC000048290908 568435347 /nfs/dbraw/zinc/43/53/47/568435347.db2.gz UKQGRYSHCWIROR-OAHLLOKOSA-N 0 0 424.548 1.682 50 0 HDAARN O=C(NCc1cccnc1N1CCOCC1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000048276315 568435627 /nfs/dbraw/zinc/43/56/27/568435627.db2.gz FAOVCSXTFNRIEW-UHFFFAOYSA-N 0 0 407.474 1.713 50 0 HDAARN Cc1nccn1-c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cn1 ZINC000048279665 568435823 /nfs/dbraw/zinc/43/58/23/568435823.db2.gz HSORTPAGHOYSTG-UHFFFAOYSA-N 0 0 416.463 1.177 50 0 HDAARN CCCC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000048302084 568437517 /nfs/dbraw/zinc/43/75/17/568437517.db2.gz IXGHGHXQEVIPOC-UHFFFAOYSA-N 0 0 402.538 1.379 50 0 HDAARN CCc1c(C(=O)NCc2ccc(-n3cncn3)nc2)cnn1-c1ccc(OC)nn1 ZINC000048325315 568438480 /nfs/dbraw/zinc/43/84/80/568438480.db2.gz VOYCAUGJRWIDNB-UHFFFAOYSA-N 0 0 405.422 1.139 50 0 HDAARN O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000048331743 568439833 /nfs/dbraw/zinc/43/98/33/568439833.db2.gz FJUVVRQMVFZWKT-UHFFFAOYSA-N 0 0 420.473 1.845 50 0 HDAARN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC[C@@H]1COc2ccccc2O1 ZINC000048332106 568439968 /nfs/dbraw/zinc/43/99/68/568439968.db2.gz TZRHSJANXWHYHH-GFCCVEGCSA-N 0 0 412.414 1.589 50 0 HDAARN COCCCNC(=O)CSc1nnc2c(=O)n(Cc3ccc(F)cc3)ccn12 ZINC000048987614 568443979 /nfs/dbraw/zinc/44/39/79/568443979.db2.gz NDUFESHYKLEOEB-UHFFFAOYSA-N 0 0 405.455 1.323 50 0 HDAARN Cc1nc(C)c(-c2ccc(=O)n(CCNS(=O)(=O)c3c(C)noc3C)n2)s1 ZINC000049030841 568445903 /nfs/dbraw/zinc/44/59/03/568445903.db2.gz CXMWZMLMBOLNEU-UHFFFAOYSA-N 0 0 409.493 1.567 50 0 HDAARN O=C(C1=NN(Cc2ccccc2F)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000049402617 568448085 /nfs/dbraw/zinc/44/80/85/568448085.db2.gz KGSDMNAHHHYGAL-UHFFFAOYSA-N 0 0 403.435 1.792 50 0 HDAARN O=c1n(Cc2ccccc2Cl)nc2ccc(S(=O)(=O)N3CCOCC3)cn21 ZINC000049408110 568449232 /nfs/dbraw/zinc/44/92/32/568449232.db2.gz OTOUKBWMJBOOLR-UHFFFAOYSA-N 0 0 408.867 1.219 50 0 HDAARN COc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCCCC4)cn3c2=O)cc1 ZINC000049407888 568449290 /nfs/dbraw/zinc/44/92/90/568449290.db2.gz HNHKAYQKFIGPAH-UHFFFAOYSA-N 0 0 402.476 1.728 50 0 HDAARN CCc1cccc(C)c1NC(=O)Cn1cccc(S(=O)(=O)N2CCOCC2)c1=O ZINC000049409329 568449713 /nfs/dbraw/zinc/44/97/13/568449713.db2.gz FFZVFRQEKNDEQY-UHFFFAOYSA-N 0 0 419.503 1.379 50 0 HDAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCC(C(=O)OCC)CC2)c1=O ZINC000049409860 568449802 /nfs/dbraw/zinc/44/98/02/568449802.db2.gz JPNORTMBICGQHL-UHFFFAOYSA-N 0 0 408.480 1.362 50 0 HDAARN CCCS(=O)(=O)N1CCC(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000049462058 568450839 /nfs/dbraw/zinc/45/08/39/568450839.db2.gz UMGIZJVJEGPMSP-UHFFFAOYSA-N 0 0 407.492 1.498 50 0 HDAARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000049549883 568451818 /nfs/dbraw/zinc/45/18/18/568451818.db2.gz CTCZLDULRMHGKG-IBGZPJMESA-N 0 0 409.417 1.950 50 0 HDAARN CCCn1c(N)c(N(CCOC)C(=O)Cc2cccc3ccccc32)c(=O)[nH]c1=O ZINC000005674406 568453610 /nfs/dbraw/zinc/45/36/10/568453610.db2.gz AJSVLNJNXLANMS-UHFFFAOYSA-N 0 0 410.474 1.904 50 0 HDAARN COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2C)n(C)c1=O ZINC000012231685 568453818 /nfs/dbraw/zinc/45/38/18/568453818.db2.gz OFOXXZYRDNUWEL-UHFFFAOYSA-N 0 0 422.489 1.702 50 0 HDAARN Cc1ccccc1OC[C@H](O)Cn1c(NCC(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012232405 568454212 /nfs/dbraw/zinc/45/42/12/568454212.db2.gz SNKOUILSDFITHZ-OAHLLOKOSA-N 0 0 415.494 1.250 50 0 HDAARN CC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000012232274 568454261 /nfs/dbraw/zinc/45/42/61/568454261.db2.gz SXRNZWHHHQQKBS-LBPRGKRZSA-N 0 0 407.858 1.337 50 0 HDAARN Cc1ccccc1OC[C@@H](O)Cn1c(NCC(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000012232410 568454302 /nfs/dbraw/zinc/45/43/02/568454302.db2.gz SNKOUILSDFITHZ-HNNXBMFYSA-N 0 0 415.494 1.250 50 0 HDAARN CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)c(C)n1 ZINC000000648942 568457499 /nfs/dbraw/zinc/45/74/99/568457499.db2.gz HIRUDDJWWCUVFS-GTENMVSRSA-N 0 0 422.510 1.933 50 0 HDAARN CCc1ccc(OC[C@H](O)Cn2c(SC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000678544 568461435 /nfs/dbraw/zinc/46/14/35/568461435.db2.gz WABMLQIEFASXHX-CQSZACIVSA-N 0 0 418.519 1.926 50 0 HDAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC(C(N)=O)CC1 ZINC000021131315 568462108 /nfs/dbraw/zinc/46/21/08/568462108.db2.gz QFECTEYVHTVDSY-HNNXBMFYSA-N 0 0 422.551 1.386 50 0 HDAARN O=C1N(CCCN2c3ccccc3C3(OCCO3)C2=O)c2ccccc2C12OCCO2 ZINC000000705017 568463057 /nfs/dbraw/zinc/46/30/57/568463057.db2.gz SSOLOEVBZDSGPR-UHFFFAOYSA-N 0 0 422.437 1.869 50 0 HDAARN Cc1cccc(S(=O)(=O)NCCC(=O)OCN2C(=O)c3ccccc3C2=O)c1 ZINC000006949043 568465542 /nfs/dbraw/zinc/46/55/42/568465542.db2.gz HHAMYOJKHOJNCY-UHFFFAOYSA-N 0 0 402.428 1.460 50 0 HDAARN CC1(C)Cc2c(sc3c2c(=O)n([C@@H]2CCOC(C)(C)C2)c(=O)n3CC(N)=O)CO1 ZINC000012321081 568470642 /nfs/dbraw/zinc/47/06/42/568470642.db2.gz DNNWIPZQVWAJCR-LLVKDONJSA-N 0 0 421.519 1.691 50 0 HDAARN O=C(c1ccc2cc[nH]c2c1)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012322944 568471204 /nfs/dbraw/zinc/47/12/04/568471204.db2.gz DWEGRDPARGCJPZ-UHFFFAOYSA-N 0 0 411.443 1.851 50 0 HDAARN COc1ccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)cc1-c1nn[nH]n1 ZINC000217761665 568473774 /nfs/dbraw/zinc/47/37/74/568473774.db2.gz WPDCJQMPLMEDSK-HNNXBMFYSA-N 0 0 421.417 1.345 50 0 biogenic HDAARN CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000024869313 568473820 /nfs/dbraw/zinc/47/38/20/568473820.db2.gz PJPLAZPPEUJDFY-PBHICJAKSA-N 0 0 421.519 1.645 50 0 HDAARN O=C([C@@H]1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000008114711 568491969 /nfs/dbraw/zinc/49/19/69/568491969.db2.gz YDGDURWOHWVUEH-INIZCTEOSA-N 0 0 404.463 1.910 50 0 HDAARN COc1cc([C@H](CC(=O)NCc2ncn(C)n2)c2oc(C)cc(=O)c2O)ccc1O ZINC000604404962 568492501 /nfs/dbraw/zinc/49/25/01/568492501.db2.gz MSEIJRXHBMXRPL-ZDUSSCGKSA-N 0 0 414.418 1.335 50 0 biogenic HDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000604418706 568493000 /nfs/dbraw/zinc/49/30/00/568493000.db2.gz NJDZOGNCVFOWIB-IBGZPJMESA-N 0 0 420.469 1.548 50 0 HDAARN O=C(Cn1c(=O)c(F)cn([C@H]2CCCO2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000008328318 568497754 /nfs/dbraw/zinc/49/77/54/568497754.db2.gz CDRHRCBYGPNZCR-HXUWFJFHSA-N 0 0 415.465 1.939 50 0 HDAARN C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000033021117 568510453 /nfs/dbraw/zinc/51/04/53/568510453.db2.gz FRJMHQMDCFLYEF-LSDHHAIUSA-N 0 0 421.519 1.819 50 0 HDAARN CCn1c(N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc(=O)n(C)c1=O ZINC000033124479 568511199 /nfs/dbraw/zinc/51/11/99/568511199.db2.gz MHBLLPUROXDHEY-UHFFFAOYSA-N 0 0 400.479 1.108 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1 ZINC000020115833 568589517 /nfs/dbraw/zinc/58/95/17/568589517.db2.gz HPINZGDCZSXWAX-UHFFFAOYSA-N 0 0 423.535 1.834 50 0 HDAARN COC(=O)Nc1ccc(S(=O)(=O)NCc2cc(-c3cnccn3)nn2C)cc1 ZINC000390826383 568591205 /nfs/dbraw/zinc/59/12/05/568591205.db2.gz JNJWUMUDQDEJDZ-UHFFFAOYSA-N 0 0 402.436 1.534 50 0 HDAARN O=C(NCCn1cc(-c2nc(-c3ccccn3)no2)nn1)c1ccc2c(c1)OCO2 ZINC000390828192 568591608 /nfs/dbraw/zinc/59/16/08/568591608.db2.gz PJEWVJVYAOTGDQ-UHFFFAOYSA-N 0 0 405.374 1.549 50 0 HDAARN COc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000020411396 568605222 /nfs/dbraw/zinc/60/52/22/568605222.db2.gz CSLMAAAYLSBWRZ-IBGZPJMESA-N 0 0 404.426 1.956 50 0 biogenic HDAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)s1 ZINC000020414964 568605916 /nfs/dbraw/zinc/60/59/16/568605916.db2.gz VSDUUEHNEQJXMV-QGZVFWFLSA-N 0 0 418.567 1.610 50 0 HDAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 ZINC000095414194 568606945 /nfs/dbraw/zinc/60/69/45/568606945.db2.gz MSWWHJHLIYJKQK-VQIMIIECSA-N 0 0 406.442 1.457 50 0 HDAARN CN(Cc1cnn(C)c1)S(=O)(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000095432706 568609285 /nfs/dbraw/zinc/60/92/85/568609285.db2.gz FXRKCCYHSRDBKH-UHFFFAOYSA-N 0 0 411.915 1.208 50 0 HDAARN Cc1ccc(NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000095440947 568610560 /nfs/dbraw/zinc/61/05/60/568610560.db2.gz XXIUBVWODILVFH-AWEZNQCLSA-N 0 0 404.492 1.483 50 0 HDAARN CC(=O)NCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](O)C(F)(F)F)s1 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O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCCc1c[nH]cn1 ZINC000035558919 569044843 /nfs/dbraw/zinc/04/48/43/569044843.db2.gz DABABICSJNHMBL-UHFFFAOYSA-N 0 0 411.462 1.120 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)N3CCN(CC)CC3)n2C)c1 ZINC000035560962 569044995 /nfs/dbraw/zinc/04/49/95/569044995.db2.gz RMLDDHCESOZROH-UHFFFAOYSA-N 0 0 406.552 1.987 50 0 HDAARN O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012982385 569047321 /nfs/dbraw/zinc/04/73/21/569047321.db2.gz GGAXFRRXOPNGMG-UHFFFAOYSA-N 0 0 418.397 1.562 50 0 HDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Br)o2)cc1 ZINC000012988497 569047527 /nfs/dbraw/zinc/04/75/27/569047527.db2.gz CIWVNPLMQUYYBL-UHFFFAOYSA-N 0 0 403.254 1.759 50 0 HDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000012989129 569047575 /nfs/dbraw/zinc/04/75/75/569047575.db2.gz CZXWEXUHOJOARQ-CMPLNLGQSA-N 0 0 401.282 1.105 50 0 HDAARN CCS(=O)(=O)N1CCC(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000012984650 569047678 /nfs/dbraw/zinc/04/76/78/569047678.db2.gz WJIDDIHDPAROOS-UHFFFAOYSA-N 0 0 403.545 1.564 50 0 HDAARN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000013010777 569050108 /nfs/dbraw/zinc/05/01/08/569050108.db2.gz TVXSQFPPTSUOIV-GFCCVEGCSA-N 0 0 401.421 1.791 50 0 HDAARN O=C(C1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000013015760 569050845 /nfs/dbraw/zinc/05/08/45/569050845.db2.gz ZOGOLVVGYMWJAU-AWEZNQCLSA-N 0 0 420.307 1.883 50 0 HDAARN Cc1noc(C)c1CCC(=O)N1CCN(c2nn3c(nc(=O)cc3C)s2)CC1 ZINC000013018403 569051005 /nfs/dbraw/zinc/05/10/05/569051005.db2.gz KHXXUODSKXZHHM-UHFFFAOYSA-N 0 0 402.480 1.346 50 0 HDAARN COC(=O)c1cn(-c2ccc(N3CCCCS3(=O)=O)cc2)cc2c(=O)[nH]nc1-2 ZINC000253409943 569051417 /nfs/dbraw/zinc/05/14/17/569051417.db2.gz MQPZKYWAFJLPQB-UHFFFAOYSA-N 0 0 402.432 1.382 50 0 HDAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000524729791 569051652 /nfs/dbraw/zinc/05/16/52/569051652.db2.gz JIKHAZNPYJTRFB-SFHVURJKSA-N 0 0 406.442 1.192 50 0 biogenic HDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H]([C@H](C)O)N[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@H]2C1=O ZINC000245255902 569055528 /nfs/dbraw/zinc/05/55/28/569055528.db2.gz MHUDSBSAPUUZHC-UNDAKJRMSA-N 0 0 405.882 1.548 50 0 HDAARN O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1)C1CC1 ZINC000001860586 569056734 /nfs/dbraw/zinc/05/67/34/569056734.db2.gz SFEZTTPJZOEKGI-SFHVURJKSA-N 0 0 422.363 1.015 50 0 HDAARN CN(Cc1ccccc1)C(=O)NCCC(=O)NC1CCC(N2C(=O)CCC2=O)CC1 ZINC000089361333 569058738 /nfs/dbraw/zinc/05/87/38/569058738.db2.gz IAYUNWLORXTUPG-UHFFFAOYSA-N 0 0 414.506 1.795 50 0 HDAARN O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000006489848 569059618 /nfs/dbraw/zinc/05/96/18/569059618.db2.gz ZHSXJWOKIPGJFN-UHFFFAOYSA-N 0 0 417.516 1.803 50 0 HDAARN COc1nc(N=NCc2ccc(N(C)C)c([N+](=O)[O-])c2)nc(N2CCOCC2)n1 ZINC000252611519 569060807 /nfs/dbraw/zinc/06/08/07/569060807.db2.gz IKEOHEULTDZSOP-UHFFFAOYSA-N 0 0 402.415 1.137 50 0 HDAARN Cc1[nH]c2ccccc2c1CN=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000252616305 569060922 /nfs/dbraw/zinc/06/09/22/569060922.db2.gz JZESKBNIHCCPEI-UHFFFAOYSA-N 0 0 422.493 1.781 50 0 HDAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000006508689 569061922 /nfs/dbraw/zinc/06/19/22/569061922.db2.gz VPQKZOMSIFVUPC-UHFFFAOYSA-N 0 0 407.382 1.613 50 0 HDAARN COCCN(CCOC)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000006542796 569064737 /nfs/dbraw/zinc/06/47/37/569064737.db2.gz OVYQFPLYLAEMIR-UHFFFAOYSA-N 0 0 401.459 1.587 50 0 HDAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccccc3)C2=O)cc1OC ZINC000006549343 569064850 /nfs/dbraw/zinc/06/48/50/569064850.db2.gz DWEDTRKRBUPTDF-JOCHJYFZSA-N 0 0 411.458 1.830 50 0 HDAARN CCCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1C ZINC000006551630 569065378 /nfs/dbraw/zinc/06/53/78/569065378.db2.gz FQUNIGQWZJQAAH-UHFFFAOYSA-N 0 0 418.519 1.932 50 0 HDAARN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnc(C)cn2)c(=O)[nH]c1=O ZINC000006581903 569067929 /nfs/dbraw/zinc/06/79/29/569067929.db2.gz JTKXECSQXJJKTB-UHFFFAOYSA-N 0 0 408.462 1.864 50 0 HDAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000006590804 569068729 /nfs/dbraw/zinc/06/87/29/569068729.db2.gz DWMBMUVWSRDZOP-UHFFFAOYSA-N 0 0 408.871 1.989 50 0 HDAARN O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCC2)n1)NC1CCCC1 ZINC000006602549 569069930 /nfs/dbraw/zinc/06/99/30/569069930.db2.gz OWBOCQXDPIZYAZ-UHFFFAOYSA-N 0 0 417.462 1.513 50 0 HDAARN CNS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1OC ZINC000026992206 569070026 /nfs/dbraw/zinc/07/00/26/569070026.db2.gz OCHPILZLPCVCFB-UHFFFAOYSA-N 0 0 403.460 1.748 50 0 HDAARN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000089556309 569070194 /nfs/dbraw/zinc/07/01/94/569070194.db2.gz FQDZMCPLDZODRS-UHFFFAOYSA-N 0 0 402.842 1.386 50 0 HDAARN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000169365380 569071135 /nfs/dbraw/zinc/07/11/35/569071135.db2.gz BDDZZYNKYFWICZ-OCCSQVGLSA-N 0 0 420.940 1.044 50 0 HDAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000004250821 569071162 /nfs/dbraw/zinc/07/11/62/569071162.db2.gz NJSLPYCRVQWTMO-UHFFFAOYSA-N 0 0 411.462 1.801 50 0 HDAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCN(C(=O)c2ccco2)CC1 ZINC000004520675 569071335 /nfs/dbraw/zinc/07/13/35/569071335.db2.gz ZUMMLBAUTPFBFX-UHFFFAOYSA-N 0 0 410.224 1.350 50 0 HDAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(-n2cnnn2)cc1 ZINC000006607921 569071841 /nfs/dbraw/zinc/07/18/41/569071841.db2.gz FYZRBHDUCDMGHJ-UHFFFAOYSA-N 0 0 412.425 1.345 50 0 HDAARN Cc1ccc2nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)n2c1 ZINC000006609244 569071978 /nfs/dbraw/zinc/07/19/78/569071978.db2.gz KXTXJNAHJPSEGS-OAQYLSRUSA-N 0 0 406.398 1.699 50 0 HDAARN COc1cc(CC(=O)N2CCCO[C@@H](Cn3cccn3)C2)c(C(C)=O)cc1OC ZINC000426415364 569072886 /nfs/dbraw/zinc/07/28/86/569072886.db2.gz MCBMSYBIMXFRHG-QGZVFWFLSA-N 0 0 401.463 1.963 50 0 HDAARN O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426548544 569073370 /nfs/dbraw/zinc/07/33/70/569073370.db2.gz QGZUNYPRSRKGFE-INIZCTEOSA-N 0 0 404.426 1.727 50 0 HDAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)Cn4ccnc4)C3)C2=O)c1OC ZINC000426737324 569074089 /nfs/dbraw/zinc/07/40/89/569074089.db2.gz CEXSAJLVKWHPAQ-JOCHJYFZSA-N 0 0 412.490 1.942 50 0 HDAARN CCCNC(=O)[C@@H]1COC2(CCN(C(=O)CC)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986408 569074200 /nfs/dbraw/zinc/07/42/00/569074200.db2.gz XXSJAUZKYBIBFT-SFHVURJKSA-N 0 0 417.506 1.791 50 0 HDAARN CCOC(=O)C1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3OC)on2)CC1 ZINC000036001443 569075149 /nfs/dbraw/zinc/07/51/49/569075149.db2.gz UTUVDXGXSFNPBS-UHFFFAOYSA-N 0 0 415.446 1.882 50 0 HDAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)CO ZINC000006623697 569075277 /nfs/dbraw/zinc/07/52/77/569075277.db2.gz XFWPWDQQYBXQBB-UQZOUDNFSA-N 0 0 405.520 1.284 50 0 biogenic HDAARN COc1ccc(-c2nnn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)n2)cc1OC ZINC000006625433 569075795 /nfs/dbraw/zinc/07/57/95/569075795.db2.gz GDYPWPWXXCNUMH-UHFFFAOYSA-N 0 0 410.434 1.698 50 0 HDAARN COCCN1C(=O)[C@H](C(C)C)NC12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024482 569077642 /nfs/dbraw/zinc/07/76/42/569077642.db2.gz NBHQDGIQPXTMAI-SFHVURJKSA-N 0 0 409.552 1.579 50 0 HDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1 ZINC000006653036 569081633 /nfs/dbraw/zinc/08/16/33/569081633.db2.gz UQJJETGCRZIAPZ-UHFFFAOYSA-N 0 0 406.460 1.783 50 0 HDAARN COc1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1OC ZINC000006669994 569086608 /nfs/dbraw/zinc/08/66/08/569086608.db2.gz GONFBFBBZNUUBJ-HXUWFJFHSA-N 0 0 412.442 1.828 50 0 HDAARN COCCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085158 569087579 /nfs/dbraw/zinc/08/75/79/569087579.db2.gz NUXZYWUHEXOOOL-UHFFFAOYSA-N 0 0 416.384 1.097 50 0 HDAARN O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036085898 569087706 /nfs/dbraw/zinc/08/77/06/569087706.db2.gz DCFFAHXACXMTBC-SFHVURJKSA-N 0 0 406.442 1.351 50 0 HDAARN Cc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccccc3)c2=O)c1 ZINC000036086023 569087808 /nfs/dbraw/zinc/08/78/08/569087808.db2.gz WAZCBCURERBKNJ-IBGZPJMESA-N 0 0 420.469 1.660 50 0 HDAARN COCCNC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)n(Cc2cccc(C)c2)c1=O ZINC000036086334 569087947 /nfs/dbraw/zinc/08/79/47/569087947.db2.gz OSYIEMFLJCFWDI-UHFFFAOYSA-N 0 0 422.485 1.744 50 0 HDAARN CC[C@@H](C)NC(=O)c1nn(-c2ccc(OC)cc2)c(=O)n(Cc2ccccc2)c1=O ZINC000036087136 569088293 /nfs/dbraw/zinc/08/82/93/569088293.db2.gz XZCQYCZXMJPCID-OAHLLOKOSA-N 0 0 408.458 1.979 50 0 HDAARN O=C(Cn1c(=O)cccc1C(=O)NCc1cc(F)cc(F)c1)NCc1ccco1 ZINC000064755204 569089756 /nfs/dbraw/zinc/08/97/56/569089756.db2.gz IKFWTWAZMOHOLB-UHFFFAOYSA-N 0 0 401.369 1.966 50 0 HDAARN CCCCNC(=O)Cn1c2c(C)nn(CC)c2c(=O)n(Cc2cccs2)c1=O ZINC000064775045 569093425 /nfs/dbraw/zinc/09/34/25/569093425.db2.gz USKGUAGHUNRFNK-UHFFFAOYSA-N 0 0 403.508 1.714 50 0 HDAARN CCn1cc(C(=O)NCC(=O)NCc2cccnc2)c(=O)c2cc3c(cc21)OCO3 ZINC000006719340 569097778 /nfs/dbraw/zinc/09/77/78/569097778.db2.gz RRXQJVIPRDSPLU-UHFFFAOYSA-N 0 0 408.414 1.191 50 0 HDAARN CCOC(=O)N1CCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000006725302 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CCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)N1CCc2ccccc21 ZINC000004942066 559213295 /nfs/dbraw/zinc/21/32/95/559213295.db2.gz FLGIOHJYKBAVAA-UHFFFAOYSA-N 0 0 410.499 1.876 50 0 HDAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1CCCO1 ZINC000004948033 559213913 /nfs/dbraw/zinc/21/39/13/559213913.db2.gz CQHQMUYLCQLGMJ-MRXNPFEDSA-N 0 0 410.492 1.313 50 0 HDAARN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOC)C2)cc1Cl ZINC000004944026 559214666 /nfs/dbraw/zinc/21/46/66/559214666.db2.gz NNHHAUQWGZKSSQ-CYBMUJFWSA-N 0 0 404.916 1.902 50 0 HDAARN CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000408520905 559215054 /nfs/dbraw/zinc/21/50/54/559215054.db2.gz AQDPSTKSFLABNP-MRXNPFEDSA-N 0 0 407.492 1.609 50 0 HDAARN Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1CC(=O)Nc1cccc(F)c1 ZINC000004971866 559220975 /nfs/dbraw/zinc/22/09/75/559220975.db2.gz GENCESJXYICCHJ-UHFFFAOYSA-N 0 0 412.381 1.297 50 0 HDAARN O=C(COC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000004985383 559224316 /nfs/dbraw/zinc/22/43/16/559224316.db2.gz NMRKAHCPMQZBPR-UHFFFAOYSA-N 0 0 410.473 1.565 50 0 HDAARN CCN1CCN(C(=O)CCc2nnc(CCc3ccccc3OC)o2)[C@@H](C)C1=O ZINC000011705051 559229901 /nfs/dbraw/zinc/22/99/01/559229901.db2.gz HELISQKHHHDRDE-HNNXBMFYSA-N 0 0 400.479 1.875 50 0 HDAARN O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)N1CCc2ccccc21 ZINC000005032197 559231315 /nfs/dbraw/zinc/23/13/15/559231315.db2.gz NSCHGEYOWZIQOZ-UHFFFAOYSA-N 0 0 404.405 1.765 50 0 HDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc(F)cc2F)c3=O)cc1 ZINC000005033329 559231670 /nfs/dbraw/zinc/23/16/70/559231670.db2.gz WTSQAYJALIMOGW-UHFFFAOYSA-N 0 0 412.356 1.903 50 0 HDAARN COc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C)cc2)c1=O ZINC000005031683 559231911 /nfs/dbraw/zinc/23/19/11/559231911.db2.gz LHHLTMXLXQNGMF-UHFFFAOYSA-N 0 0 404.430 1.992 50 0 HDAARN COc1cccc(CNC(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1 ZINC000005040775 559235716 /nfs/dbraw/zinc/23/57/16/559235716.db2.gz KESARAVPAALVTO-QKKBWIMNSA-N 0 0 417.462 1.355 50 0 HDAARN CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000005042346 559235791 /nfs/dbraw/zinc/23/57/91/559235791.db2.gz CNPRYUJGBXOHLI-UHFFFAOYSA-N 0 0 421.519 1.479 50 0 HDAARN NC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)CC1 ZINC000005087167 559243129 /nfs/dbraw/zinc/24/31/29/559243129.db2.gz KAIIQEZOPNBHBC-UHFFFAOYSA-N 0 0 410.474 1.170 50 0 HDAARN COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl ZINC000005126037 559248359 /nfs/dbraw/zinc/24/83/59/559248359.db2.gz JKKXPUQJWPEKMI-UHFFFAOYSA-N 0 0 412.277 1.847 50 0 biogenic HDAARN Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)sc2n1 ZINC000005149006 559253121 /nfs/dbraw/zinc/25/31/21/559253121.db2.gz XQBJCELVGRKZPO-AWEZNQCLSA-N 0 0 419.507 1.041 50 0 HDAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000247993898 559258930 /nfs/dbraw/zinc/25/89/30/559258930.db2.gz LSZLLHHNTDQOON-BYNSBNAKSA-N 0 0 402.451 1.674 50 0 HDAARN COCCCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000011845187 559261815 /nfs/dbraw/zinc/26/18/15/559261815.db2.gz VNBFRHPVINMRDR-UHFFFAOYSA-N 0 0 402.426 1.775 50 0 HDAARN COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1 ZINC000011904903 559266296 /nfs/dbraw/zinc/26/62/96/559266296.db2.gz QRZBCFBMIHDVLL-CYBMUJFWSA-N 0 0 424.500 1.486 50 0 HDAARN COc1ccc(C(=O)NCCc2nnc3ccccn32)cc1S(=O)(=O)NC1CC1 ZINC000011915328 559267776 /nfs/dbraw/zinc/26/77/76/559267776.db2.gz SAOBAGOORDKOIC-UHFFFAOYSA-N 0 0 415.475 1.151 50 0 HDAARN CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCC(=O)[O-])[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O ZINC000248252306 559269400 /nfs/dbraw/zinc/26/94/00/559269400.db2.gz SUUCXYAJPPITLV-GICSVVSGSA-N 0 0 419.865 1.724 50 0 HDAARN CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CC)[C@H]1CCS(=O)(=O)C1 ZINC000012001025 559270519 /nfs/dbraw/zinc/27/05/19/559270519.db2.gz ZDWVKDOWDQTCDG-KBPBESRZSA-N 0 0 423.560 1.933 50 0 HDAARN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4(CO)CC4)C3)C2=O)c1OC ZINC000426477672 559271728 /nfs/dbraw/zinc/27/17/28/559271728.db2.gz DMLMCHXMEBIHSH-NRFANRHFSA-N 0 0 402.491 1.817 50 0 HDAARN Cc1ccc(F)cc1S(=O)(=O)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000252586820 559278537 /nfs/dbraw/zinc/27/85/37/559278537.db2.gz SWFZQNRVDOCOHL-SFHVURJKSA-N 0 0 409.527 1.841 50 0 HDAARN Cn1c2ncn([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000005172965 559287899 /nfs/dbraw/zinc/28/78/99/559287899.db2.gz FGSLNKZZOZQICB-INIZCTEOSA-N 0 0 407.405 1.801 50 0 HDAARN COc1cccc(NC(=O)C[C@H](C[NH+]2CCN(Cc3cccnc3)CC2)C(=O)[O-])c1 ZINC000061721661 560537976 /nfs/dbraw/zinc/53/79/76/560537976.db2.gz KWJKROMTFFFHQS-GOSISDBHSA-N 0 0 412.490 1.937 50 0 HDAARN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000005203218 560538180 /nfs/dbraw/zinc/53/81/80/560538180.db2.gz MLCJSEOIAPTUPC-GFCCVEGCSA-N 0 0 402.428 1.524 50 0 biogenic HDAARN C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000080332488 560541894 /nfs/dbraw/zinc/54/18/94/560541894.db2.gz DGWFJMCVCIMXLR-CQSZACIVSA-N 0 0 402.886 1.667 50 0 HDAARN O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCC1CCOCC1 ZINC000206246799 560555152 /nfs/dbraw/zinc/55/51/52/560555152.db2.gz JSYPSXGBTGHNCD-OAHLLOKOSA-N 0 0 403.435 1.159 50 0 HDAARN Cc1nc(NC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)sc1C ZINC000206251818 560555456 /nfs/dbraw/zinc/55/54/56/560555456.db2.gz HWNMFYOTQOJZKA-GFCCVEGCSA-N 0 0 402.432 1.938 50 0 HDAARN OC[C@H]1O[C@H](Nc2ccc(-c3ccc(N[C@@H]4C[C@H](O)[C@H](CO)O4)cc3)cc2)C[C@@H]1O ZINC000101833307 560557122 /nfs/dbraw/zinc/55/71/22/560557122.db2.gz ZFHIYGZRUYXRLI-BPIQYHPVSA-N 0 0 416.474 1.114 50 0 HDAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N1CCCCC1 ZINC000005271521 560561076 /nfs/dbraw/zinc/56/10/76/560561076.db2.gz PQJZENSLMBSINA-YWZLYKJASA-N 0 0 415.490 1.922 50 0 HDAARN COc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=N2)cc1 ZINC000005274246 560561236 /nfs/dbraw/zinc/56/12/36/560561236.db2.gz QFGREYGDUQMBDC-IBGZPJMESA-N 0 0 407.474 1.700 50 0 HDAARN Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000005291735 560562100 /nfs/dbraw/zinc/56/21/00/560562100.db2.gz OHVOSVQOABUFND-OAHLLOKOSA-N 0 0 421.519 1.902 50 0 HDAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000005295437 560562314 /nfs/dbraw/zinc/56/23/14/560562314.db2.gz VWCPCAAYQHTEDQ-SFHVURJKSA-N 0 0 421.494 1.586 50 0 HDAARN COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)Nc1cc(C)on1 ZINC000005286817 560562629 /nfs/dbraw/zinc/56/26/29/560562629.db2.gz DPHQARBVFMKTFU-UHFFFAOYSA-N 0 0 407.448 1.633 50 0 HDAARN COc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000005302076 560562781 /nfs/dbraw/zinc/56/27/81/560562781.db2.gz MBCGJVMPZADYJS-UHFFFAOYSA-N 0 0 403.504 1.577 50 0 HDAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 ZINC000005302545 560562828 /nfs/dbraw/zinc/56/28/28/560562828.db2.gz ASLVALXVSOBMRH-ZDUSSCGKSA-N 0 0 416.455 1.833 50 0 biogenic HDAARN O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000005302276 560562844 /nfs/dbraw/zinc/56/28/44/560562844.db2.gz JEPSFZKIGPUQIU-UHFFFAOYSA-N 0 0 409.458 1.847 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)c2coc(NC(=O)c3ccccc3)n2)cc1 ZINC000062022997 560567631 /nfs/dbraw/zinc/56/76/31/560567631.db2.gz KHXBDGRXFBIITJ-UHFFFAOYSA-N 0 0 414.443 1.547 50 0 HDAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000005449517 560588535 /nfs/dbraw/zinc/58/85/35/560588535.db2.gz DSZYBBCZIUZOSR-UHFFFAOYSA-N 0 0 419.434 1.456 50 0 HDAARN CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000005450174 560588661 /nfs/dbraw/zinc/58/86/61/560588661.db2.gz HVWIRRKQCRMRMM-IBGZPJMESA-N 0 0 401.444 1.902 50 0 HDAARN CCCCn1nnnc1COC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000005506164 560598941 /nfs/dbraw/zinc/59/89/41/560598941.db2.gz SVGKQEHFNACAQD-ORAYPTAESA-N 0 0 406.487 1.653 50 0 HDAARN Nc1nc(SCC(=O)N2CCCCC2)[nH]c(=O)c1NC(=O)c1ccccc1F ZINC000005081354 560623259 /nfs/dbraw/zinc/62/32/59/560623259.db2.gz YDEWCQLRMAWOHK-UHFFFAOYSA-N 0 0 405.455 1.848 50 0 HDAARN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NCCC3=CCCCC3)c2c1 ZINC000005457246 560626574 /nfs/dbraw/zinc/62/65/74/560626574.db2.gz DJBWEXOCBDYIPR-UHFFFAOYSA-N 0 0 407.496 1.117 50 0 HDAARN COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000005602577 560629329 /nfs/dbraw/zinc/62/93/29/560629329.db2.gz CSQNULDAEAMQDQ-LBPRGKRZSA-N 0 0 402.469 1.940 50 0 HDAARN Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1-n1cnnn1 ZINC000062580440 560631426 /nfs/dbraw/zinc/63/14/26/560631426.db2.gz SQASHQMAWIHEHB-HNNXBMFYSA-N 0 0 424.490 1.933 50 0 HDAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1[C@H]2C(=O)N(Cc3ccco3)C[C@@]23C=C[C@@H]1O3 ZINC000006764571 560634890 /nfs/dbraw/zinc/63/48/90/560634890.db2.gz IEVFGYQQWWPZMZ-FUOQNJDISA-N 0 0 408.410 1.972 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000008979478 560640460 /nfs/dbraw/zinc/64/04/60/560640460.db2.gz YMMXHBHLQBWQLJ-QGZVFWFLSA-N 0 0 413.455 1.670 50 0 HDAARN CCCn1c(N)c(C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000017307952 560707686 /nfs/dbraw/zinc/70/76/86/560707686.db2.gz 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568692152 /nfs/dbraw/zinc/69/21/52/568692152.db2.gz XKKLLBXVXLNPSW-UHFFFAOYSA-N 0 0 402.432 1.000 50 0 HDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000012390700 568694810 /nfs/dbraw/zinc/69/48/10/568694810.db2.gz JSYPVDUKXBPAMU-UHFFFAOYSA-N 0 0 418.500 1.847 50 0 HDAARN Cn1ccnc1C(=O)c1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 ZINC000096116023 568695429 /nfs/dbraw/zinc/69/54/29/568695429.db2.gz RLBNPKOPQDKRCJ-QGZVFWFLSA-N 0 0 417.425 1.730 50 0 biogenic HDAARN CN1C(=O)C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccc1 ZINC000012391326 568695717 /nfs/dbraw/zinc/69/57/17/568695717.db2.gz GEUOOIJHBDMIGM-MJGOQNOKSA-N 0 0 401.488 1.212 50 0 HDAARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCc1nnc2ccccn21 ZINC000096118811 568698494 /nfs/dbraw/zinc/69/84/94/568698494.db2.gz IVHDAPSNNNQWQA-KRWDZBQOSA-N 0 0 420.473 1.331 50 0 HDAARN O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cncc(Br)c1 ZINC000096120421 568699297 /nfs/dbraw/zinc/69/92/97/568699297.db2.gz IORNEOGMEGHULV-UHFFFAOYSA-N 0 0 402.314 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O=S(=O)(NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc2ccccc21 ZINC000575617377 569037282 /nfs/dbraw/zinc/03/72/82/569037282.db2.gz SYMBOTPQJMFDOY-QGZVFWFLSA-N 0 0 408.545 1.770 50 0 HDAARN COc1ccc(-c2cc(=O)n(CCNC(=O)Cn3nc(C4CC4)ccc3=O)cn2)cc1 ZINC000575618537 569038014 /nfs/dbraw/zinc/03/80/14/569038014.db2.gz CGXOQIOCLUWVPH-UHFFFAOYSA-N 0 0 421.457 1.169 50 0 HDAARN O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575619775 569038772 /nfs/dbraw/zinc/03/87/72/569038772.db2.gz LLXOVJOEVCNNQD-UHFFFAOYSA-N 0 0 410.503 1.662 50 0 HDAARN O=S(=O)(NCCCc1cnc2ncnn2c1)c1ccc(OC(F)(F)F)cc1 ZINC000225646564 569039386 /nfs/dbraw/zinc/03/93/86/569039386.db2.gz XBBGHGKBLDIRNO-UHFFFAOYSA-N 0 0 401.370 1.934 50 0 HDAARN Cn1c(=O)n(CCNC(=O)c2ccc(Cn3ccnc3)cc2)nc1-c1ccccn1 ZINC000090590999 569041418 /nfs/dbraw/zinc/04/14/18/569041418.db2.gz OEQJQBYCJGOMEB-UHFFFAOYSA-N 0 0 403.446 1.319 50 0 HDAARN Cc1cc(=O)n(CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cn1 ZINC000090592352 569041498 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Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000021149808 568461855 /nfs/dbraw/zinc/46/18/55/568461855.db2.gz LVEJLVULAWTOIT-UHFFFAOYSA-N 0 0 404.521 1.539 50 0 HDAARN COc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCOCC2)cc1OC ZINC000021154061 568462065 /nfs/dbraw/zinc/46/20/65/568462065.db2.gz URTVUWFRMIMEBH-QGZVFWFLSA-N 0 0 409.508 1.394 50 0 HDAARN O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCCc1c[nH]c2ccccc12 ZINC000012296476 568462732 /nfs/dbraw/zinc/46/27/32/568462732.db2.gz BTXSGDCCZFSVKA-UHFFFAOYSA-N 0 0 417.469 1.743 50 0 biogenic HDAARN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000000705249 568463263 /nfs/dbraw/zinc/46/32/63/568463263.db2.gz TYBTZGUGMGLPGM-GOSISDBHSA-N 0 0 419.503 1.280 50 0 HDAARN COc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccccc4F)CC3)C2=O)cc1 ZINC000000706254 568463471 /nfs/dbraw/zinc/46/34/71/568463471.db2.gz ZAWJYNPCQQJCAP-IBGZPJMESA-N 0 0 411.433 1.924 50 0 HDAARN O=C(Nc1nnc(C(F)(F)F)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012321512 568470924 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423.469 1.359 50 0 biogenic HDAARN COc1cc2c(cc1OC)CN(C(=O)CCc1nnc3ccc(N(C)C)nn31)CC2 ZINC000604418936 568493095 /nfs/dbraw/zinc/49/30/95/568493095.db2.gz WOBDLPIZXAHCJM-UHFFFAOYSA-N 0 0 410.478 1.725 50 0 HDAARN Cn1cnc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)n1 ZINC000604419020 568493108 /nfs/dbraw/zinc/49/31/08/568493108.db2.gz KGJQGUHNXASXLS-HXUWFJFHSA-N 0 0 416.441 1.289 50 0 HDAARN O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000008328317 568497748 /nfs/dbraw/zinc/49/77/48/568497748.db2.gz CDRHRCBYGPNZCR-FQEVSTJZSA-N 0 0 415.465 1.939 50 0 HDAARN CCOC(=O)C1=C(COC(=O)[C@@H]2CCCO2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008392836 568500157 /nfs/dbraw/zinc/50/01/57/568500157.db2.gz RGKHEVXRONXALN-DOTOQJQBSA-N 0 0 404.419 1.589 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000023135013 568508466 /nfs/dbraw/zinc/50/84/66/568508466.db2.gz PAXDNRYSAZJUOD-UHFFFAOYSA-N 0 0 402.455 1.308 50 0 HDAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000033023871 568510406 /nfs/dbraw/zinc/51/04/06/568510406.db2.gz ILXZTBMRNVVPLN-QZTJIDSGSA-N 0 0 421.563 1.804 50 0 HDAARN COC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033265978 568512249 /nfs/dbraw/zinc/51/22/49/568512249.db2.gz DRMGJBMFWXGZSU-NRFANRHFSA-N 0 0 412.446 1.372 50 0 HDAARN C[C@H](O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1 ZINC000000838175 568515671 /nfs/dbraw/zinc/51/56/71/568515671.db2.gz ICEMPSFFMFHPLW-JTQLQIEISA-N 0 0 422.283 1.037 50 0 HDAARN C[C@H](NC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn21 ZINC000223230001 568541721 /nfs/dbraw/zinc/54/17/21/568541721.db2.gz QKGLSKHMTLLIGA-GOEBONIOSA-N 0 0 406.446 1.460 50 0 HDAARN C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)C[C@H](C)O1 ZINC000020051797 568586762 /nfs/dbraw/zinc/58/67/62/568586762.db2.gz DSTGEAUCFZISPI-STQMWFEESA-N 0 0 401.442 1.220 50 0 HDAARN Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000390826197 568591021 /nfs/dbraw/zinc/59/10/21/568591021.db2.gz FHRHPJBXLHJNEA-UHFFFAOYSA-N 0 0 424.486 1.191 50 0 HDAARN Cc1cc(C)n(-c2cc(N3CC(C(=O)NCC(=O)OCc4ccccc4)C3)ncn2)n1 ZINC000390826093 568591081 /nfs/dbraw/zinc/59/10/81/568591081.db2.gz BHXBAVUELSDQMQ-UHFFFAOYSA-N 0 0 420.473 1.575 50 0 HDAARN CCn1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(=O)c2ccc(C)nc21 ZINC000390828370 568591543 /nfs/dbraw/zinc/59/15/43/568591543.db2.gz ASVODZADRUTXCI-CQSZACIVSA-N 0 0 418.461 1.171 50 0 HDAARN O=C(C1CN(c2cc(-c3ccccc3)ncn2)C1)N1CCN(c2ncccn2)CC1 ZINC000390829207 568591741 /nfs/dbraw/zinc/59/17/41/568591741.db2.gz XHTXMPGIKMWFKC-UHFFFAOYSA-N 0 0 401.474 1.719 50 0 HDAARN Cc1nc(-n2cccc2)sc1C(=O)NC1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000390830478 568592105 /nfs/dbraw/zinc/59/21/05/568592105.db2.gz LIFVCXNFKCQPFH-OAHLLOKOSA-N 0 0 408.549 1.624 50 0 HDAARN COc1ccccc1-c1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)[nH]n1 ZINC000390831083 568592251 /nfs/dbraw/zinc/59/22/51/568592251.db2.gz PNNCJNGJMFQGTF-CYBMUJFWSA-N 0 0 404.434 1.532 50 0 HDAARN O=C(Cn1cc(-c2ccc(F)cc2)cn1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000390831440 568592264 /nfs/dbraw/zinc/59/22/64/568592264.db2.gz RVONVCOLVYYKCJ-QGZVFWFLSA-N 0 0 406.425 1.522 50 0 HDAARN COc1ccc(Cn2c(N)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)sc2=S)cc1 ZINC000094992842 568593516 /nfs/dbraw/zinc/59/35/16/568593516.db2.gz WTBHBXHXCCCXFP-LLVKDONJSA-N 0 0 413.546 1.835 50 0 HDAARN Cc1cccc(Cn2c(CN3C[C@H](C)O[C@@H](C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000020235261 568595347 /nfs/dbraw/zinc/59/53/47/568595347.db2.gz VXMFVTHQARODSY-HOTGVXAUSA-N 0 0 411.506 1.400 50 0 HDAARN C[C@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000020354940 568599636 /nfs/dbraw/zinc/59/96/36/568599636.db2.gz GWIOVTZIIPLQGD-STQMWFEESA-N 0 0 401.442 1.220 50 0 HDAARN COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc4c(c3)OCO4)=C2)c1 ZINC000020467459 568610544 /nfs/dbraw/zinc/61/05/44/568610544.db2.gz RIHMGTNCIHJDGE-UHFFFAOYSA-N 0 0 415.427 1.926 50 0 HDAARN COc1ccc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000095447012 568612220 /nfs/dbraw/zinc/61/22/20/568612220.db2.gz SANXOAUHPHTYOU-CJNGLKHVSA-N 0 0 410.492 1.660 50 0 HDAARN O=S1(=O)C[C@H](O)[C@H](N2CCN(c3nc4cc(C(F)(F)F)ccc4s3)CC2)C1 ZINC000095452413 568615143 /nfs/dbraw/zinc/61/51/43/568615143.db2.gz MQVKFDCPUZPFJU-OLZOCXBDSA-N 0 0 421.466 1.595 50 0 HDAARN COC(=O)CCN1CC[C@@H](NC(=O)c2ccccc2OCc2c(C)noc2C)C1=O ZINC000095452366 568615191 /nfs/dbraw/zinc/61/51/91/568615191.db2.gz IKXCQEAFTRHKOD-QGZVFWFLSA-N 0 0 415.446 1.764 50 0 HDAARN CC(C)(CCCO)CNC(=O)CNC(=O)c1ccccc1I ZINC000095459368 568619474 /nfs/dbraw/zinc/61/94/74/568619474.db2.gz YTHQZWCSLSEMKD-UHFFFAOYSA-N 0 0 418.275 1.936 50 0 HDAARN CCCn1ncc(C(=O)OCC)c1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000095461347 568620615 /nfs/dbraw/zinc/62/06/15/568620615.db2.gz OXBXGRDTRYZDTF-CQSZACIVSA-N 0 0 421.498 1.172 50 0 HDAARN COC(=O)c1ccc(C)c(S(=O)(=O)N(C)[C@](C)(C(=O)OC)c2ccccn2)c1 ZINC000095461684 568620920 /nfs/dbraw/zinc/62/09/20/568620920.db2.gz CGYXXZKSHODNNH-IBGZPJMESA-N 0 0 406.460 1.886 50 0 HDAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000020510866 568621255 /nfs/dbraw/zinc/62/12/55/568621255.db2.gz OTRRZFMFXAXWBJ-OAHLLOKOSA-N 0 0 401.916 1.245 50 0 HDAARN O=C(OCc1nnc(C2CC2)[nH]1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000095466570 568624383 /nfs/dbraw/zinc/62/43/83/568624383.db2.gz HUHPPWDASBCFNG-AWEZNQCLSA-N 0 0 406.464 1.496 50 0 HDAARN Cc1nc2n(c1CN1CCN(CCNS(=O)(=O)c3ccccc3)CC1)CCCC2 ZINC000095466677 568624397 /nfs/dbraw/zinc/62/43/97/568624397.db2.gz XCMLIHVRFNQQDR-UHFFFAOYSA-N 0 0 417.579 1.624 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCc3ccccc3)cc2C[C@H]1C ZINC000020529588 568626140 /nfs/dbraw/zinc/62/61/40/568626140.db2.gz GMBPLRQPSUEQHV-OAHLLOKOSA-N 0 0 415.515 1.969 50 0 HDAARN CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 ZINC000020529659 568626191 /nfs/dbraw/zinc/62/61/91/568626191.db2.gz XLZAWZZAFGCHNX-UONOGXRCSA-N 0 0 407.536 1.957 50 0 HDAARN COc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000020530432 568626890 /nfs/dbraw/zinc/62/68/90/568626890.db2.gz OPEMSONQBNDEPG-UHFFFAOYSA-N 0 0 401.444 1.844 50 0 HDAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000095474582 568629407 /nfs/dbraw/zinc/62/94/07/568629407.db2.gz XMMKGWAOJTZTFZ-UHFFFAOYSA-N 0 0 421.425 1.573 50 0 HDAARN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000095475376 568629738 /nfs/dbraw/zinc/62/97/38/568629738.db2.gz RVWFZPJOGWPTEK-LBPRGKRZSA-N 0 0 402.890 1.889 50 0 HDAARN COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000095475318 568629837 /nfs/dbraw/zinc/62/98/37/568629837.db2.gz LBFKNXPPAFYIMM-WOJBJXKFSA-N 0 0 412.442 1.904 50 0 HDAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc4ncn(C)c(=O)c4c3)CC2=O)c(OC)c1 ZINC000095477336 568631048 /nfs/dbraw/zinc/63/10/48/568631048.db2.gz ZSOHGFFKFYLEOD-ZDUSSCGKSA-N 0 0 422.441 1.942 50 0 HDAARN O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NC[C@H]1CCCO1 ZINC000095478355 568631697 /nfs/dbraw/zinc/63/16/97/568631697.db2.gz CWOGLFXFQMWUOF-HXUWFJFHSA-N 0 0 410.518 1.998 50 0 HDAARN COCCn1cnc2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2c1=O ZINC000095478285 568631706 /nfs/dbraw/zinc/63/17/06/568631706.db2.gz ITTBIKSMNYHKMP-UHFFFAOYSA-N 0 0 419.441 1.782 50 0 HDAARN O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020613953 568637440 /nfs/dbraw/zinc/63/74/40/568637440.db2.gz BHWBMMNXRGNZGY-GOSISDBHSA-N 0 0 411.458 1.221 50 0 HDAARN COc1ccc(C2=NN(CCC(=O)NCCCN3CCOCC3)C(=O)CC2)cc1 ZINC000020727225 568640658 /nfs/dbraw/zinc/64/06/58/568640658.db2.gz GUZIFEVUTBKZKS-UHFFFAOYSA-N 0 0 402.495 1.250 50 0 HDAARN CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020761574 568642471 /nfs/dbraw/zinc/64/24/71/568642471.db2.gz CEKODXFFWASLTC-UHFFFAOYSA-N 0 0 415.515 1.878 50 0 HDAARN COc1cc2ncn(CC(=O)NCCC(=O)Nc3nccs3)c(=O)c2cc1OC ZINC000020763705 568643034 /nfs/dbraw/zinc/64/30/34/568643034.db2.gz YPWAHUYKPTXBCY-UHFFFAOYSA-N 0 0 417.447 1.015 50 0 biogenic HDAARN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1 ZINC000020766239 568643203 /nfs/dbraw/zinc/64/32/03/568643203.db2.gz ZSUYHKDSUMYHCQ-PKOBYXMFSA-N 0 0 411.568 1.527 50 0 HDAARN C[C@@H](COc1nnc(-c2cccs2)o1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000020890664 568647698 /nfs/dbraw/zinc/64/76/98/568647698.db2.gz FKAPGKFNTVTSRK-NSHDSACASA-N 0 0 412.431 1.487 50 0 HDAARN CCOc1cc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)ccc1OS(C)(=O)=O ZINC000020895599 568648743 /nfs/dbraw/zinc/64/87/43/568648743.db2.gz PEXAJNUFEZLCGG-AWEZNQCLSA-N 0 0 401.466 1.425 50 0 HDAARN O=c1ccnc2sc(Nc3cnc(N4CCOCC4)c(Br)c3)nn21 ZINC000225580989 568653763 /nfs/dbraw/zinc/65/37/63/568653763.db2.gz GONWCFXRWGNPAS-UHFFFAOYSA-N 0 0 409.269 1.889 50 0 HDAARN C[C@@H]1CO[C@@H](CO)CN1C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000225608026 568656617 /nfs/dbraw/zinc/65/66/17/568656617.db2.gz YOPJPJJQLWEHLH-RBSFLKMASA-N 0 0 408.499 1.746 50 0 HDAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NC1CCCC1 ZINC000021022053 568658435 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/nfs/dbraw/zinc/17/82/66/569178266.db2.gz DHOIMDKUBWUTRL-UHFFFAOYSA-N 0 0 424.457 1.731 50 0 HDAARN CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2 ZINC000169795107 569181131 /nfs/dbraw/zinc/18/11/31/569181131.db2.gz CHCKYCJIOZMEMQ-HIFRSBDPSA-N 0 0 409.508 1.736 50 0 HDAARN CCOC(=O)c1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000006917289 569181281 /nfs/dbraw/zinc/18/12/81/569181281.db2.gz WPTYIHUJTGICKR-UHFFFAOYSA-N 0 0 406.464 1.483 50 0 HDAARN COCCCNC(=O)c1ccc(Cl)c(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 ZINC000006918151 569181376 /nfs/dbraw/zinc/18/13/76/569181376.db2.gz MTJVQNQKULHIMV-ZIAGYGMSSA-N 0 0 417.940 1.787 50 0 HDAARN COc1ccccc1CNC(=O)CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000006928285 569183853 /nfs/dbraw/zinc/18/38/53/569183853.db2.gz RVMFLZWSHDZGGQ-FUHWJXTLSA-N 0 0 409.486 1.899 50 0 biogenic HDAARN CCOc1cccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)c1 ZINC000065151928 569185911 /nfs/dbraw/zinc/18/59/11/569185911.db2.gz QQPQVIZRFUEBPY-UHFFFAOYSA-N 0 0 424.548 1.486 50 0 HDAARN Cc1cc(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)n1C ZINC000006944984 569187353 /nfs/dbraw/zinc/18/73/53/569187353.db2.gz RHJGONAQOLCQKF-LBPRGKRZSA-N 0 0 403.460 1.495 50 0 HDAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000006946649 569187465 /nfs/dbraw/zinc/18/74/65/569187465.db2.gz TYWREEKMPXLAGG-OAHLLOKOSA-N 0 0 402.472 1.794 50 0 HDAARN COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCC2)cc1OC ZINC000065152439 569187501 /nfs/dbraw/zinc/18/75/01/569187501.db2.gz MBJQBKPUHUXHLM-UHFFFAOYSA-N 0 0 408.480 1.864 50 0 HDAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000036476289 569189751 /nfs/dbraw/zinc/18/97/51/569189751.db2.gz NGDVWBJRWPDGKN-UHFFFAOYSA-N 0 0 404.452 1.243 50 0 HDAARN Cc1nc(-c2ccccn2)cc2nn(CC(=O)NCc3ccc(F)cc3F)c(=O)n21 ZINC000065196730 569194867 /nfs/dbraw/zinc/19/48/67/569194867.db2.gz DAIUMKXGWVQCRZ-UHFFFAOYSA-N 0 0 410.384 1.856 50 0 HDAARN NC(=O)CSc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000006989103 569196006 /nfs/dbraw/zinc/19/60/06/569196006.db2.gz IQYSLKLCHPGVGG-UHFFFAOYSA-N 0 0 405.457 1.047 50 0 HDAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)OCC ZINC000007002597 569198888 /nfs/dbraw/zinc/19/88/88/569198888.db2.gz QQPZLKGFTIKFIV-CQSZACIVSA-N 0 0 400.497 1.925 50 0 HDAARN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000007001938 569198892 /nfs/dbraw/zinc/19/88/92/569198892.db2.gz MFGVVQOYDURDCJ-OAHLLOKOSA-N 0 0 418.523 1.846 50 0 HDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1OC ZINC000007006160 569199278 /nfs/dbraw/zinc/19/92/78/569199278.db2.gz FAHKOJLDHLAMEX-UHFFFAOYSA-N 0 0 422.503 1.369 50 0 biogenic HDAARN COc1ccc(S(=O)(=O)N2CCC(c3cc4n(n3)CCCNC4=O)CC2)cc1 ZINC000065225881 569199628 /nfs/dbraw/zinc/19/96/28/569199628.db2.gz RQAFCELWTWOKGC-UHFFFAOYSA-N 0 0 404.492 1.594 50 0 HDAARN COc1ccc(NC(=O)Cn2cncc(C(=O)NC3CCCC3)c2=O)c(OC)c1 ZINC000065232438 569202044 /nfs/dbraw/zinc/20/20/44/569202044.db2.gz HYPCELGSCMBJBO-UHFFFAOYSA-N 0 0 400.435 1.572 50 0 HDAARN COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H]3CSC[C@H]3O)C2=O)c(OC)c1 ZINC000036584776 569202964 /nfs/dbraw/zinc/20/29/64/569202964.db2.gz MIPNVDZDVLNENM-XMBIIHFXSA-N 0 0 424.500 1.333 50 0 HDAARN C=C1C(N2CCCN(C(=O)CCOC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065239371 569203345 /nfs/dbraw/zinc/20/33/45/569203345.db2.gz AKAJAHXOQRLHTH-UHFFFAOYSA-N 0 0 409.483 1.869 50 0 HDAARN Cc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)n2ncnc2n1 ZINC000036619096 569210498 /nfs/dbraw/zinc/21/04/98/569210498.db2.gz BAXGIYSTKZFPQK-UHFFFAOYSA-N 0 0 406.450 1.367 50 0 HDAARN COC(=O)Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000007047746 569211290 /nfs/dbraw/zinc/21/12/90/569211290.db2.gz CLTYTZGUROZHGS-JTQLQIEISA-N 0 0 404.448 1.975 50 0 HDAARN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c[nH]cn3)CC2)c1 ZINC000013131575 569211351 /nfs/dbraw/zinc/21/13/51/569211351.db2.gz ZSJQCWZMVIVRQO-UHFFFAOYSA-N 0 0 406.464 1.626 50 0 HDAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1C[C@H]2C[C@@H](C1)[C@H]1CCCC(=O)N1C2 ZINC000524730499 569211998 /nfs/dbraw/zinc/21/19/98/569211998.db2.gz LBSLNRCPJIATKA-GLJHEFQWSA-N 0 0 420.579 1.572 50 0 biogenic HDAARN O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000524730498 569212009 /nfs/dbraw/zinc/21/20/09/569212009.db2.gz LBSLNRCPJIATKA-BSPRTOCGSA-N 0 0 420.579 1.572 50 0 biogenic HDAARN COc1cc([C@H](CC(=O)NCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730999 569212132 /nfs/dbraw/zinc/21/21/32/569212132.db2.gz GFIAXGXOFJWIPH-ZDUSSCGKSA-N 0 0 415.402 1.898 50 0 biogenic HDAARN C[C@H]1CN=C2C=C(N3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)N=CN21 ZINC000065265456 569212277 /nfs/dbraw/zinc/21/22/77/569212277.db2.gz KOXRSZTXBUKXJX-AWEZNQCLSA-N 0 0 407.927 1.773 50 0 HDAARN COC(=O)CCNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524731799 569212453 /nfs/dbraw/zinc/21/24/53/569212453.db2.gz KQTJEYHJGDHIOR-HXUWFJFHSA-N 0 0 407.426 1.871 50 0 biogenic HDAARN CSCC[C@@H](C(=O)NCC(=O)N1CCCC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524734223 569213331 /nfs/dbraw/zinc/21/33/31/569213331.db2.gz KRMNPDKARMCMIJ-HNNXBMFYSA-N 0 0 404.492 1.135 50 0 HDAARN O=C(Nc1ccc(OCCN2CCOCC2)cc1)[C@H](c1ccccc1)n1cnnn1 ZINC000524734890 569213795 /nfs/dbraw/zinc/21/37/95/569213795.db2.gz HPBXITAWFDXGQO-FQEVSTJZSA-N 0 0 408.462 1.612 50 0 HDAARN CCCNc1cc(N2CCC(CCC(=O)N3CCN(C(C)=O)CC3)CC2)ncn1 ZINC000065274096 569214963 /nfs/dbraw/zinc/21/49/63/569214963.db2.gz ASXUEVRBTJTEOF-UHFFFAOYSA-N 0 0 402.543 1.986 50 0 HDAARN C=C1C(N2CCCN(S(=O)(=O)CC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000065272018 569215530 /nfs/dbraw/zinc/21/55/30/569215530.db2.gz HEZZOXZNXPTIEO-UHFFFAOYSA-N 0 0 415.512 1.656 50 0 HDAARN O=S(=O)(c1cccc(F)c1)N1CCN(c2cnn3c(c2)nnc3C2CC2)CC1 ZINC000065282436 569216368 /nfs/dbraw/zinc/21/63/68/569216368.db2.gz ZNPSMJOHWHOOLK-UHFFFAOYSA-N 0 0 402.455 1.652 50 0 HDAARN COc1ccc(CNC(=O)CN2CCCN(Cc3cccc(F)c3)S2(=O)=O)cc1 ZINC000065304983 569220372 /nfs/dbraw/zinc/22/03/72/569220372.db2.gz DKUIXVLKKHMIPM-UHFFFAOYSA-N 0 0 421.494 1.903 50 0 HDAARN COCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)no1 ZINC000065319199 569221925 /nfs/dbraw/zinc/22/19/25/569221925.db2.gz LXRKRVXVPAQEJD-UHFFFAOYSA-N 0 0 408.480 1.533 50 0 HDAARN COc1ccc(N2C(=O)C[C@@H](Nc3cccc(S(=O)(=O)N(C)C)c3)C2=O)cc1 ZINC000007140948 569225593 /nfs/dbraw/zinc/22/55/93/569225593.db2.gz HJIQGVSXZOXKQB-QGZVFWFLSA-N 0 0 403.460 1.690 50 0 HDAARN COc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000007157098 569225954 /nfs/dbraw/zinc/22/59/54/569225954.db2.gz DNQRMSHUUJAWPO-ZDUSSCGKSA-N 0 0 405.451 1.515 50 0 aggregator HDAARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(C)=O)CC2=O)cc1 ZINC000036772462 569227764 /nfs/dbraw/zinc/22/77/64/569227764.db2.gz RMZWUIQYVZRLDX-CABCVRRESA-N 0 0 410.492 1.591 50 0 HDAARN Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCNC3=O)nnc2N2CCOCC2)cc1 ZINC000007190861 569228130 /nfs/dbraw/zinc/22/81/30/569228130.db2.gz SJKKFADBMPDUHB-CQSZACIVSA-N 0 0 416.507 1.445 50 0 HDAARN CCCn1c(N)c(C(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(=O)[nH]c1=O ZINC000036783876 569228240 /nfs/dbraw/zinc/22/82/40/569228240.db2.gz JUYKDICLZQGFJZ-CYBMUJFWSA-N 0 0 406.508 1.454 50 0 HDAARN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000007216640 569229239 /nfs/dbraw/zinc/22/92/39/569229239.db2.gz VSNATHWFQDGDAD-INIZCTEOSA-N 0 0 416.565 1.234 50 0 HDAARN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCc2ccccc21 ZINC000007219915 569229281 /nfs/dbraw/zinc/22/92/81/569229281.db2.gz HTNFXSKXBJCFAJ-UHFFFAOYSA-N 0 0 419.528 1.784 50 0 HDAARN O=C(NCc1nnc2ccccn21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000007241232 569229764 /nfs/dbraw/zinc/22/97/64/569229764.db2.gz NXXHRWLXQKNGST-ZDUSSCGKSA-N 0 0 405.505 1.508 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000007268452 569231082 /nfs/dbraw/zinc/23/10/82/569231082.db2.gz IVWQMAUJQWLWIO-KRWDZBQOSA-N 0 0 419.503 1.519 50 0 HDAARN CCCNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 ZINC000007372838 569234065 /nfs/dbraw/zinc/23/40/65/569234065.db2.gz YINITTMNRGNYIX-UHFFFAOYSA-N 0 0 414.553 1.974 50 0 HDAARN CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000065564552 569234220 /nfs/dbraw/zinc/23/42/20/569234220.db2.gz ASPWVVAOBAWLBD-ZDUSSCGKSA-N 0 0 405.567 1.316 50 0 HDAARN C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cccc(I)c2)C1=O ZINC000007397857 569236448 /nfs/dbraw/zinc/23/64/48/569236448.db2.gz OFIMMPMWXAGNCT-OAHLLOKOSA-N 0 0 413.215 1.950 50 0 HDAARN CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)OC ZINC000007402897 569236658 /nfs/dbraw/zinc/23/66/58/569236658.db2.gz KHGIHVYXUYLDIM-CXAGYDPISA-N 0 0 414.499 1.930 50 0 HDAARN CCc1cccc(OC[C@H](O)Cn2c(N[C@@H](C)CC)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425620 569238192 /nfs/dbraw/zinc/23/81/92/569238192.db2.gz AVDHPXIYDOYVEY-DZGCQCFKSA-N 0 0 415.494 1.636 50 0 HDAARN CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000007425921 569238294 /nfs/dbraw/zinc/23/82/94/569238294.db2.gz ZCSVRIGQVGLMEJ-ZDUSSCGKSA-N 0 0 421.885 1.349 50 0 HDAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007473221 569240241 /nfs/dbraw/zinc/24/02/41/569240241.db2.gz JFNLVJYZITXKJD-OAHLLOKOSA-N 0 0 421.519 1.437 50 0 HDAARN O=S(=O)(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Br)cc1 ZINC000170591847 569240725 /nfs/dbraw/zinc/24/07/25/569240725.db2.gz GKJGATVPVXEFOQ-GXTWGEPZSA-N 0 0 424.338 1.464 50 0 HDAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000170594750 569241566 /nfs/dbraw/zinc/24/15/66/569241566.db2.gz RXRCIDUKUHCJQA-HNNXBMFYSA-N 0 0 420.466 1.005 50 0 HDAARN CN(Cc1cc(-c2cnn(C)c2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000170597438 569242073 /nfs/dbraw/zinc/24/20/73/569242073.db2.gz UVONCMAFSSDYJQ-UHFFFAOYSA-N 0 0 407.434 1.192 50 0 HDAARN COc1ccccc1NC(=O)Cn1ccn(S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000007494871 569242151 /nfs/dbraw/zinc/24/21/51/569242151.db2.gz RXQBEUDWSBYEKI-UHFFFAOYSA-N 0 0 401.444 1.843 50 0 HDAARN Cc1cc(C)n(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2N)n1 ZINC000007530271 569246071 /nfs/dbraw/zinc/24/60/71/569246071.db2.gz LZIRRFQNMAHZSP-UHFFFAOYSA-N 0 0 401.540 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Cn1c(CCNC(=O)/C=C/c2cccc(F)c2)nnc1SCCN1CCOCC1 ZINC000019739528 558260561 /nfs/dbraw/zinc/26/05/61/558260561.db2.gz FSANINVLLQMOCA-AATRIKPKSA-N 0 0 419.526 1.751 50 0 HDAARN COc1cc(OC)cc(-c2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)o2)c1 ZINC000004330143 558261361 /nfs/dbraw/zinc/26/13/61/558261361.db2.gz ZLBPUNLNTSGTTC-UHFFFAOYSA-N 0 0 408.370 1.989 50 0 HDAARN CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccc(CO)o1)CC2 ZINC000019745421 558266089 /nfs/dbraw/zinc/26/60/89/558266089.db2.gz KTSBJAQGKFVJOJ-HXUWFJFHSA-N 0 0 424.505 1.944 50 0 HDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)cc1OC ZINC000011665285 558268740 /nfs/dbraw/zinc/26/87/40/558268740.db2.gz APYMMQLWUJJJNQ-GOSISDBHSA-N 0 0 412.490 1.448 50 0 HDAARN COCC(=O)N1CCC(Oc2ccc(C(=O)NCCOc3cccnc3)cc2)CC1 ZINC000011821221 558284570 /nfs/dbraw/zinc/28/45/70/558284570.db2.gz JDLVGKPEMMUKNN-UHFFFAOYSA-N 0 0 413.474 1.907 50 0 HDAARN CN1CCN(C(=O)[C@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)CC1 ZINC000019809925 558286703 /nfs/dbraw/zinc/28/67/03/558286703.db2.gz JOLAFWWSSHMBRR-KRWDZBQOSA-N 0 0 418.291 1.809 50 0 HDAARN CCOC(=O)[C@@H]1[C@@H](c2cc(OC)ccc2OC)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011859272 558289761 /nfs/dbraw/zinc/28/97/61/558289761.db2.gz IPARRUDXNQNTGD-ZOWXZIJZSA-N 0 0 408.398 1.653 50 0 HDAARN Cc1cccc(C(=O)OCCN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 ZINC000019869057 558299540 /nfs/dbraw/zinc/29/95/40/558299540.db2.gz NTZOXYRRZLERRF-UHFFFAOYSA-N 0 0 413.499 1.919 50 0 HDAARN CN(Cc1[nH]nc2c1CCCC2)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000011936684 558300894 /nfs/dbraw/zinc/30/08/94/558300894.db2.gz ZZOQMFWALMAQIM-LJQANCHMSA-N 0 0 414.550 1.992 50 0 HDAARN CCOC(=O)N1CCN(C(=O)c2cccc(-n3cc(NC(=O)COC)cn3)c2)CC1 ZINC000011964343 558304012 /nfs/dbraw/zinc/30/40/12/558304012.db2.gz ZWYTZFKPNWWYBZ-UHFFFAOYSA-N 0 0 415.450 1.372 50 0 HDAARN COCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C(=O)OC)C(C)C)cc2)CC1 ZINC000011998308 558307505 /nfs/dbraw/zinc/30/75/05/558307505.db2.gz IDWBYJJWTVJMDE-IBGZPJMESA-N 0 0 406.479 1.630 50 0 HDAARN O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012022261 558309743 /nfs/dbraw/zinc/30/97/43/558309743.db2.gz QLZRNAZDYCLMRJ-INIZCTEOSA-N 0 0 405.470 1.572 50 0 HDAARN COc1ccc([C@]2(CC(=O)N3CC[C@@H](O)C3)CC(=O)N(CCC(C)C)C2=O)cc1 ZINC000012041416 558313024 /nfs/dbraw/zinc/31/30/24/558313024.db2.gz HOHZERPLEXDJBI-VGSWGCGISA-N 0 0 402.491 1.721 50 0 HDAARN CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000012076837 558320214 /nfs/dbraw/zinc/32/02/14/558320214.db2.gz KHSRBLLKFSEGQQ-MRXNPFEDSA-N 0 0 413.478 1.432 50 0 HDAARN O=C(NCc1ccccc1)c1c(=O)n(Cc2ccccc2)[n-][n+]1CCN1CCOCC1 ZINC000020052513 558328633 /nfs/dbraw/zinc/32/86/33/558328633.db2.gz WDXJABXXRWBSRT-UHFFFAOYSA-O 0 0 422.509 1.187 50 0 HDAARN COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)N2CCOCC2)cc1Cl ZINC000020068894 558330608 /nfs/dbraw/zinc/33/06/08/558330608.db2.gz LJRLDFKNLKBPEJ-CABCVRRESA-N 0 0 409.899 1.866 50 0 HDAARN COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2)n(C)c1=O ZINC000012231674 558358064 /nfs/dbraw/zinc/35/80/64/558358064.db2.gz RYKVXOBNAUOPPW-UHFFFAOYSA-N 0 0 408.462 1.394 50 0 HDAARN CC[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)n1c(=O)[nH]c2ccccc2c1=O ZINC000020412116 558360961 /nfs/dbraw/zinc/36/09/61/558360961.db2.gz IZPXPVWEMSOMDW-FQEVSTJZSA-N 0 0 406.486 1.985 50 0 HDAARN O=C(NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2)[C@H]1CCCO1 ZINC000020452250 558366606 /nfs/dbraw/zinc/36/66/06/558366606.db2.gz IRNODQMSIXBZCI-QGZVFWFLSA-N 0 0 405.449 1.452 50 0 HDAARN O[C@@H](COc1cccc(CN2CCN(c3ccccn3)CC2)c1)CN1CCOCC1 ZINC000020453446 558367546 /nfs/dbraw/zinc/36/75/46/558367546.db2.gz QELPPQJTHANHPX-OAQYLSRUSA-N 0 0 412.534 1.476 50 0 HDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000020500867 558380719 /nfs/dbraw/zinc/38/07/19/558380719.db2.gz QVRWIVTWACYOPG-UHFFFAOYSA-N 0 0 421.494 1.804 50 0 HDAARN COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000012384285 558393754 /nfs/dbraw/zinc/39/37/54/558393754.db2.gz BQAMOHYYSCVYEY-NLDJYOPPSA-N 0 0 410.419 1.098 50 0 HDAARN C[C@]1(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CCS(=O)(=O)C1 ZINC000012407945 558398915 /nfs/dbraw/zinc/39/89/15/558398915.db2.gz IQKGNTVGIOKVGX-FQEVSTJZSA-N 0 0 418.519 1.319 50 0 biogenic HDAARN CCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2-n2cnnn2)CC1 ZINC000020729650 558405858 /nfs/dbraw/zinc/40/58/58/558405858.db2.gz PRLORTKPLFTQPY-UHFFFAOYSA-N 0 0 423.452 1.831 50 0 HDAARN O=C(NCCNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000020744581 558409238 /nfs/dbraw/zinc/40/92/38/558409238.db2.gz BXFWZSCJLQIYOF-FXAWDEMLSA-N 0 0 423.469 1.108 50 0 HDAARN O=C(CCN1CCOCC1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000020785797 558413882 /nfs/dbraw/zinc/41/38/82/558413882.db2.gz JOVLXEUKERSFSO-IBGZPJMESA-N 0 0 409.552 1.067 50 0 HDAARN O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)[C@H]1COc2ccccc2O1 ZINC000010691314 558417832 /nfs/dbraw/zinc/41/78/32/558417832.db2.gz HHNMRSZDBVIARN-OAHLLOKOSA-N 0 0 401.400 1.822 50 0 HDAARN COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000020888294 558419979 /nfs/dbraw/zinc/41/99/79/558419979.db2.gz GFMMCUQDQSICKG-UHFFFAOYSA-N 0 0 416.503 1.923 50 0 HDAARN O=C(NCc1ccccc1)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 ZINC000004337112 558421282 /nfs/dbraw/zinc/42/12/82/558421282.db2.gz VXEREGUYMNMQJW-QGZVFWFLSA-N 0 0 401.850 1.571 50 0 HDAARN CC1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000020910439 558421923 /nfs/dbraw/zinc/42/19/23/558421923.db2.gz DVKZUYJXWAFSGD-MQBCKMQZSA-N 0 0 406.504 1.781 50 0 HDAARN Cc1nc(C(=O)NCc2ccc(CS(N)(=O)=O)cc2)nn1-c1ccc(F)cc1 ZINC000010707157 558423179 /nfs/dbraw/zinc/42/31/79/558423179.db2.gz BQZSCPCJZFCINF-UHFFFAOYSA-N 0 0 403.439 1.433 50 0 HDAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Oc3ccc(F)cc3)c2)CC1 ZINC000020935658 558424336 /nfs/dbraw/zinc/42/43/36/558424336.db2.gz UWNJWFBDGCUVBV-UHFFFAOYSA-N 0 0 406.435 1.898 50 0 HDAARN Cc1cc(C(=O)COC(=O)C2=NNC(=O)CC2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000004348727 558428332 /nfs/dbraw/zinc/42/83/32/558428332.db2.gz BUUBJONUCNDHSN-UHFFFAOYSA-N 0 0 411.414 1.874 50 0 HDAARN CN(Cc1cccs1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1F ZINC000021242687 558434334 /nfs/dbraw/zinc/43/43/34/558434334.db2.gz HGJTUAICHWVQJW-UHFFFAOYSA-N 0 0 400.453 1.367 50 0 HDAARN COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cscn2)c(F)c1 ZINC000012596593 558437948 /nfs/dbraw/zinc/43/79/48/558437948.db2.gz UCJWZWTVIAGKPP-QGZVFWFLSA-N 0 0 406.483 1.340 50 0 HDAARN CCOC(=O)C1=C(CSc2nnc(-c3ccc(OC)cc3OC)o2)NC(=O)NC1 ZINC000021572893 558441644 /nfs/dbraw/zinc/44/16/44/558441644.db2.gz MVKHGIWNLAVWGO-UHFFFAOYSA-N 0 0 420.447 1.976 50 0 HDAARN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000021578106 558442017 /nfs/dbraw/zinc/44/20/17/558442017.db2.gz XMKLMNOEQNEXQX-GASCZTMLSA-N 0 0 415.943 1.282 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1C ZINC000012632023 558442347 /nfs/dbraw/zinc/44/23/47/558442347.db2.gz MTQCBYOIMVFRDR-UHFFFAOYSA-N 0 0 410.525 1.424 50 0 HDAARN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@H]2CCS(=O)(=O)C2)c1C ZINC000021598210 558442855 /nfs/dbraw/zinc/44/28/55/558442855.db2.gz QSMFBLJSFAJHEX-DLBZAZTESA-N 0 0 408.520 1.684 50 0 HDAARN Cn1ccnc1[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Cl)cc1 ZINC000021601010 558443083 /nfs/dbraw/zinc/44/30/83/558443083.db2.gz YURMJKGXRGRGAK-OXJNMPFZSA-N 0 0 415.881 2.000 50 0 HDAARN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cn2cnc3sccc3c2=O)cc1 ZINC000021640586 558444321 /nfs/dbraw/zinc/44/43/21/558444321.db2.gz IMOWZODJIGBAJT-GOSISDBHSA-N 0 0 412.515 1.956 50 0 HDAARN COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4O)CC3)C2=O)cc1OC ZINC000021816880 558450811 /nfs/dbraw/zinc/45/08/11/558450811.db2.gz LENOHIVKRPZBBX-KRWDZBQOSA-N 0 0 411.458 1.864 50 0 HDAARN O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000021847632 558452162 /nfs/dbraw/zinc/45/21/62/558452162.db2.gz SOBUHMLZTCFGRG-UHFFFAOYSA-N 0 0 409.446 1.341 50 0 HDAARN CCN1CCN(c2nc3ncn(CC(=O)Nc4ccccc4F)c(=O)c3s2)CC1 ZINC000021886395 558454085 /nfs/dbraw/zinc/45/40/85/558454085.db2.gz NKBKGAQGBOLSKH-UHFFFAOYSA-N 0 0 416.482 1.773 50 0 HDAARN CCN1CCN(c2nc3ncn(CC(=O)NCc4ccccc4)c(=O)c3s2)CC1 ZINC000021886466 558454225 /nfs/dbraw/zinc/45/42/25/558454225.db2.gz JTVCPRCVKVEDER-UHFFFAOYSA-N 0 0 412.519 1.311 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc3C2)c1 ZINC000021897687 558454527 /nfs/dbraw/zinc/45/45/27/558454527.db2.gz USMADOWLIGDGAJ-UHFFFAOYSA-N 0 0 403.504 1.464 50 0 HDAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 ZINC000021931300 558455928 /nfs/dbraw/zinc/45/59/28/558455928.db2.gz BDRLKVZOBSLVKI-UHFFFAOYSA-N 0 0 420.365 1.906 50 0 HDAARN CSCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000012725642 558457181 /nfs/dbraw/zinc/45/71/81/558457181.db2.gz PNLFYMOVNRURNU-UHFFFAOYSA-N 0 0 401.554 1.429 50 0 HDAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)C1 ZINC000022026210 558458828 /nfs/dbraw/zinc/45/88/28/558458828.db2.gz WOIXNSGFJRIYOL-LHSJRXKWSA-N 0 0 415.446 1.018 50 0 HDAARN C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000012761796 558461127 /nfs/dbraw/zinc/46/11/27/558461127.db2.gz LYCPXLMKGFUDNY-NSHDSACASA-N 0 0 406.335 1.967 50 0 HDAARN CC(=O)N1CCc2cc(NC(=O)COC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc21 ZINC000022081148 558462941 /nfs/dbraw/zinc/46/29/41/558462941.db2.gz GARLHQMVISMULW-UHFFFAOYSA-N 0 0 420.425 1.557 50 0 HDAARN C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc21)C(=O)NC(=O)NC1CC1 ZINC000022188694 558465690 /nfs/dbraw/zinc/46/56/90/558465690.db2.gz SLLMKGUVKBGSCI-CYBMUJFWSA-N 0 0 415.519 1.931 50 0 HDAARN COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012795052 558467970 /nfs/dbraw/zinc/46/79/70/558467970.db2.gz BPGDXUMEKYYCRT-UHFFFAOYSA-N 0 0 418.471 1.771 50 0 HDAARN C[C@@H](C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000012796893 558469503 /nfs/dbraw/zinc/46/95/03/558469503.db2.gz GLHGMXDZHAXVJS-RRQGHBQHSA-N 0 0 420.487 1.320 50 0 HDAARN CN(C)S(=O)(=O)c1cccc(COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000012796872 558469517 /nfs/dbraw/zinc/46/95/17/558469517.db2.gz KAPSMPYFLLGLRP-HNNXBMFYSA-N 0 0 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CN(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCCC3)ccc2=O)cc1 ZINC000049410441 558848875 /nfs/dbraw/zinc/84/88/75/558848875.db2.gz YJKRPFIHPBOHHT-UHFFFAOYSA-N 0 0 418.519 1.728 50 0 HDAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)c(C)c1 ZINC000049410566 558849015 /nfs/dbraw/zinc/84/90/15/558849015.db2.gz WUPODZWKRUIXRW-UHFFFAOYSA-N 0 0 405.476 1.125 50 0 HDAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCOCC3)ccc2=O)cc1C ZINC000049410552 558849024 /nfs/dbraw/zinc/84/90/24/558849024.db2.gz ZJCMENMEZQOZLQ-UHFFFAOYSA-N 0 0 405.476 1.125 50 0 HDAARN CCc1cccc(C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=O ZINC000049410560 558849057 /nfs/dbraw/zinc/84/90/57/558849057.db2.gz FXOBYWGMRULKQJ-UHFFFAOYSA-N 0 0 419.503 1.379 50 0 HDAARN O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)N1CCN(Cc2cccnc2)CC1 ZINC000019221941 558852139 /nfs/dbraw/zinc/85/21/39/558852139.db2.gz ZSZGYVHZALFAGN-IBGZPJMESA-N 0 0 413.547 1.178 50 0 HDAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000033029023 558852238 /nfs/dbraw/zinc/85/22/38/558852238.db2.gz COYWFFXAXCZLRF-OALUTQOASA-N 0 0 408.458 1.648 50 0 HDAARN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1 ZINC000060348861 558859144 /nfs/dbraw/zinc/85/91/44/558859144.db2.gz YIVLMURQGPKURI-CYBMUJFWSA-N 0 0 409.913 1.660 50 0 HDAARN COc1ccc(CNC(=O)c2coc(CN3CCN(c4ncccn4)CC3)n2)cc1 ZINC000055060630 558871231 /nfs/dbraw/zinc/87/12/31/558871231.db2.gz TVKAHIMYGBVILU-UHFFFAOYSA-N 0 0 408.462 1.725 50 0 HDAARN CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl ZINC000055119283 558873276 /nfs/dbraw/zinc/87/32/76/558873276.db2.gz AGHHMEVUQOERCM-SFHVURJKSA-N 0 0 421.904 1.915 50 0 HDAARN O=C(NC[C@H]1COCCO1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055153776 558874505 /nfs/dbraw/zinc/87/45/05/558874505.db2.gz FQCGVJVAKQVQTM-HNNXBMFYSA-N 0 0 404.442 1.281 50 0 HDAARN COc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000055416886 558881372 /nfs/dbraw/zinc/88/13/72/558881372.db2.gz OLHYXDCAOPBMJY-VQHVLOKHSA-N 0 0 407.536 1.657 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000004671963 558886035 /nfs/dbraw/zinc/88/60/35/558886035.db2.gz DTDXJOZZEMSYOI-UHFFFAOYSA-N 0 0 403.888 1.407 50 0 HDAARN CCCCOc1ccc(S(=O)(=O)NCCOc2ccc3nnc(C)n3n2)cc1 ZINC000013846113 558886254 /nfs/dbraw/zinc/88/62/54/558886254.db2.gz GOQSCNOZZCUGLY-UHFFFAOYSA-N 0 0 405.480 1.969 50 0 HDAARN O=C(NCCCn1ccnc1)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000004625941 558890033 /nfs/dbraw/zinc/89/00/33/558890033.db2.gz JVOZLGNNXIQZAI-UHFFFAOYSA-N 0 0 409.855 1.714 50 0 HDAARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000057985460 558892509 /nfs/dbraw/zinc/89/25/09/558892509.db2.gz AGZWWUZHWROSEA-UHFFFAOYSA-N 0 0 400.503 1.743 50 0 HDAARN CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NC2CCCC2)c1=O ZINC000033140991 558892770 /nfs/dbraw/zinc/89/27/70/558892770.db2.gz IAKZXXLNRGWJBO-UHFFFAOYSA-N 0 0 405.524 1.689 50 0 HDAARN COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000057994314 558893373 /nfs/dbraw/zinc/89/33/73/558893373.db2.gz HIBPXVSHQRQFHK-ZIAGYGMSSA-N 0 0 416.496 1.033 50 0 HDAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)C1 ZINC000058007507 558894592 /nfs/dbraw/zinc/89/45/92/558894592.db2.gz QBPYXTIGNOOCIG-SJLPKXTDSA-N 0 0 401.467 1.576 50 0 HDAARN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000058015376 558895426 /nfs/dbraw/zinc/89/54/26/558895426.db2.gz ZVCQCIDJFBHREP-PKOBYXMFSA-N 0 0 414.485 1.669 50 0 HDAARN CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)C1 ZINC000058023475 558896078 /nfs/dbraw/zinc/89/60/78/558896078.db2.gz NVLAMVFAGRMTOJ-IAGOWNOFSA-N 0 0 404.446 1.642 50 0 HDAARN O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1ccc(-c2nnco2)cc1 ZINC000058023207 558896092 /nfs/dbraw/zinc/89/60/92/558896092.db2.gz UZOOJBLSKKYSGG-UHFFFAOYSA-N 0 0 408.466 1.860 50 0 HDAARN CNC(=O)NC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1N ZINC000071415897 558897662 /nfs/dbraw/zinc/89/76/62/558897662.db2.gz BDKHZKRFLUGPCW-UHFFFAOYSA-N 0 0 403.489 1.695 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(OCCN2CCC[C@H]2C(=O)NCC(F)(F)F)cc1 ZINC000058134616 558900811 /nfs/dbraw/zinc/90/08/11/558900811.db2.gz VTVDEDMHAWJVEA-HNNXBMFYSA-N 0 0 423.457 1.459 50 0 HDAARN CC[C@H](c1nnc(SCc2nnnn2C2CC2)n1CCN1CCOCC1)N(C)C ZINC000058196625 558910976 /nfs/dbraw/zinc/91/09/76/558910976.db2.gz FGMHMRBBWIISMC-OAHLLOKOSA-N 0 0 421.575 1.237 50 0 HDAARN COCc1c2ccccc2oc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000058217435 558912665 /nfs/dbraw/zinc/91/26/65/558912665.db2.gz LZBWHRXXKBFPFN-SJORKVTESA-N 0 0 406.504 1.961 50 0 HDAARN CCO[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 ZINC000058218042 558912758 /nfs/dbraw/zinc/91/27/58/558912758.db2.gz VFMMPYNITXCRSF-OAHLLOKOSA-N 0 0 422.551 1.784 50 0 HDAARN Cc1ccnc(NC(=O)CN(C)C(=O)CNC(=O)c2cccc(Br)c2)c1 ZINC000058225468 558913431 /nfs/dbraw/zinc/91/34/31/558913431.db2.gz MZHKXKMQFHUIQW-UHFFFAOYSA-N 0 0 419.279 1.979 50 0 HDAARN Cn1cc(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cn1 ZINC000058228013 558913958 /nfs/dbraw/zinc/91/39/58/558913958.db2.gz QPXLFXTZWQTLFG-UHFFFAOYSA-N 0 0 402.476 1.854 50 0 HDAARN COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000033255793 558923459 /nfs/dbraw/zinc/92/34/59/558923459.db2.gz WJBFTEACSSQWNX-HOTGVXAUSA-N 0 0 422.503 1.391 50 0 HDAARN Cn1c(=O)c(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)nc2cccnc21 ZINC000033259014 558926110 /nfs/dbraw/zinc/92/61/10/558926110.db2.gz DCPQLGDLIZXPIE-UHFFFAOYSA-N 0 0 421.457 1.590 50 0 HDAARN CCCS(=O)(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 ZINC000058820538 558930530 /nfs/dbraw/zinc/93/05/30/558930530.db2.gz XVEINXVKRCZJHK-KRWDZBQOSA-N 0 0 421.563 1.922 50 0 HDAARN O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C1 ZINC000033262187 558930576 /nfs/dbraw/zinc/93/05/76/558930576.db2.gz GCCSLPUNTUGTCV-CYBMUJFWSA-N 0 0 404.448 1.980 50 0 HDAARN CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nnn3CCOC)C1 ZINC000033262845 558931604 /nfs/dbraw/zinc/93/16/04/558931604.db2.gz YYGMOKYWMPOGGT-HNNXBMFYSA-N 0 0 423.539 1.395 50 0 HDAARN CCOC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3F)C2=O)CC1 ZINC000059013195 558931681 /nfs/dbraw/zinc/93/16/81/558931681.db2.gz YOOYPPMCCKQORW-HXUWFJFHSA-N 0 0 423.416 1.534 50 0 HDAARN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccccc2)cc1 ZINC000019589737 558940528 /nfs/dbraw/zinc/94/05/28/558940528.db2.gz YOLWXCQLTGLSHO-UHFFFAOYSA-N 0 0 403.504 1.665 50 0 HDAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CC2=O)c(OC)c1 ZINC000019661453 558952544 /nfs/dbraw/zinc/95/25/44/558952544.db2.gz WCFIRFODBVSJBO-GFCCVEGCSA-N 0 0 408.414 1.932 50 0 HDAARN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCCN1CCCC1=O ZINC000033061564 558955198 /nfs/dbraw/zinc/95/51/98/558955198.db2.gz JDPHIMHFYLWAHX-UHFFFAOYSA-N 0 0 401.492 1.852 50 0 HDAARN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCCN1CCOCC1 ZINC000033061551 558955305 /nfs/dbraw/zinc/95/53/05/558955305.db2.gz AHCOAZGMNXMBKS-UHFFFAOYSA-N 0 0 403.508 1.562 50 0 HDAARN O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000021871422 558959914 /nfs/dbraw/zinc/95/99/14/558959914.db2.gz BBFPKYQBLZFQLQ-UHFFFAOYSA-N 0 0 420.517 1.664 50 0 HDAARN COc1ccc(OC)c(CNC(=O)Cn2cnc3c(nc4n3CCCCC4)c2=O)c1 ZINC000021871361 558959928 /nfs/dbraw/zinc/95/99/28/558959928.db2.gz PZUYZOLGQOSDHM-UHFFFAOYSA-N 0 0 411.462 1.653 50 0 HDAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCC2)N(C)C3=O)o1 ZINC000021874572 558961356 /nfs/dbraw/zinc/96/13/56/558961356.db2.gz AAMTUCVOEDQHSX-NRFANRHFSA-N 0 0 413.478 1.618 50 0 HDAARN CCn1c(SCCC(=O)NCc2ccc(C)cc2)nc2c1n(C)c(=O)n(C)c2=O ZINC000064762116 558965287 /nfs/dbraw/zinc/96/52/87/558965287.db2.gz ZQAHFPBUINDBQA-UHFFFAOYSA-N 0 0 415.519 1.561 50 0 HDAARN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2)CC1 ZINC000065004929 558969685 /nfs/dbraw/zinc/96/96/85/558969685.db2.gz MCJORZWRAHXEDT-OAHLLOKOSA-N 0 0 424.567 1.577 50 0 HDAARN CN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000065363804 558975002 /nfs/dbraw/zinc/97/50/02/558975002.db2.gz TVMXCHVDZVTBSC-UHFFFAOYSA-N 0 0 415.515 1.845 50 0 HDAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000065364654 558975771 /nfs/dbraw/zinc/97/57/71/558975771.db2.gz IGIMZYVALQGWRS-CQSZACIVSA-N 0 0 415.537 1.081 50 0 HDAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000072434116 558979703 /nfs/dbraw/zinc/97/97/03/558979703.db2.gz BFMFIUFFWXDZBD-HNNXBMFYSA-N 0 0 409.508 1.159 50 0 HDAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1N1CCCC1=O ZINC000072436991 558980294 /nfs/dbraw/zinc/98/02/94/558980294.db2.gz HXRVZMBSOBHVLZ-HNNXBMFYSA-N 0 0 408.524 1.579 50 0 HDAARN Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)ncn2)c1C ZINC000072436889 558980316 /nfs/dbraw/zinc/98/03/16/558980316.db2.gz GLJBRIOLBAHCMA-UHFFFAOYSA-N 0 0 416.482 1.929 50 0 HDAARN CCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000096602295 558981422 /nfs/dbraw/zinc/98/14/22/558981422.db2.gz YITVYKPZZXUJEQ-UHFFFAOYSA-N 0 0 408.502 1.762 50 0 HDAARN Cc1ncn(-c2cc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ncn2)c1C ZINC000072441478 558981664 /nfs/dbraw/zinc/98/16/64/558981664.db2.gz WYIZFAWAOZMELW-UHFFFAOYSA-N 0 0 406.446 1.970 50 0 HDAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)nc1)C[NH+]1CCN(c2ncccn2)CC1 ZINC000072405425 558983835 /nfs/dbraw/zinc/98/38/35/558983835.db2.gz SWIYGWSQUYGOFQ-ZDUSSCGKSA-N 0 0 404.858 1.377 50 0 HDAARN O=C(Nc1nnc(C2CC2)s1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000095999104 558985184 /nfs/dbraw/zinc/98/51/84/558985184.db2.gz FCEPMHPZYGOWAG-LBPRGKRZSA-N 0 0 401.514 1.074 50 0 HDAARN O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000022056421 558986107 /nfs/dbraw/zinc/98/61/07/558986107.db2.gz QTKJDVXGUMCJMR-PMACEKPBSA-N 0 0 424.563 1.038 50 0 HDAARN CN(C)S(=O)(=O)N1CCC(C(=O)N(C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000067604764 558988575 /nfs/dbraw/zinc/98/85/75/558988575.db2.gz GGMNOWAPIADXNH-UHFFFAOYSA-N 0 0 407.496 1.213 50 0 HDAARN Cc1nn(CC(=O)N2CCOCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267287 558989705 /nfs/dbraw/zinc/98/97/05/558989705.db2.gz WXKABULVXOEHME-UHFFFAOYSA-N 0 0 418.457 1.540 50 0 HDAARN Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 ZINC000067629961 558990263 /nfs/dbraw/zinc/99/02/63/558990263.db2.gz MZJZCQQVFMIFOK-UHFFFAOYSA-N 0 0 420.445 1.760 50 0 HDAARN COc1cccc(CN2C[C@H](C(=O)N3CCN(c4ncccn4)CC3)CCC2=O)c1 ZINC000067804141 558993167 /nfs/dbraw/zinc/99/31/67/558993167.db2.gz YSXVPEQXCSSYNN-GOSISDBHSA-N 0 0 409.490 1.573 50 0 HDAARN CC(C)NC(=O)CN1c2ccccc2NC2(CCN(C(=O)c3cn[nH]c3)CC2)C1=O ZINC000067935393 558994909 /nfs/dbraw/zinc/99/49/09/558994909.db2.gz LDNUGOYRSWIBIV-UHFFFAOYSA-N 0 0 410.478 1.368 50 0 HDAARN O=C(N[C@H]1CCNC1=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067947945 558994950 /nfs/dbraw/zinc/99/49/50/558994950.db2.gz LPPZEDQCYJENHW-IBGZPJMESA-N 0 0 405.502 1.853 50 0 HDAARN O=C(c1ccco1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000097111208 558995449 /nfs/dbraw/zinc/99/54/49/558995449.db2.gz PMRSMVSSSIUISW-GOSISDBHSA-N 0 0 407.430 1.741 50 0 HDAARN COc1ccc(CCNC(=O)[C@H]2CCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000097134719 558996446 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CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC)nn2)ccc1C ZINC000225591462 568655289 /nfs/dbraw/zinc/65/52/89/568655289.db2.gz ZYPAMQVCYAQKNK-UHFFFAOYSA-N 0 0 406.464 1.854 50 0 HDAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)NCCc2ccccc2)c(C)n1C ZINC000020989863 568655618 /nfs/dbraw/zinc/65/56/18/568655618.db2.gz WMUPQCXKWHXFPD-UHFFFAOYSA-N 0 0 405.520 1.635 50 0 HDAARN C[C@@H]1CO[C@H](CO)CN1C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000225608055 568656623 /nfs/dbraw/zinc/65/66/23/568656623.db2.gz YOPJPJJQLWEHLH-KFWWJZLASA-N 0 0 408.499 1.746 50 0 HDAARN O=C(CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O)NCCc1ccccc1 ZINC000020996609 568657145 /nfs/dbraw/zinc/65/71/45/568657145.db2.gz ZNSIDRHNPYEPMH-UHFFFAOYSA-N 0 0 405.495 1.937 50 0 HDAARN Cc1nn(CCC(=O)NCCc2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1 ZINC000021029864 568659196 /nfs/dbraw/zinc/65/91/96/568659196.db2.gz XWAOCSQLDXEMLN-UHFFFAOYSA-N 0 0 420.535 1.270 50 0 HDAARN CNc1ccc(C(=O)OCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cn1 ZINC000225664585 568661655 /nfs/dbraw/zinc/66/16/55/568661655.db2.gz HRYPGEGOMMZQFX-UHFFFAOYSA-N 0 0 401.375 1.492 50 0 HDAARN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCOC(C)(C)C1 ZINC000095955479 568669359 /nfs/dbraw/zinc/66/93/59/568669359.db2.gz RNKYBSAUUZEJBP-UHFFFAOYSA-N 0 0 420.535 1.707 50 0 HDAARN COc1ccccc1CNS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000021154315 568673017 /nfs/dbraw/zinc/67/30/17/568673017.db2.gz NWVJQIHJPPNUQL-UHFFFAOYSA-N 0 0 421.519 1.601 50 0 HDAARN CCS(=O)(=O)NCCNC(=O)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095982573 568675546 /nfs/dbraw/zinc/67/55/46/568675546.db2.gz MHZKTFHWQCZBKX-AWEZNQCLSA-N 0 0 405.561 1.715 50 0 HDAARN C[C@@H]1CN(c2ccc(NC(=O)N3CCC(S(N)(=O)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000095983792 568675855 /nfs/dbraw/zinc/67/58/55/568675855.db2.gz PWJRWUQETSCWGU-CHWSQXEVSA-N 0 0 414.503 1.724 50 0 HDAARN COCCN(CCOC)c1nc2c(c(N(CCOC)CCOC)n1)SCC2 ZINC000225815486 568677006 /nfs/dbraw/zinc/67/70/06/568677006.db2.gz LUNJCEBPRMORFJ-UHFFFAOYSA-N 0 0 400.545 1.323 50 0 HDAARN Nc1nccc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C2)n1 ZINC000225829748 568678657 /nfs/dbraw/zinc/67/86/57/568678657.db2.gz QEALVXKMJIQNQQ-AWEZNQCLSA-N 0 0 401.492 1.902 50 0 HDAARN NC(=O)c1ccc(C(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)nc1 ZINC000095998387 568679630 /nfs/dbraw/zinc/67/96/30/568679630.db2.gz NJUWXBBPDSGFSO-IBGZPJMESA-N 0 0 407.474 1.134 50 0 HDAARN COc1cccc(C(=O)N2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 ZINC000095998287 568679642 /nfs/dbraw/zinc/67/96/42/568679642.db2.gz NPPYHPVAOXMKOA-CQSZACIVSA-N 0 0 400.401 1.401 50 0 HDAARN O=C(CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1)NCc1ccccn1 ZINC000095999722 568680780 /nfs/dbraw/zinc/68/07/80/568680780.db2.gz JCJHUNWMNIJQFW-OAQYLSRUSA-N 0 0 407.518 1.511 50 0 HDAARN CC(C)(O)c1cn(C2CN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)nn1 ZINC000096000496 568681175 /nfs/dbraw/zinc/68/11/75/568681175.db2.gz FUIZTCJITKPVCT-UHFFFAOYSA-N 0 0 406.386 1.650 50 0 HDAARN COc1ccc2cc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3=O)[nH]c2c1 ZINC000096004682 568682387 /nfs/dbraw/zinc/68/23/87/568682387.db2.gz UHPRHTPJUZDENT-QGZVFWFLSA-N 0 0 400.479 1.230 50 0 HDAARN CC(C)Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC000096005475 568682418 /nfs/dbraw/zinc/68/24/18/568682418.db2.gz OYFYPMBYJVTRCH-KRWDZBQOSA-N 0 0 409.556 1.802 50 0 HDAARN Cc1nnc(CN2CCN(C(=O)[C@@]3(C)CCCCN3C(=O)c3ccccc3)CC2)[nH]1 ZINC000096007121 568683022 /nfs/dbraw/zinc/68/30/22/568683022.db2.gz WVAWITCVXJEMIH-JOCHJYFZSA-N 0 0 410.522 1.842 50 0 HDAARN COc1ccnc(N2CCN(C(=O)c3ccccc3NC(=O)C(F)(F)F)CC2)n1 ZINC000096012359 568684694 /nfs/dbraw/zinc/68/46/94/568684694.db2.gz QIVMIRXBEAVZRA-UHFFFAOYSA-N 0 0 409.368 1.948 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 ZINC000096025863 568686466 /nfs/dbraw/zinc/68/64/66/568686466.db2.gz OANVBYNURPWJGQ-UHFFFAOYSA-N 0 0 420.535 1.633 50 0 HDAARN CCCCNC(=O)CCNC(=O)NCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000012389194 568687199 /nfs/dbraw/zinc/68/71/99/568687199.db2.gz GPEHRBSSBHEFTR-UHFFFAOYSA-N 0 0 411.466 1.214 50 0 HDAARN COc1cc(=O)n(CC(=O)NCCCn2ccnc2)nc1-c1ccc(Cl)cc1 ZINC000096100865 568690999 /nfs/dbraw/zinc/69/09/99/568690999.db2.gz VFQNZOHBSAAJMR-UHFFFAOYSA-N 0 0 401.854 1.975 50 0 HDAARN O=C(c1ccc[nH]c1=O)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105295 568692635 /nfs/dbraw/zinc/69/26/35/568692635.db2.gz GJFSMGBDOXUNPH-UHFFFAOYSA-N 0 0 414.849 1.755 50 0 HDAARN CCOC(=O)N1CCc2nn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)cc2C1 ZINC000096105719 568693036 /nfs/dbraw/zinc/69/30/36/568693036.db2.gz UZLIRWVAPLAPRT-MRXNPFEDSA-N 0 0 412.490 1.895 50 0 HDAARN COc1cccc(/C=C2/SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)c1 ZINC000012390329 568694652 /nfs/dbraw/zinc/69/46/52/568694652.db2.gz JMLVZOGVSHUALZ-IJEKBPOVSA-N 0 0 408.501 1.714 50 0 HDAARN COc1cccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)c1 ZINC000096116044 568695444 /nfs/dbraw/zinc/69/54/44/568695444.db2.gz FBNUSHRRRLBOAA-UHFFFAOYSA-N 0 0 402.355 1.178 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCN(CCc2ccncc2)CC1 ZINC000096116486 568696164 /nfs/dbraw/zinc/69/61/64/568696164.db2.gz XRJAGLGHLXFIEV-FQEVSTJZSA-N 0 0 421.501 1.299 50 0 biogenic HDAARN COc1cc2cc(C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)[nH]c2cc1OC ZINC000096118700 568698484 /nfs/dbraw/zinc/69/84/84/568698484.db2.gz DNGHOFPIRJVRDO-UHFFFAOYSA-N 0 0 408.414 1.618 50 0 HDAARN Cc1noc(C)c1CC(=O)Nc1nc(C(=O)N2CCN(c3ncccn3)CC2)co1 ZINC000096119011 568698514 /nfs/dbraw/zinc/69/85/14/568698514.db2.gz DRQOUTBDAZZQAQ-UHFFFAOYSA-N 0 0 411.422 1.213 50 0 HDAARN CN(C)c1nc(N)nc(COC(=O)COc2ccc(F)cc2Br)n1 ZINC000024981215 568699998 /nfs/dbraw/zinc/69/99/98/568699998.db2.gz NORXKBWZJAWINL-UHFFFAOYSA-N 0 0 400.208 1.544 50 0 HDAARN O=C(Cc1c(F)cccc1Cl)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124283 568700857 /nfs/dbraw/zinc/70/08/57/568700857.db2.gz VJGNCEOQNXODLI-UHFFFAOYSA-N 0 0 401.833 1.741 50 0 HDAARN CCOC(=O)Cc1csc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)n1 ZINC000021488272 568704211 /nfs/dbraw/zinc/70/42/11/568704211.db2.gz SPJJFWLIHOVBNO-UHFFFAOYSA-N 0 0 411.505 1.962 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 ZINC000096221211 568704941 /nfs/dbraw/zinc/70/49/41/568704941.db2.gz HLLCTKIQPXIBRK-KRWDZBQOSA-N 0 0 410.430 1.633 50 0 biogenic HDAARN Cn1nnc(-c2ccc(OCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)n1 ZINC000096220996 568704982 /nfs/dbraw/zinc/70/49/82/568704982.db2.gz KKKWBHSPPVMVLH-ZBFHGGJFSA-N 0 0 406.446 1.064 50 0 biogenic HDAARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2ccc(OC)c(O)c2)o1 ZINC000096222129 568705575 /nfs/dbraw/zinc/70/55/75/568705575.db2.gz XMWCPTGWVMPCGC-OAHLLOKOSA-N 0 0 419.430 1.587 50 0 biogenic HDAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(C(=O)COC)CC1 ZINC000096230629 568706747 /nfs/dbraw/zinc/70/67/47/568706747.db2.gz UZOJWTRMQWJKKR-UZLBHIALSA-N 0 0 403.523 1.893 50 0 HDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Cn2cncn2)cc1 ZINC000096231415 568707367 /nfs/dbraw/zinc/70/73/67/568707367.db2.gz ILNUWVYQWGUFNX-SFHVURJKSA-N 0 0 404.430 1.776 50 0 HDAARN O=C(NCc1cccs1)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000021530091 568710228 /nfs/dbraw/zinc/71/02/28/568710228.db2.gz LVNRPLBHAODDHF-INIZCTEOSA-N 0 0 401.513 1.922 50 0 HDAARN O=C(c1csc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1)N1CCCC1 ZINC000021534584 568711499 /nfs/dbraw/zinc/71/14/99/568711499.db2.gz RAHBUYMUZWIUAB-UHFFFAOYSA-N 0 0 423.516 1.724 50 0 HDAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCOCC1 ZINC000000859420 568713398 /nfs/dbraw/zinc/71/33/98/568713398.db2.gz WVVBEUIFQNTMTA-LJQANCHMSA-N 0 0 408.495 1.829 50 0 HDAARN COc1ccc(CCNC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]32)cc1 ZINC000229990661 568716805 /nfs/dbraw/zinc/71/68/05/568716805.db2.gz BOUFIJBMEBGOAP-VYIWNADRSA-N 0 0 407.463 1.750 50 0 HDAARN COc1cc(NC(=O)[C@H]2Nc3cc(C)ccc3S(=O)(=O)N2)cc(OC)c1OC ZINC000012414559 568717187 /nfs/dbraw/zinc/71/71/87/568717187.db2.gz ICEQGOOKMIRYPN-KRWDZBQOSA-N 0 0 407.448 1.689 50 0 HDAARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1nn2c(nc(C)cc2=O)s1 ZINC000021581066 568719953 /nfs/dbraw/zinc/71/99/53/568719953.db2.gz BBMXKUQXVGAPDV-UHFFFAOYSA-N 0 0 415.475 1.691 50 0 HDAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1 ZINC000012444069 568725346 /nfs/dbraw/zinc/72/53/46/568725346.db2.gz WQBOIFXEXROGOW-UHFFFAOYSA-N 0 0 421.866 1.855 50 0 HDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C(C)=O)cc1)c(=O)n2C ZINC000012445487 568726326 /nfs/dbraw/zinc/72/63/26/568726326.db2.gz AKSHCWFBESFCPP-UHFFFAOYSA-N 0 0 424.413 1.032 50 0 HDAARN COc1cc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)cc(OC)c1 ZINC000096320020 568728508 /nfs/dbraw/zinc/72/85/08/568728508.db2.gz SKUZZOWWLMPEQR-UHFFFAOYSA-N 0 0 423.491 1.922 50 0 HDAARN CC(C)NC(=O)CN1c2cc(S(=O)(=O)N3CCCC3)ccc2SCCC1=O ZINC000021648188 568728750 /nfs/dbraw/zinc/72/87/50/568728750.db2.gz CYMVDMTXTWIMMC-UHFFFAOYSA-N 0 0 411.549 1.825 50 0 HDAARN COc1ccc(OC)c(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1 ZINC000096321683 568729281 /nfs/dbraw/zinc/72/92/81/568729281.db2.gz MDNBUBGAGLBPJC-UHFFFAOYSA-N 0 0 424.461 1.700 50 0 HDAARN COc1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O ZINC000096321817 568729294 /nfs/dbraw/zinc/72/92/94/568729294.db2.gz UWQLNZDXCFHZRC-UHFFFAOYSA-N 0 0 417.418 1.863 50 0 HDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)c1C ZINC000096323321 568731648 /nfs/dbraw/zinc/73/16/48/568731648.db2.gz TZYHYVQSDHEHPC-UHFFFAOYSA-N 0 0 406.508 1.675 50 0 HDAARN COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 ZINC000096323253 568731687 /nfs/dbraw/zinc/73/16/87/568731687.db2.gz YWJFHMXEWVNMTB-UHFFFAOYSA-N 0 0 406.508 1.121 50 0 HDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)c1C ZINC000096323331 568731941 /nfs/dbraw/zinc/73/19/41/568731941.db2.gz AQFQNYCVAVWZNM-KRWDZBQOSA-N 0 0 420.535 1.820 50 0 HDAARN COC(=O)CN(c1nc2nc(C)cc(C)n2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000021660025 568735497 /nfs/dbraw/zinc/73/54/97/568735497.db2.gz YFTBLNLISVJSCI-UHFFFAOYSA-N 0 0 409.855 1.763 50 0 HDAARN COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000021682309 568738133 /nfs/dbraw/zinc/73/81/33/568738133.db2.gz GPWLHRDRLAAYKX-UHFFFAOYSA-N 0 0 421.475 1.371 50 0 HDAARN O=C(CCn1ccc(=O)[nH]c1=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096357680 568738629 /nfs/dbraw/zinc/73/86/29/568738629.db2.gz PNAXVZSBPMRXKS-UHFFFAOYSA-N 0 0 407.386 1.799 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000096377718 568740782 /nfs/dbraw/zinc/74/07/82/568740782.db2.gz QECMBDQCULZYAR-UHFFFAOYSA-N 0 0 413.448 1.444 50 0 HDAARN O=C(Cn1c2cccnc2n(-c2ccccc2)c1=O)N1CCN(c2ccccn2)CC1 ZINC000096385433 568741876 /nfs/dbraw/zinc/74/18/76/568741876.db2.gz CGFDUQJFHOHBFL-UHFFFAOYSA-N 0 0 414.469 1.931 50 0 HDAARN COc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1S(=O)(=O)N(C)C ZINC000018838399 568742330 /nfs/dbraw/zinc/74/23/30/568742330.db2.gz GIJYMHPUTOPIPV-UHFFFAOYSA-N 0 0 404.452 1.252 50 0 HDAARN Cc1ccc(C)c(C(=O)Cn2c(Br)nc3c2n(C)c(=O)n(C)c3=O)c1 ZINC000018998418 568745073 /nfs/dbraw/zinc/74/50/73/568745073.db2.gz GCJWJCBGUXOKSD-UHFFFAOYSA-N 0 0 405.252 1.696 50 0 HDAARN Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1 ZINC000021713880 568748739 /nfs/dbraw/zinc/74/87/39/568748739.db2.gz UNIUNBKSYVRDSL-UHFFFAOYSA-N 0 0 407.405 1.723 50 0 HDAARN CS(=O)(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc3nsnc32)c1 ZINC000019077021 568750589 /nfs/dbraw/zinc/75/05/89/568750589.db2.gz FSKOMVMMMUQXCZ-UHFFFAOYSA-N 0 0 406.445 1.858 50 0 HDAARN O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)Nc1ccccc1 ZINC000019077287 568750744 /nfs/dbraw/zinc/75/07/44/568750744.db2.gz ZUAXIEFPZCXPNL-UHFFFAOYSA-N 0 0 417.516 1.636 50 0 HDAARN O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1cccc2nsnc21 ZINC000019080014 568752733 /nfs/dbraw/zinc/75/27/33/568752733.db2.gz PMOVYNLKIAYSAO-UHFFFAOYSA-N 0 0 401.429 1.682 50 0 HDAARN Cc1cc(C)cc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000021869827 568756107 /nfs/dbraw/zinc/75/61/07/568756107.db2.gz XTRMAAFESRWIRW-FQEVSTJZSA-N 0 0 407.536 1.729 50 0 HDAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Br)cc1 ZINC000000951746 568757202 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568821974 /nfs/dbraw/zinc/82/19/74/568821974.db2.gz ZOZCKNOCZVXMDY-UHFFFAOYSA-N 0 0 419.453 1.243 50 0 HDAARN CCN1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)CC1 ZINC000056965500 568822444 /nfs/dbraw/zinc/82/24/44/568822444.db2.gz UARUTTGNEKYRDU-UHFFFAOYSA-N 0 0 415.519 1.730 50 0 HDAARN COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1OC ZINC000056997753 568822623 /nfs/dbraw/zinc/82/26/23/568822623.db2.gz MFIIAEWGJJRGDF-UHFFFAOYSA-N 0 0 412.490 1.581 50 0 HDAARN CCOC(=O)CCCNC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000005848609 568825627 /nfs/dbraw/zinc/82/56/27/568825627.db2.gz GYJUZNZNWIDVDC-UHFFFAOYSA-N 0 0 419.261 1.726 50 0 HDAARN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 ZINC000057303761 568826438 /nfs/dbraw/zinc/82/64/38/568826438.db2.gz FPPKWVVYGWLHGN-UHFFFAOYSA-N 0 0 419.489 1.676 50 0 HDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccccc1OC ZINC000005861863 568826464 /nfs/dbraw/zinc/82/64/64/568826464.db2.gz ZPVLMEXNJSIIFW-GOSISDBHSA-N 0 0 409.442 1.807 50 0 HDAARN 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CC(C)N(C)C(=O)CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299797457 568876332 /nfs/dbraw/zinc/87/63/32/568876332.db2.gz OHPVPANARAAAPU-FQEVSTJZSA-N 0 0 421.513 1.763 50 0 HDAARN COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000003301299 568876588 /nfs/dbraw/zinc/87/65/88/568876588.db2.gz IULVEVDWSMFQHB-UHFFFAOYSA-N 0 0 404.488 1.955 50 0 HDAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ncccn4)CC3)ccc21 ZINC000015324806 568877042 /nfs/dbraw/zinc/87/70/42/568877042.db2.gz DQTPKAFHJLOYHA-UHFFFAOYSA-N 0 0 401.492 1.287 50 0 HDAARN CN(CC(=O)NCc1ccc(Cn2cccn2)cc1)S(=O)(=O)c1cccs1 ZINC000012626269 568878830 /nfs/dbraw/zinc/87/88/30/568878830.db2.gz BUUDHUIUZUCGCR-UHFFFAOYSA-N 0 0 404.517 1.930 50 0 HDAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1 ZINC000003318782 568879901 /nfs/dbraw/zinc/87/99/01/568879901.db2.gz XQYLWUIFFRJIJL-UHFFFAOYSA-N 0 0 422.459 1.713 50 0 HDAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000004044968 568880164 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COc1ccc(-c2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1 ZINC000253414647 569366937 /nfs/dbraw/zinc/36/69/37/569366937.db2.gz YBWPUJMXQREGBV-HNNXBMFYSA-N 0 0 406.402 1.560 50 0 biogenic HDAARN NS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCOCC2)c(Cl)c1 ZINC000253417634 569367328 /nfs/dbraw/zinc/36/73/28/569367328.db2.gz OMRUHKIQQFUQRS-UHFFFAOYSA-N 0 0 410.883 1.149 50 0 HDAARN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000253420706 569367939 /nfs/dbraw/zinc/36/79/39/569367939.db2.gz ZTVZFBVWNOKADX-SNVBAGLBSA-N 0 0 412.737 1.575 50 0 HDAARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000027556976 569372739 /nfs/dbraw/zinc/37/27/39/569372739.db2.gz WJALTBFJJLQEKT-DZGCQCFKSA-N 0 0 417.487 1.041 50 0 HDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000054976629 569372853 /nfs/dbraw/zinc/37/28/53/569372853.db2.gz SPGAAVQLHUYNDE-IBGZPJMESA-N 0 0 414.506 1.787 50 0 HDAARN CCOC(=O)C1=C(CN2CCC(C(N)=O)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000054976630 569372948 /nfs/dbraw/zinc/37/29/48/569372948.db2.gz SPGAAVQLHUYNDE-LJQANCHMSA-N 0 0 414.506 1.787 50 0 HDAARN CCn1cc(C(=O)N2CCc3nc4ccccn4c(=O)c3C2)c(=O)c2ccc(C)nc21 ZINC000253472376 569381470 /nfs/dbraw/zinc/38/14/70/569381470.db2.gz LXRZVTDVVNMMCC-UHFFFAOYSA-N 0 0 415.453 1.931 50 0 HDAARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccc(C(C)=O)cc1 ZINC000253498564 569381934 /nfs/dbraw/zinc/38/19/34/569381934.db2.gz NLFBZPXTFIBIDP-LJGAWZCMSA-N 0 0 417.414 1.566 50 0 HDAARN CCOC(=O)c1cc(C(=O)OCC)c(NNS(=O)(=O)c2cccs2)[nH]c1=O ZINC000008887930 569390822 /nfs/dbraw/zinc/39/08/22/569390822.db2.gz ICYRVUMFVCTNDY-UHFFFAOYSA-N 0 0 415.449 1.508 50 0 HDAARN COCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O ZINC000011990474 569399264 /nfs/dbraw/zinc/39/92/64/569399264.db2.gz NCOOCKNRUOHXAO-UHFFFAOYSA-N 0 0 400.460 1.781 50 0 HDAARN COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NCCO ZINC000002447857 569401888 /nfs/dbraw/zinc/40/18/88/569401888.db2.gz JASNBKLCYGXQDI-UHFFFAOYSA-N 0 0 413.459 1.532 50 0 HDAARN CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccnc3)[C@H]4C2=O)cc1 ZINC000012664476 569402725 /nfs/dbraw/zinc/40/27/25/569402725.db2.gz UVCOEXFAJRHSLW-ISHFTEKXSA-N 0 0 418.453 1.643 50 0 HDAARN O=C(CS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCCCNC1=O ZINC000055345892 569405648 /nfs/dbraw/zinc/40/56/48/569405648.db2.gz RSLIMCBQCBMNDM-LBPRGKRZSA-N 0 0 412.817 1.917 50 0 HDAARN CCCN(C(=O)CSc1nnnn1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000013057962 569408186 /nfs/dbraw/zinc/40/81/86/569408186.db2.gz YJMVHTFIUKRUKI-HNNXBMFYSA-N 0 0 423.564 1.797 50 0 HDAARN CCNC(=S)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 ZINC000013097143 569408893 /nfs/dbraw/zinc/40/88/93/569408893.db2.gz SZDVSSXHUSVWRA-UHFFFAOYSA-N 0 0 413.613 1.775 50 0 HDAARN O=C(NCc1cscn1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000013354191 569411244 /nfs/dbraw/zinc/41/12/44/569411244.db2.gz VNTOWQVLLOOBLO-UHFFFAOYSA-N 0 0 423.545 1.865 50 0 HDAARN CN(CCc1ccncc1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371157 569412891 /nfs/dbraw/zinc/41/28/91/569412891.db2.gz FFRRSAWBWXCXQE-GJZGRUSLSA-N 0 0 400.547 1.257 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccccc1F ZINC000013371469 569412910 /nfs/dbraw/zinc/41/29/10/569412910.db2.gz NLWALXWVWRGDHP-IRXDYDNUSA-N 0 0 401.456 1.694 50 0 HDAARN Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccccc2)ccc1F ZINC000013371851 569413003 /nfs/dbraw/zinc/41/30/03/569413003.db2.gz RDMOIRRIEYTYHV-OALUTQOASA-N 0 0 411.520 1.906 50 0 HDAARN O=C(NCCNS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(-n2cccn2)n1 ZINC000328589859 569414865 /nfs/dbraw/zinc/41/48/65/569414865.db2.gz LJGMVLIRKPHAGT-UHFFFAOYSA-N 0 0 423.857 1.768 50 0 HDAARN C[C@H](O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000328590090 569414918 /nfs/dbraw/zinc/41/49/18/569414918.db2.gz WXKJSGOTGYMCEO-MPGHIAIKSA-N 0 0 409.914 1.059 50 0 HDAARN CCc1cccc(OC[C@@H](O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1 ZINC000328596123 569415968 /nfs/dbraw/zinc/41/59/68/569415968.db2.gz TUVWBVFKCXFPMW-HNNXBMFYSA-N 0 0 416.503 1.692 50 0 HDAARN CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000079020492 569424233 /nfs/dbraw/zinc/42/42/33/569424233.db2.gz PHFXOICKGLEPJR-MRXNPFEDSA-N 0 0 422.551 1.311 50 0 HDAARN CCC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1nnc2ccccn21 ZINC000079048673 569425438 /nfs/dbraw/zinc/42/54/38/569425438.db2.gz ZOQVQYALFNHCOF-OAHLLOKOSA-N 0 0 408.505 1.953 50 0 HDAARN CC1CCN(C(=O)c2ccc(NC(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000079051686 569425553 /nfs/dbraw/zinc/42/55/53/569425553.db2.gz UZGIAEVNVNRUCE-FQEVSTJZSA-N 0 0 418.538 1.716 50 0 HDAARN O=C(Nc1cccc(I)c1)N(CCO)CCN1CCOCC1 ZINC000079067582 569426589 /nfs/dbraw/zinc/42/65/89/569426589.db2.gz GOFMRDREOCSAAT-UHFFFAOYSA-N 0 0 419.263 1.450 50 0 HDAARN CCOC(Cn1cc(C(=O)N(CCOCCOC)Cc2ccccc2)nn1)OCC ZINC000079094292 569427179 /nfs/dbraw/zinc/42/71/79/569427179.db2.gz OATPBROOELQYHC-UHFFFAOYSA-N 0 0 420.510 1.983 50 0 HDAARN CN(C)C(=O)COc1cccc(CNc2ccc(C(=O)NC3CCOCC3)nn2)c1 ZINC000079102965 569427505 /nfs/dbraw/zinc/42/75/05/569427505.db2.gz VLRVJMQJJFYFAI-UHFFFAOYSA-N 0 0 413.478 1.465 50 0 HDAARN C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000079103962 569427625 /nfs/dbraw/zinc/42/76/25/569427625.db2.gz XLOXLIVBZZWSRT-KSSFIOAISA-N 0 0 412.533 1.727 50 0 HDAARN O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000019796914 569430207 /nfs/dbraw/zinc/43/02/07/569430207.db2.gz PJDYSRNYOUHWLF-PMACEKPBSA-N 0 0 420.556 1.448 50 0 HDAARN Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N(C)CCc2ccncc2)cc1 ZINC000019797008 569430365 /nfs/dbraw/zinc/43/03/65/569430365.db2.gz YWQRSJYYMGTVPJ-OALUTQOASA-N 0 0 408.545 1.504 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2ccccc2C1 ZINC000019797066 569430391 /nfs/dbraw/zinc/43/03/91/569430391.db2.gz JKVPNROULBPOIX-OALUTQOASA-N 0 0 409.504 1.823 50 0 HDAARN COc1ccccc1-n1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O ZINC000079492450 569432493 /nfs/dbraw/zinc/43/24/93/569432493.db2.gz XFAWMEZNHCGAJB-CQSZACIVSA-N 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0 HDAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCc1ccccn1 ZINC000021919495 568760390 /nfs/dbraw/zinc/76/03/90/568760390.db2.gz IZQOIBNDAXYXIC-QFIPXVFZSA-N 0 0 405.458 1.313 50 0 HDAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCCCOC ZINC000021919877 568760590 /nfs/dbraw/zinc/76/05/90/568760590.db2.gz SQAIKGJLQKLYSC-OAQYLSRUSA-N 0 0 400.479 1.145 50 0 HDAARN COc1cc(OC)nc(NC(=O)CSc2nnc(N(C(C)=O)C3CC3)s2)n1 ZINC000025244888 568760708 /nfs/dbraw/zinc/76/07/08/568760708.db2.gz AUPVCGWHTBLONI-UHFFFAOYSA-N 0 0 410.481 1.591 50 0 HDAARN O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000021940469 568763044 /nfs/dbraw/zinc/76/30/44/568763044.db2.gz YRLBEIHMLXAKKM-IBGZPJMESA-N 0 0 413.499 1.715 50 0 HDAARN O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000021940536 568763157 /nfs/dbraw/zinc/76/31/57/568763157.db2.gz QTDFVNFROFCNJL-QGZVFWFLSA-N 0 0 414.487 1.110 50 0 HDAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000001021703 568763604 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FBYHAXLNMWXDLA-UHFFFAOYSA-N 0 0 410.358 1.533 50 0 HDAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCCN1C(=O)CSC1=O ZINC000003371149 568890743 /nfs/dbraw/zinc/89/07/43/568890743.db2.gz ZIOLVYNQDJIREY-UHFFFAOYSA-N 0 0 416.459 1.458 50 0 HDAARN NC(=O)c1ccsc1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000003378404 568891776 /nfs/dbraw/zinc/89/17/76/568891776.db2.gz DAZKRELZIJYMNO-UHFFFAOYSA-N 0 0 401.400 1.015 50 0 HDAARN Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000670440158 568892084 /nfs/dbraw/zinc/89/20/84/568892084.db2.gz IRMCMAHQEWIGAS-UHFFFAOYSA-N 0 0 411.549 1.630 50 0 HDAARN COc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(OC)c1 ZINC000003386803 568893535 /nfs/dbraw/zinc/89/35/35/568893535.db2.gz LRGFDVJOBUPWTL-UHFFFAOYSA-N 0 0 402.403 1.438 50 0 HDAARN CCCCCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000003391398 568894408 /nfs/dbraw/zinc/89/44/08/568894408.db2.gz HWKLRRWAOCWZFE-UHFFFAOYSA-N 0 0 403.435 1.275 50 0 HDAARN CCOC(=O)N[C@@H](CNC(=O)CCNC(=O)c1ccc2c[nH]nc2c1)CC(C)C ZINC000058162219 568894865 /nfs/dbraw/zinc/89/48/65/568894865.db2.gz KMWBMECRDGYBFG-MRXNPFEDSA-N 0 0 403.483 1.960 50 0 HDAARN O=C(CNC(=O)c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000003442956 568904109 /nfs/dbraw/zinc/90/41/09/568904109.db2.gz ITTAOCIZKRFREL-UHFFFAOYSA-N 0 0 421.906 1.603 50 0 HDAARN Cc1cc(C)nc(SCCn2c(N3CCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000001262442 568909287 /nfs/dbraw/zinc/90/92/87/568909287.db2.gz BOIAYWUNTNIJEJ-UHFFFAOYSA-N 0 0 415.523 1.233 50 0 HDAARN NC(=O)C1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)CC1 ZINC000263615047 568909758 /nfs/dbraw/zinc/90/97/58/568909758.db2.gz AGWCLQVPOYHXPX-UHFFFAOYSA-N 0 0 400.826 1.488 50 0 HDAARN C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)NC(N)=O ZINC000003502947 568910566 /nfs/dbraw/zinc/91/05/66/568910566.db2.gz VCWCDUWWAOHUGT-VIFPVBQESA-N 0 0 415.789 1.881 50 0 HDAARN CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003503768 568910707 /nfs/dbraw/zinc/91/07/07/568910707.db2.gz JSEXGBQWKCYJIM-UHFFFAOYSA-N 0 0 417.553 1.006 50 0 HDAARN O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000217789396 568912122 /nfs/dbraw/zinc/91/21/22/568912122.db2.gz QPKZYTJIVKHVII-SSDOTTSWSA-N 0 0 411.324 1.969 50 0 HDAARN O=C(c1ncn2c1CO[C@H](c1ccccc1)C2)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000263619272 568912254 /nfs/dbraw/zinc/91/22/54/568912254.db2.gz XVSMCQFPOYSRMF-FQEVSTJZSA-N 0 0 424.501 1.866 50 0 HDAARN Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000003557157 568915328 /nfs/dbraw/zinc/91/53/28/568915328.db2.gz KSSKTYMDTWVUMT-UHFFFAOYSA-N 0 0 402.472 1.913 50 0 HDAARN Cc1nc(SCC(=O)N2CCN(Cc3cccs3)CC2)sc1CC(N)=O ZINC000031172070 568916826 /nfs/dbraw/zinc/91/68/26/568916826.db2.gz PIVIYFRRXHOZRT-UHFFFAOYSA-N 0 0 410.590 1.977 50 0 HDAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000031173505 568916882 /nfs/dbraw/zinc/91/68/82/568916882.db2.gz QECWHXMJIQGKOV-STQMWFEESA-N 0 0 405.401 1.703 50 0 HDAARN CC(C)(C)NC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000003595431 568918511 /nfs/dbraw/zinc/91/85/11/568918511.db2.gz LGIVNRGHHUSGAR-SFHVURJKSA-N 0 0 412.393 1.679 50 0 HDAARN CCOC(=O)CNC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F ZINC000004166517 568919205 /nfs/dbraw/zinc/91/92/05/568919205.db2.gz DWFZZAUFZJLHJT-UHFFFAOYSA-N 0 0 404.427 1.180 50 0 HDAARN Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000031235258 568920264 /nfs/dbraw/zinc/92/02/64/568920264.db2.gz BLGZJKYPMQAHBC-OAHLLOKOSA-N 0 0 409.490 1.439 50 0 HDAARN O=C(C[C@H]1OC(=O)c2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000012733004 568923094 /nfs/dbraw/zinc/92/30/94/568923094.db2.gz VBTNBJUDCJYRBY-QGZVFWFLSA-N 0 0 418.446 1.960 50 0 HDAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(OC(F)F)c1 ZINC000012733093 568923311 /nfs/dbraw/zinc/92/33/11/568923311.db2.gz VMSDVEPVNMJXNA-UHFFFAOYSA-N 0 0 416.384 1.913 50 0 HDAARN COC(=O)C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccc(OC)c(OC)c1 ZINC000031494836 568926956 /nfs/dbraw/zinc/92/69/56/568926956.db2.gz ADZFGTDQAZRIQU-INIZCTEOSA-N 0 0 411.418 1.714 50 0 HDAARN COc1ccc(-n2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)n2)cc1 ZINC000083952398 568927503 /nfs/dbraw/zinc/92/75/03/568927503.db2.gz IZPRVFTXYGYCDR-LJQANCHMSA-N 0 0 400.479 1.444 50 0 HDAARN COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 ZINC000003958454 568930421 /nfs/dbraw/zinc/93/04/21/568930421.db2.gz BNVABAXLIFKULG-IRXDYDNUSA-N 0 0 417.462 1.068 50 0 HDAARN O=C(CN1C(=O)[C@@H]2C=CC=C[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000001264183 568930628 /nfs/dbraw/zinc/93/06/28/568930628.db2.gz PPCRDERFHPIULC-ZIAGYGMSSA-N 0 0 404.216 1.902 50 0 HDAARN NS(=O)(=O)c1cccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1 ZINC000012745666 568931448 /nfs/dbraw/zinc/93/14/48/568931448.db2.gz WVDFSPWHAQKKPK-UHFFFAOYSA-N 0 0 409.514 1.936 50 0 HDAARN C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000004024665 568933968 /nfs/dbraw/zinc/93/39/68/568933968.db2.gz KEUUMAZYNPYVIQ-ILWKUFEGSA-N 0 0 412.442 1.676 50 0 biogenic HDAARN CCN(C(=O)[C@@H](C)OC(=O)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000012748325 568934545 /nfs/dbraw/zinc/93/45/45/568934545.db2.gz IFUMHPGEWDLKNL-HIFRSBDPSA-N 0 0 413.492 1.214 50 0 HDAARN CCOC(=O)[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1 ZINC000004061379 568937225 /nfs/dbraw/zinc/93/72/25/568937225.db2.gz DSFZTEHKDYYKBK-LBPRGKRZSA-N 0 0 415.475 1.587 50 0 HDAARN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012749610 568937472 /nfs/dbraw/zinc/93/74/72/568937472.db2.gz IRCMRGHZEKXESU-UHFFFAOYSA-N 0 0 406.489 1.883 50 0 HDAARN COc1cc(S(=O)(=O)NC(C)C)c(S(=O)(=O)NC(C)C)c(OC)c1OC ZINC000001426091 568939114 /nfs/dbraw/zinc/93/91/14/568939114.db2.gz QLERJLWNVXQTBT-UHFFFAOYSA-N 0 0 410.514 1.086 50 0 HDAARN [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000004083331 568939397 /nfs/dbraw/zinc/93/93/97/568939397.db2.gz MHMCMAAVQMBAFT-PMACEKPBSA-N 0 0 409.486 1.737 50 0 biogenic HDAARN COc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC[C@H]2CCCO2)c2ccco2)cc1 ZINC000004103898 568942896 /nfs/dbraw/zinc/94/28/96/568942896.db2.gz DBHZHGWRZATFOV-WBVHZDCISA-N 0 0 408.476 1.993 50 0 HDAARN CC(C)CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000012757630 568943217 /nfs/dbraw/zinc/94/32/17/568943217.db2.gz MVFGWWLITKSUGN-UHFFFAOYSA-N 0 0 415.899 1.550 50 0 HDAARN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1ccc(C)cc1 ZINC000012758641 568943618 /nfs/dbraw/zinc/94/36/18/568943618.db2.gz MFKQQHSCTTUMHZ-HXUWFJFHSA-N 0 0 409.486 1.992 50 0 HDAARN O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)NCCSc1ccccc1 ZINC000012761226 568945444 /nfs/dbraw/zinc/94/54/44/568945444.db2.gz KREJMXTUOQCGJW-INMHGKMJSA-N 0 0 411.549 1.302 50 0 HDAARN CCc1nc(SCC(=O)Nc2ccc(F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138910 568945766 /nfs/dbraw/zinc/94/57/66/568945766.db2.gz BMZRDAJZZXEGRM-UHFFFAOYSA-N 0 0 403.439 1.460 50 0 HDAARN COc1ccccc1NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004138782 568945867 /nfs/dbraw/zinc/94/58/67/568945867.db2.gz GGCTYJGWHGQOTK-UHFFFAOYSA-N 0 0 401.448 1.075 50 0 HDAARN C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000012762672 568946456 /nfs/dbraw/zinc/94/64/56/568946456.db2.gz RYHZIQSHOQBRKV-SGTLLEGYSA-N 0 0 412.398 1.753 50 0 HDAARN O=C(c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCCCC1 ZINC000012763109 568946663 /nfs/dbraw/zinc/94/66/63/568946663.db2.gz KUWAEEMOQHITHJ-UHFFFAOYSA-N 0 0 414.487 1.961 50 0 HDAARN Nc1c(N(CCO)CCCOc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000012768496 568949952 /nfs/dbraw/zinc/94/99/52/568949952.db2.gz CQMKADMTXVKFBH-UHFFFAOYSA-N 0 0 410.474 1.435 50 0 HDAARN O=C(CN1CCNC(=O)C[C@@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000084525338 568950235 /nfs/dbraw/zinc/95/02/35/568950235.db2.gz PVWNJOXMRBAASP-MRXNPFEDSA-N 0 0 410.430 1.627 50 0 HDAARN COC(=O)[C@@H](C)n1c(=O)c2c(nc3n2cc(C)n3-c2ccc(OC)cc2)n(C)c1=O ZINC000004250628 568954680 /nfs/dbraw/zinc/95/46/80/568954680.db2.gz GFSXTBOLBSJBGH-GFCCVEGCSA-N 0 0 411.418 1.190 50 0 HDAARN CCOC(=O)Cn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(F)cc2)n(C)c1=O ZINC000004250843 568954969 /nfs/dbraw/zinc/95/49/69/568954969.db2.gz KMTCVVIEUGNFOX-UHFFFAOYSA-N 0 0 413.409 1.458 50 0 HDAARN CCOCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccccc2OC)n(C)c1=O ZINC000004250810 568955037 /nfs/dbraw/zinc/95/50/37/568955037.db2.gz KHXGSXCIKPDOGZ-UHFFFAOYSA-N 0 0 411.462 1.801 50 0 HDAARN C[C@@]1(c2cccc(C(=O)NCCNc3ncccc3C(F)(F)F)c2)NC(=O)NC1=O ZINC000084668188 568955424 /nfs/dbraw/zinc/95/54/24/568955424.db2.gz FJZVYGXNTZXCBZ-SFHVURJKSA-N 0 0 421.379 1.997 50 0 HDAARN CCCc1nc(SCC(=O)N2CCCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004266087 568956092 /nfs/dbraw/zinc/95/60/92/568956092.db2.gz HNMJFSGQPNHCAF-UHFFFAOYSA-N 0 0 405.524 1.474 50 0 HDAARN Cn1c(=O)c2cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000012779316 568956499 /nfs/dbraw/zinc/95/64/99/568956499.db2.gz ORVSJTMESIRYTO-UHFFFAOYSA-N 0 0 424.848 1.783 50 0 HDAARN Cc1c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)n(C)c(=O)n1C ZINC000004270172 568956578 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1.993 50 0 HDAARN COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000006893309 569174780 /nfs/dbraw/zinc/17/47/80/569174780.db2.gz LHIKTAFPVCUACT-UHFFFAOYSA-N 0 0 404.444 1.506 50 0 HDAARN COc1ccc(NC(=O)c2ccc3nn(CC(=O)NCc4ccco4)c(=O)n3c2)cc1 ZINC000065100158 569177245 /nfs/dbraw/zinc/17/72/45/569177245.db2.gz QXQRVMSSRKAGBL-UHFFFAOYSA-N 0 0 421.413 1.666 50 0 HDAARN CNC(=O)CCc1nc2ccccc2n(CC(=O)NCc2cccc(OC)c2)c1=O ZINC000065101612 569178295 /nfs/dbraw/zinc/17/82/95/569178295.db2.gz NVCZSFNMJQHDIG-UHFFFAOYSA-N 0 0 408.458 1.400 50 0 HDAARN CNS(=O)(=O)c1cccc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000006913626 569179608 /nfs/dbraw/zinc/17/96/08/569179608.db2.gz YSNLMIPJYDIQOM-UHFFFAOYSA-N 0 0 412.489 1.202 50 0 HDAARN CCn1nc2c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)cccn2c1=O ZINC000065129425 569181874 /nfs/dbraw/zinc/18/18/74/569181874.db2.gz FFOCICVCZPERFS-UHFFFAOYSA-N 0 0 405.455 1.166 50 0 HDAARN CCOc1ccccc1NC(=O)Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2 ZINC000065132688 569182735 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C[C@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21 ZINC000036619513 569210714 /nfs/dbraw/zinc/21/07/14/569210714.db2.gz DVKJKUCETGCDDV-CYBMUJFWSA-N 0 0 400.870 1.895 50 0 HDAARN C[C@@H](CN1CCOCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21 ZINC000036619512 569210754 /nfs/dbraw/zinc/21/07/54/569210754.db2.gz DVKJKUCETGCDDV-ZDUSSCGKSA-N 0 0 400.870 1.895 50 0 HDAARN COC(=O)Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000007047850 569211300 /nfs/dbraw/zinc/21/13/00/569211300.db2.gz RCYNLKAQMWRJSX-SNVBAGLBSA-N 0 0 405.432 1.788 50 0 HDAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000524730501 569211972 /nfs/dbraw/zinc/21/19/72/569211972.db2.gz LBSLNRCPJIATKA-VRCAPQLRSA-N 0 0 420.579 1.572 50 0 biogenic HDAARN COc1cc([C@H](CC(=O)NCC(OC)OC)c2oc(C)cc(=O)c2O)ccc1O ZINC000524731721 569212502 /nfs/dbraw/zinc/21/25/02/569212502.db2.gz INOOSRHOVKXDMG-ZDUSSCGKSA-N 0 0 407.419 1.625 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccn2)no1 ZINC000524732919 569212784 /nfs/dbraw/zinc/21/27/84/569212784.db2.gz AARKHTYPMWBDRF-INIZCTEOSA-N 0 0 420.429 1.321 50 0 biogenic HDAARN O=C(NCCn1cnc2ccccc2c1=O)c1c2c(sc1-n1cnnn1)CCC2 ZINC000524732972 569212836 /nfs/dbraw/zinc/21/28/36/569212836.db2.gz HKXRHQMVYHMKEL-UHFFFAOYSA-N 0 0 407.459 1.352 50 0 HDAARN O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CCN(CCc2ccncc2)CC1 ZINC000524734589 569213689 /nfs/dbraw/zinc/21/36/89/569213689.db2.gz SPJVZMORZZSNIY-UHFFFAOYSA-N 0 0 409.519 1.608 50 0 HDAARN CN(Cc1ccsc1)C(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O ZINC000007080765 569217447 /nfs/dbraw/zinc/21/74/47/569217447.db2.gz REBVPDCEKWOWFI-HXUWFJFHSA-N 0 0 415.471 1.988 50 0 HDAARN Cc1ccccc1-c1nnn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000007082238 569217458 /nfs/dbraw/zinc/21/74/58/569217458.db2.gz XBGOUSQAJXNNAZ-MRXNPFEDSA-N 0 0 403.508 1.607 50 0 HDAARN O=C(Cn1ncc2c1ncnc2N1CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000065295046 569218627 /nfs/dbraw/zinc/21/86/27/569218627.db2.gz GMKYTXCPZYLTRV-UHFFFAOYSA-N 0 0 406.494 1.560 50 0 HDAARN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cccc[n+]1[O-] ZINC000007096139 569219573 /nfs/dbraw/zinc/21/95/73/569219573.db2.gz HEZQBZIGJQDRPN-UHFFFAOYSA-N 0 0 410.521 1.367 50 0 HDAARN CCc1nnc2nc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)cc(C)n12 ZINC000065311830 569221011 /nfs/dbraw/zinc/22/10/11/569221011.db2.gz YHJDJTHHOZUTNL-UHFFFAOYSA-N 0 0 424.505 1.904 50 0 HDAARN CCc1cc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)nc2nnc(C)n21 ZINC000065311929 569221097 /nfs/dbraw/zinc/22/10/97/569221097.db2.gz OSKFAQGPLFHOTO-UHFFFAOYSA-N 0 0 410.478 1.731 50 0 HDAARN CCOC(=O)Nc1nc(CC(=O)NCCn2nc(-c3ccco3)ccc2=O)cs1 ZINC000036709284 569224012 /nfs/dbraw/zinc/22/40/12/569224012.db2.gz LWLOUNRCTHEVOZ-UHFFFAOYSA-N 0 0 417.447 1.887 50 0 HDAARN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC1CC1 ZINC000007124570 569224331 /nfs/dbraw/zinc/22/43/31/569224331.db2.gz ZSGMOIXFOAQSQI-UHFFFAOYSA-N 0 0 404.444 1.795 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000007135780 569225651 /nfs/dbraw/zinc/22/56/51/569225651.db2.gz UEGVFDJIRLLPPY-UHFFFAOYSA-N 0 0 421.544 1.607 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2nc3ccccc3o2)c1 ZINC000007143105 569226339 /nfs/dbraw/zinc/22/63/39/569226339.db2.gz ZAIGOEMWEMYGQA-UHFFFAOYSA-N 0 0 419.459 1.839 50 0 HDAARN Cn1c2ncn(CC(=O)N[C@H](c3cccs3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000007153592 569226643 /nfs/dbraw/zinc/22/66/43/569226643.db2.gz MDVVZULSLUHLSY-INIZCTEOSA-N 0 0 409.471 1.401 50 0 HDAARN Nc1nc(N)nc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)n1 ZINC000007183372 569227746 /nfs/dbraw/zinc/22/77/46/569227746.db2.gz SKCBGFFACFPMBG-LBPRGKRZSA-N 0 0 402.459 1.905 50 0 HDAARN CN(C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)C1CCCCC1 ZINC000007219920 569229296 /nfs/dbraw/zinc/22/92/96/569229296.db2.gz HMFMYLFMOOXUST-UHFFFAOYSA-N 0 0 413.565 1.986 50 0 HDAARN COC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(C)C ZINC000036848666 569229872 /nfs/dbraw/zinc/22/98/72/569229872.db2.gz RACHOSQJNCERHR-AWEZNQCLSA-N 0 0 421.313 1.383 50 0 HDAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000007287745 569232122 /nfs/dbraw/zinc/23/21/22/569232122.db2.gz BPDSXBMBZLCYRH-UHFFFAOYSA-N 0 0 416.478 1.737 50 0 HDAARN O=C(CSc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007289606 569232148 /nfs/dbraw/zinc/23/21/48/569232148.db2.gz KQNAWWLQSPCLKO-UHFFFAOYSA-N 0 0 409.489 1.943 50 0 HDAARN CCc1cccc(OC[C@@H](O)Cn2c(N[C@H](C)CC)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000007425629 569238132 /nfs/dbraw/zinc/23/81/32/569238132.db2.gz AVDHPXIYDOYVEY-HIFRSBDPSA-N 0 0 415.494 1.636 50 0 HDAARN CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 ZINC000007425510 569238166 /nfs/dbraw/zinc/23/81/66/569238166.db2.gz CHNNJKSNWPFDFN-HNNXBMFYSA-N 0 0 415.494 1.692 50 0 HDAARN CC[C@@H](C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 ZINC000007425736 569238306 /nfs/dbraw/zinc/23/83/06/569238306.db2.gz XHEMEPJWBLLQPT-HUUCEWRRSA-N 0 0 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Cc1nonc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000020407106 558360447 /nfs/dbraw/zinc/36/04/47/558360447.db2.gz VTBPXVRJCLLXLK-MRXNPFEDSA-N 0 0 409.512 1.569 50 0 HDAARN Cn1ccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 ZINC000020448892 558364081 /nfs/dbraw/zinc/36/40/81/558364081.db2.gz ITOMZIBMEHBWFL-UHFFFAOYSA-N 0 0 413.551 1.683 50 0 HDAARN CC1CCN(Cc2nnnn2CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000012302360 558372025 /nfs/dbraw/zinc/37/20/25/558372025.db2.gz LTBZIDAPNZMTQO-UHFFFAOYSA-N 0 0 408.510 1.450 50 0 HDAARN Cc1nccn1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000012303120 558372629 /nfs/dbraw/zinc/37/26/29/558372629.db2.gz LPXHVIRCPLMBSN-KRWDZBQOSA-N 0 0 407.877 1.491 50 0 HDAARN CCN(CC)C(=O)Cn1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)nn1 ZINC000012316136 558379620 /nfs/dbraw/zinc/37/96/20/558379620.db2.gz YMACKLZEMPRJJU-KRWDZBQOSA-N 0 0 401.515 1.736 50 0 HDAARN COCCCn1c(CN2CCC([C@@H](O)CC(C)C)CC2)cnc1S(C)(=O)=O ZINC000012317004 558380315 /nfs/dbraw/zinc/38/03/15/558380315.db2.gz CEJLUKSIQDXSLK-SFHVURJKSA-N 0 0 401.573 1.942 50 0 HDAARN O=C(CCc1ccccn1)N1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020514979 558382614 /nfs/dbraw/zinc/38/26/14/558382614.db2.gz ZMHXQJSSVKTMRX-FGZHOGPDSA-N 0 0 412.509 1.937 50 0 HDAARN C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCN(C)CC1 ZINC000020533544 558384917 /nfs/dbraw/zinc/38/49/17/558384917.db2.gz GSLOJYAAXKNBLS-GQWAEJPESA-N 0 0 416.547 1.314 50 0 HDAARN CCN1CCN(C(=O)C2CCC(CNC(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000020622091 558394037 /nfs/dbraw/zinc/39/40/37/558394037.db2.gz PQLUAEQPHWFAQG-UHFFFAOYSA-N 0 0 414.550 1.503 50 0 HDAARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 ZINC000012385399 558394240 /nfs/dbraw/zinc/39/42/40/558394240.db2.gz FEVSAMZOHAIGFC-FQEVSTJZSA-N 0 0 412.534 1.299 50 0 HDAARN C[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(F)c2)C[C@H](C)O1 ZINC000012406570 558398282 /nfs/dbraw/zinc/39/82/82/558398282.db2.gz OYJQRRDQMSBTGT-BETUJISGSA-N 0 0 401.442 1.235 50 0 HDAARN CSCC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1nnc2ccccn21 ZINC000020714985 558400886 /nfs/dbraw/zinc/40/08/86/558400886.db2.gz PFQDGDXHYXHZQP-OAHLLOKOSA-N 0 0 409.471 1.936 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000020714960 558400911 /nfs/dbraw/zinc/40/09/11/558400911.db2.gz JBTYHIWTFXOLNX-CQSZACIVSA-N 0 0 421.906 1.699 50 0 HDAARN COc1cc(NC(=O)COc2nsnc2N2CCOCC2)cc(OC)c1OC ZINC000012418779 558402699 /nfs/dbraw/zinc/40/26/99/558402699.db2.gz PUZRDTKJSBJNME-UHFFFAOYSA-N 0 0 410.452 1.418 50 0 HDAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(CCN2CCOCC2)nn1 ZINC000012429787 558404667 /nfs/dbraw/zinc/40/46/67/558404667.db2.gz XNWLVEZYXUJDOW-SFHVURJKSA-N 0 0 401.515 1.200 50 0 HDAARN O=C(NCCNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000020744579 558409203 /nfs/dbraw/zinc/40/92/03/558409203.db2.gz BXFWZSCJLQIYOF-PXNSSMCTSA-N 0 0 423.469 1.108 50 0 HDAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCC2(CC1)OCCO2 ZINC000020744848 558409664 /nfs/dbraw/zinc/40/96/64/558409664.db2.gz NQKLKQUGTKMWFY-UHFFFAOYSA-N 0 0 412.490 1.991 50 0 biogenic HDAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000020745553 558410256 /nfs/dbraw/zinc/41/02/56/558410256.db2.gz VPUMYMFKCOZXPG-YWZLYKJASA-N 0 0 418.469 1.346 50 0 HDAARN COc1cc2ncn(CC(=O)N[C@H](C(=O)NC(C)C)C(C)C)c(=O)c2cc1OC ZINC000020761043 558411236 /nfs/dbraw/zinc/41/12/36/558411236.db2.gz GZOWGPOXWPFYBV-SFHVURJKSA-N 0 0 404.467 1.079 50 0 biogenic HDAARN Cn1c2ccc(CNC(=O)[C@H]3CCC(=O)N(Cc4ccccn4)C3)cc2n(C)c1=O ZINC000012448088 558415173 /nfs/dbraw/zinc/41/51/73/558415173.db2.gz MWBUSPSGMUJAPE-INIZCTEOSA-N 0 0 407.474 1.327 50 0 HDAARN Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000012466851 558420776 /nfs/dbraw/zinc/42/07/76/558420776.db2.gz UATWHGFIWIEQPA-UHFFFAOYSA-N 0 0 415.523 1.315 50 0 HDAARN O=S1(=O)CC[C@H](N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2)C1 ZINC000020907861 558421423 /nfs/dbraw/zinc/42/14/23/558421423.db2.gz 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O=C(Cn1[n-]c(=O)ccc1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000020994820 558426683 /nfs/dbraw/zinc/42/66/83/558426683.db2.gz SOCCYNCPMPOINK-OAQYLSRUSA-N 0 0 400.454 1.603 50 0 HDAARN COc1ccc(F)c(CN2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1 ZINC000020995865 558426769 /nfs/dbraw/zinc/42/67/69/558426769.db2.gz DHTTXPMFYLASLM-GOSISDBHSA-N 0 0 417.485 1.322 50 0 HDAARN CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nccs1 ZINC000012586996 558434358 /nfs/dbraw/zinc/43/43/58/558434358.db2.gz FMUSDTVHVHVSJQ-INIZCTEOSA-N 0 0 402.520 1.891 50 0 HDAARN CC(=O)NCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(C)cc2)CC1 ZINC000012587707 558434604 /nfs/dbraw/zinc/43/46/04/558434604.db2.gz NIWQSKHYRFHXOV-NRFANRHFSA-N 0 0 414.550 1.450 50 0 HDAARN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br ZINC000010746174 558435793 /nfs/dbraw/zinc/43/57/93/558435793.db2.gz VBAFDZKDQMPOTL-VIFPVBQESA-N 0 0 412.103 1.850 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC(=O)NCC(F)(F)F)cc1 ZINC000021463751 558438853 /nfs/dbraw/zinc/43/88/53/558438853.db2.gz GEFSJZQRSKEQGU-AWEZNQCLSA-N 0 0 422.425 1.760 50 0 HDAARN CCn1c2ccccc2nc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000021592486 558442676 /nfs/dbraw/zinc/44/26/76/558442676.db2.gz LMOMODJYLXULCE-LBPRGKRZSA-N 0 0 403.464 1.160 50 0 HDAARN C[C@H]1Oc2ccc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)cc2NC1=O ZINC000021601244 558443102 /nfs/dbraw/zinc/44/31/02/558443102.db2.gz KJLGDDFDPRZJQI-GFCCVEGCSA-N 0 0 400.435 1.941 50 0 HDAARN CN(CC(=O)NCc1cc(Br)ccc1OC(F)F)S(C)(=O)=O ZINC000072060904 558445486 /nfs/dbraw/zinc/44/54/86/558445486.db2.gz SBOGOWBCUYVVBF-UHFFFAOYSA-N 0 0 401.229 1.558 50 0 HDAARN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000021668734 558445459 /nfs/dbraw/zinc/44/54/59/558445459.db2.gz HKJMJIRQVHMOLT-NSHDSACASA-N 0 0 405.270 1.583 50 0 HDAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc[nH]1 ZINC000021763230 558447887 /nfs/dbraw/zinc/44/78/87/558447887.db2.gz MPCODDKJQUWLCT-UHFFFAOYSA-N 0 0 404.419 1.634 50 0 HDAARN CC1(C)NC(=O)N(CCCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000010781811 558452474 /nfs/dbraw/zinc/45/24/74/558452474.db2.gz YVJBICYZJHTFOA-UHFFFAOYSA-N 0 0 400.479 1.518 50 0 HDAARN O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000021867456 558453071 /nfs/dbraw/zinc/45/30/71/558453071.db2.gz HDIIQOJKKFMZTF-UHFFFAOYSA-N 0 0 409.483 1.409 50 0 HDAARN Cc1ccc(N2C[C@@H](NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000004359991 558457188 /nfs/dbraw/zinc/45/71/88/558457188.db2.gz KGPHXGJFQWJUOM-INIZCTEOSA-N 0 0 416.503 1.290 50 0 HDAARN O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000022095484 558463552 /nfs/dbraw/zinc/46/35/52/558463552.db2.gz JPEVTAXBHFJHTB-UHFFFAOYSA-N 0 0 409.483 1.409 50 0 HDAARN O=C(CNC(=O)c1ccccc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 ZINC000012792545 558466427 /nfs/dbraw/zinc/46/64/27/558466427.db2.gz LPBSMCJEUQZUMJ-UHFFFAOYSA-N 0 0 411.487 1.872 50 0 HDAARN COC(=O)c1ccc(=O)n(CC(=O)Nc2cccc(I)c2)c1 ZINC000012802745 558472213 /nfs/dbraw/zinc/47/22/13/558472213.db2.gz OXOCFFGBSRSXCP-UHFFFAOYSA-N 0 0 412.183 1.878 50 0 HDAARN CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000004373695 558474549 /nfs/dbraw/zinc/47/45/49/558474549.db2.gz WZKLWPXZOZYSPZ-CQSZACIVSA-N 0 0 418.475 1.660 50 0 HDAARN O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000004373776 558474588 /nfs/dbraw/zinc/47/45/88/558474588.db2.gz FQEVPXNFOAJFQT-HNNXBMFYSA-N 0 0 400.410 1.692 50 0 HDAARN NS(=O)(=O)c1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000004373838 558474610 /nfs/dbraw/zinc/47/46/10/558474610.db2.gz UECNNLDFHDCNCK-HNNXBMFYSA-N 0 0 420.466 1.120 50 0 HDAARN COc1ccccc1CCNC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21 ZINC000229966520 558481572 /nfs/dbraw/zinc/48/15/72/558481572.db2.gz YXTQSUPOLUBIBW-VYIWNADRSA-N 0 0 407.463 1.750 50 0 HDAARN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000022358292 558483129 /nfs/dbraw/zinc/48/31/29/558483129.db2.gz 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ZINC000095946687 568664501 /nfs/dbraw/zinc/66/45/01/568664501.db2.gz VNORLGNYDLBMEI-KRWDZBQOSA-N 0 0 406.958 1.975 50 0 HDAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000225722709 568667944 /nfs/dbraw/zinc/66/79/44/568667944.db2.gz HCYNKXMZUWUJIQ-GJZGRUSLSA-N 0 0 401.529 1.412 50 0 HDAARN O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000021116752 568668980 /nfs/dbraw/zinc/66/89/80/568668980.db2.gz GHSUCDQKCDYYRC-UHFFFAOYSA-N 0 0 401.448 1.335 50 0 HDAARN CCCn1c2nc(-c3ccc(O)c(F)c3)n(CCN3CCOCC3)c2c(=O)[nH]c1=O ZINC000095974959 568672309 /nfs/dbraw/zinc/67/23/09/568672309.db2.gz GXNPCIXSCHFOPW-UHFFFAOYSA-N 0 0 417.441 1.140 50 0 HDAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)n1C ZINC000021154276 568673042 /nfs/dbraw/zinc/67/30/42/568673042.db2.gz ZNPMYPLROSGLLX-UHFFFAOYSA-N 0 0 405.520 1.901 50 0 HDAARN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)NCc2ccc(F)cc2)c(C)n1C ZINC000021154324 568673045 /nfs/dbraw/zinc/67/30/45/568673045.db2.gz PPWXFGDJVCSGOR-UHFFFAOYSA-N 0 0 409.483 1.732 50 0 HDAARN CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CCC4(C3)OCCO4)cc(C(C)C)nc21 ZINC000095992275 568677826 /nfs/dbraw/zinc/67/78/26/568677826.db2.gz CHBWFNUYQUTOHA-GFCCVEGCSA-N 0 0 402.451 1.254 50 0 HDAARN CC(=O)Nc1ccc(CC(=O)N2CCN([C@@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000095998244 568679333 /nfs/dbraw/zinc/67/93/33/568679333.db2.gz ASFAYXXBARWHEH-HXUWFJFHSA-N 0 0 400.523 1.731 50 0 HDAARN Cc1cc(NC(=O)COC(=O)C(=O)N2CCC(C)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000225842504 568679721 /nfs/dbraw/zinc/67/97/21/568679721.db2.gz MAXPYLGYOMGZJL-UHFFFAOYSA-N 0 0 414.466 1.328 50 0 HDAARN O=C(c1ccccc1)N1CC(S(=O)(=O)NC2CCN(c3ccccn3)CC2)C1 ZINC000095999943 568680898 /nfs/dbraw/zinc/68/08/98/568680898.db2.gz CTHWYNVZACORSZ-UHFFFAOYSA-N 0 0 400.504 1.494 50 0 HDAARN COc1ccc(-c2nc([C@H]3CN(S(=O)(=O)N4CCCCC4)CCO3)no2)cc1 ZINC000096000541 568681155 /nfs/dbraw/zinc/68/11/55/568681155.db2.gz KWRQEIAPYXTLJY-MRXNPFEDSA-N 0 0 408.480 1.849 50 0 HDAARN O=S(=O)(c1ccccc1)N1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000096011467 568684034 /nfs/dbraw/zinc/68/40/34/568684034.db2.gz SPLZAWXLHCINKT-KRWDZBQOSA-N 0 0 417.535 1.339 50 0 HDAARN CNC(=O)[C@H](C)CN(C)c1nc2ccc(Cl)cc2c(N(C)C[C@@H](C)C(=O)NC)n1 ZINC000096011599 568684328 /nfs/dbraw/zinc/68/43/28/568684328.db2.gz HGEQYTVEDWVAJC-CHWSQXEVSA-N 0 0 420.945 1.920 50 0 HDAARN COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccnc3nc(C)nn32)CC1 ZINC000096012371 568684861 /nfs/dbraw/zinc/68/48/61/568684861.db2.gz QBSJHKABTOEEJW-UHFFFAOYSA-N 0 0 408.462 1.405 50 0 HDAARN O=S(=O)(c1nc[nH]n1)N1CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000096012769 568685067 /nfs/dbraw/zinc/68/50/67/568685067.db2.gz DSCRNUHDBMLWHG-UHFFFAOYSA-N 0 0 416.294 1.266 50 0 HDAARN Cc1cc(OCC(=O)NCCn2nc(-n3cncn3)ccc2=O)cc(C)c1Cl ZINC000096025188 568686281 /nfs/dbraw/zinc/68/62/81/568686281.db2.gz GLWUWFWLPHQAHL-UHFFFAOYSA-N 0 0 402.842 1.289 50 0 HDAARN Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000096025610 568686370 /nfs/dbraw/zinc/68/63/70/568686370.db2.gz ZVVUSJXFDOTNKL-UHFFFAOYSA-N 0 0 423.472 1.770 50 0 HDAARN Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000096099649 568690676 /nfs/dbraw/zinc/69/06/76/568690676.db2.gz OHESCVJYAOIGBE-UHFFFAOYSA-N 0 0 406.493 1.345 50 0 HDAARN Cn1cnnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000096099657 568690759 /nfs/dbraw/zinc/69/07/59/568690759.db2.gz ZXJXSSBPYJUEAU-UHFFFAOYSA-N 0 0 422.891 1.235 50 0 HDAARN CCN1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)c(OC)cc2=O)CC1 ZINC000096101051 568690964 /nfs/dbraw/zinc/69/09/64/568690964.db2.gz LDKPXXPLCYPRSV-OAHLLOKOSA-N 0 0 400.479 1.653 50 0 HDAARN COc1ccc(-c2nn([C@H](C)C(=O)NCCCn3ccnc3)c(=O)cc2OC)cc1 ZINC000096101058 568691130 /nfs/dbraw/zinc/69/11/30/568691130.db2.gz QEGNVDNHAVBXLR-OAHLLOKOSA-N 0 0 411.462 1.892 50 0 HDAARN Cn1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O ZINC000096114357 568694004 /nfs/dbraw/zinc/69/40/04/568694004.db2.gz ZFQWLGRQLCHKOC-KRWDZBQOSA-N 0 0 405.414 1.403 50 0 biogenic HDAARN COC(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000096116550 568696134 /nfs/dbraw/zinc/69/61/34/568696134.db2.gz MHZHJEAOTKFYDD-SFHVURJKSA-N 0 0 415.490 1.731 50 0 biogenic HDAARN Cc1ncn(CC(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c(=O)c1C ZINC000096120140 568699301 /nfs/dbraw/zinc/69/93/01/568699301.db2.gz WFSKREROFXZMBM-MRXNPFEDSA-N 0 0 409.895 1.588 50 0 HDAARN O=C([C@H]1CCCN1c1nc2ccccc2o1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000096122615 568700376 /nfs/dbraw/zinc/70/03/76/568700376.db2.gz MKFOMZBECKDRJG-MRXNPFEDSA-N 0 0 404.492 1.433 50 0 HDAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124072 568700492 /nfs/dbraw/zinc/70/04/92/568700492.db2.gz VXRBRXQURDATOO-OAHLLOKOSA-N 0 0 407.434 1.319 50 0 HDAARN O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000096124302 568700749 /nfs/dbraw/zinc/70/07/49/568700749.db2.gz JTRXWBXWPSPQCP-UHFFFAOYSA-N 0 0 408.447 1.736 50 0 HDAARN Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)CC(=O)N2C)cc1 ZINC000096181269 568702374 /nfs/dbraw/zinc/70/23/74/568702374.db2.gz QUKJRAWSKKWYCI-IEBWSBKVSA-N 0 0 407.536 1.397 50 0 HDAARN COc1cccc(-c2cc(C(=O)N3CCC[C@H](C(=O)N4CCN(C)CC4)C3)no2)c1 ZINC000096210423 568704504 /nfs/dbraw/zinc/70/45/04/568704504.db2.gz QSWNAOMOPRMKPS-KRWDZBQOSA-N 0 0 412.490 1.976 50 0 HDAARN CSCC[C@H](NC(=O)CCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000096231691 568707547 /nfs/dbraw/zinc/70/75/47/568707547.db2.gz QBTDNRGYKQMKKK-AWEZNQCLSA-N 0 0 424.486 1.950 50 0 HDAARN COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4cccs4)ncn3n2)cc1 ZINC000021525902 568709452 /nfs/dbraw/zinc/70/94/52/568709452.db2.gz ZPXHBLDOPQKKLC-UHFFFAOYSA-N 0 0 409.471 1.987 50 0 HDAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000021527023 568709561 /nfs/dbraw/zinc/70/95/61/568709561.db2.gz YSPWIVOCVNVCMS-SFHVURJKSA-N 0 0 421.453 1.679 50 0 HDAARN C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1c1cccc(F)c1 ZINC000021528763 568710080 /nfs/dbraw/zinc/71/00/80/568710080.db2.gz CLALLIBCXAZMQF-HXUWFJFHSA-N 0 0 419.478 1.509 50 0 HDAARN Cc1nnc2ccc(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)nn12 ZINC000021534958 568711777 /nfs/dbraw/zinc/71/17/77/568711777.db2.gz SHSYYMSHZACFRI-UHFFFAOYSA-N 0 0 423.477 1.227 50 0 HDAARN CC1=C(C(=O)NC[C@@H](C)c2ccccc2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021535571 568711927 /nfs/dbraw/zinc/71/19/27/568711927.db2.gz ARHLUDXMGVTNNM-CQSZACIVSA-N 0 0 406.504 1.574 50 0 biogenic HDAARN Cc1ccccc1OC[C@@H](O)Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000000850876 568712145 /nfs/dbraw/zinc/71/21/45/568712145.db2.gz ODMBQAVWRIMLGH-HNNXBMFYSA-N 0 0 413.478 1.162 50 0 HDAARN COc1cc(NC(=O)[C@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc(OC)c1OC ZINC000012414929 568717517 /nfs/dbraw/zinc/71/75/17/568717517.db2.gz PQAGOZGRNNJGSZ-INIZCTEOSA-N 0 0 411.411 1.520 50 0 HDAARN CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CN1CCCCCC1=O ZINC000005781778 568718551 /nfs/dbraw/zinc/71/85/51/568718551.db2.gz JOQVDHUKPCCLKE-UHFFFAOYSA-N 0 0 403.479 1.957 50 0 HDAARN O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1cccs1 ZINC000096307787 568723620 /nfs/dbraw/zinc/72/36/20/568723620.db2.gz MEDJTQCPAXQAOP-UHFFFAOYSA-N 0 0 407.448 1.593 50 0 HDAARN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCOCC1 ZINC000000869218 568725503 /nfs/dbraw/zinc/72/55/03/568725503.db2.gz ZATZPKWMHAVILZ-LJQANCHMSA-N 0 0 404.463 1.800 50 0 HDAARN COCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000096318015 568727056 /nfs/dbraw/zinc/72/70/56/568727056.db2.gz XRAJDFRXVRJDOE-UHFFFAOYSA-N 0 0 401.850 1.877 50 0 HDAARN Cc1ccc2c(c1)c(=O)n(-c1ccccc1Cl)c(=O)n2CC(=O)N1CCOCC1 ZINC000096318269 568727256 /nfs/dbraw/zinc/72/72/56/568727256.db2.gz XNWXTNPUWHVJIU-UHFFFAOYSA-N 0 0 413.861 1.973 50 0 HDAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)[nH]c(=O)c(=O)n3C)no1 ZINC000096320587 568728572 /nfs/dbraw/zinc/72/85/72/568728572.db2.gz DFAHXUAJOKCDSW-OAHLLOKOSA-N 0 0 409.402 1.997 50 0 HDAARN Cc1nn(C)c(C)c1CNC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000021649559 568728759 /nfs/dbraw/zinc/72/87/59/568728759.db2.gz DWITWTDBCXZXEE-UHFFFAOYSA-N 0 0 403.508 1.709 50 0 HDAARN CCc1nc(Cn2c3ccc(S(=O)(=O)NCc4ccc(C)o4)cc3oc2=O)no1 ZINC000096322126 568729738 /nfs/dbraw/zinc/72/97/38/568729738.db2.gz GQHDJROCKCAVDN-UHFFFAOYSA-N 0 0 418.431 1.968 50 0 HDAARN O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)N1CCC(OCc2ccccc2)CC1 ZINC000240668107 568730382 /nfs/dbraw/zinc/73/03/82/568730382.db2.gz HMJNOTZELGFZCD-QGZVFWFLSA-N 0 0 401.550 1.822 50 0 HDAARN Cc1ncc(CN(C)S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)s1 ZINC000241126159 568730700 /nfs/dbraw/zinc/73/07/00/568730700.db2.gz JJXPXLJOSOLNPV-UHFFFAOYSA-N 0 0 423.516 1.526 50 0 HDAARN COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1OC ZINC000096323280 568731656 /nfs/dbraw/zinc/73/16/56/568731656.db2.gz KKESICYKTWBCHI-UHFFFAOYSA-N 0 0 422.507 1.201 50 0 HDAARN CSc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1 ZINC000003666222 568736246 /nfs/dbraw/zinc/73/62/46/568736246.db2.gz VDRHFIMIYFOXKH-UHFFFAOYSA-N 0 0 402.933 1.703 50 0 HDAARN COc1cccc(C(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1OC ZINC000096333027 568736386 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C[C@]1(CSc2ccccc2C(=O)N2CCN(C(=O)C3CC3)CC2)NC(=O)NC1=O ZINC000012773285 568953046 /nfs/dbraw/zinc/95/30/46/568953046.db2.gz PIGTYMOVJUSDAT-HXUWFJFHSA-N 0 0 416.503 1.071 50 0 HDAARN NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000059421071 568953297 /nfs/dbraw/zinc/95/32/97/568953297.db2.gz GBLLTRPVDBUFFG-UHFFFAOYSA-N 0 0 424.408 1.891 50 0 HDAARN COc1ccc(CCNC(=O)CSc2nnc3[nH]c(=O)cc(C)n32)cc1OC ZINC000004249942 568954453 /nfs/dbraw/zinc/95/44/53/568954453.db2.gz WHNJAGZBVQRLRO-UHFFFAOYSA-N 0 0 403.464 1.194 50 0 HDAARN CCOc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1 ZINC000012778805 568956361 /nfs/dbraw/zinc/95/63/61/568956361.db2.gz ZNKBQUARPXHOGX-NRFANRHFSA-N 0 0 420.429 1.711 50 0 HDAARN COc1ccc(C)cc1[C@@H](C)NC(=O)Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000012784795 568959580 /nfs/dbraw/zinc/95/95/80/568959580.db2.gz VKGODIJGCJGHJK-ACJLOTCBSA-N 0 0 405.426 1.653 50 0 HDAARN CCOCCNC(=O)C[C@@]1(C(=O)NCCOCC)CCN(C(=O)OC(C)(C)C)C1 ZINC000084801352 568960221 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COc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)c1 ZINC000049407972 568449243 /nfs/dbraw/zinc/44/92/43/568449243.db2.gz QSDSRGKCMPNOKK-UHFFFAOYSA-N 0 0 416.503 1.974 50 0 HDAARN C=Cc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCOCC4)cn3c2=O)cc1 ZINC000049408093 568449281 /nfs/dbraw/zinc/44/92/81/568449281.db2.gz DBRQFSCNUAUUGI-UHFFFAOYSA-N 0 0 400.460 1.208 50 0 HDAARN O=c1n(Cc2ccc(F)cc2)nc2ccc(S(=O)(=O)N3CCSCC3)cn21 ZINC000049408167 568449339 /nfs/dbraw/zinc/44/93/39/568449339.db2.gz LRZVOMFIZLVASC-UHFFFAOYSA-N 0 0 408.480 1.421 50 0 HDAARN CC(=O)c1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)c1 ZINC000049408885 568449416 /nfs/dbraw/zinc/44/94/16/568449416.db2.gz MZPHIAHDXWLGEY-UHFFFAOYSA-N 0 0 403.460 1.474 50 0 HDAARN Cc1ccc2c(c1)N(C(=O)Cn1cccc(S(=O)(=O)N3CCCC3)c1=O)CCO2 ZINC000049408900 568449420 /nfs/dbraw/zinc/44/94/20/568449420.db2.gz WPXHBKMRJSZWDH-UHFFFAOYSA-N 0 0 417.487 1.367 50 0 HDAARN Cn1cccc(C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1=O ZINC000049487148 568450855 /nfs/dbraw/zinc/45/08/55/568450855.db2.gz CTKGDNULEAUYJN-AWEZNQCLSA-N 0 0 409.533 1.810 50 0 HDAARN COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4cccc(F)c4)n3C2=O)cc1 ZINC000049544565 568451247 /nfs/dbraw/zinc/45/12/47/568451247.db2.gz WSGCBSGTGLGXHC-UHFFFAOYSA-N 0 0 411.393 1.497 50 0 HDAARN O=C(COc1coc(CN2CCOCC2)cc1=O)N1CCN(c2ccccc2)CC1 ZINC000049544805 568451269 /nfs/dbraw/zinc/45/12/69/568451269.db2.gz GSDFDACIJORBEA-UHFFFAOYSA-N 0 0 413.474 1.200 50 0 HDAARN Cn1nnc(-c2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)n1 ZINC000049546063 568451339 /nfs/dbraw/zinc/45/13/39/568451339.db2.gz NFUNSVFXPNWMRA-UHFFFAOYSA-N 0 0 407.409 1.795 50 0 HDAARN CCOC(=O)c1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000049551422 568452043 /nfs/dbraw/zinc/45/20/43/568452043.db2.gz LDCCUGCITIKADK-UHFFFAOYSA-N 0 0 411.462 1.729 50 0 HDAARN COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(OC)cc2)cc1 ZINC000012233972 568454773 /nfs/dbraw/zinc/45/47/73/568454773.db2.gz XTQSLTGCTPRZRV-UHFFFAOYSA-N 0 0 421.457 1.780 50 0 HDAARN O=S(=O)(c1cccs1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 ZINC000021149436 568461900 /nfs/dbraw/zinc/46/19/00/568461900.db2.gz ACSVLQOLKIHUIU-UHFFFAOYSA-N 0 0 424.939 1.884 50 0 HDAARN COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c(OC)c1 ZINC000021156176 568462239 /nfs/dbraw/zinc/46/22/39/568462239.db2.gz VBPVWRBZQHKZKX-SFHVURJKSA-N 0 0 416.478 1.171 50 0 HDAARN O=C(CCn1cnc2ccccc2c1=O)NCC(=O)NCCc1c[nH]c2ccccc12 ZINC000012296739 568462411 /nfs/dbraw/zinc/46/24/11/568462411.db2.gz YDUUNLWGCQGPPW-UHFFFAOYSA-N 0 0 417.469 1.743 50 0 biogenic HDAARN O=C(c1cccc2[nH]ccc21)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012323286 568471348 /nfs/dbraw/zinc/47/13/48/568471348.db2.gz SXMIYCCOCSEBTK-UHFFFAOYSA-N 0 0 411.443 1.851 50 0 HDAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)ccc1Cl ZINC000022014806 568473404 /nfs/dbraw/zinc/47/34/04/568473404.db2.gz NEPOIHOVEVORTF-UHFFFAOYSA-N 0 0 421.862 1.781 50 0 HDAARN CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000024869301 568473772 /nfs/dbraw/zinc/47/37/72/568473772.db2.gz PJPLAZPPEUJDFY-RHSMWYFYSA-N 0 0 421.519 1.645 50 0 HDAARN CCNC(=O)NC(=O)[C@@H](NCc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1 ZINC000024870177 568473788 /nfs/dbraw/zinc/47/37/88/568473788.db2.gz ZFHLOQQVIHZXRG-INIZCTEOSA-N 0 0 424.548 1.675 50 0 HDAARN Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3ccco3)cc21 ZINC000390827486 568490122 /nfs/dbraw/zinc/49/01/22/568490122.db2.gz YMQHLARDIYDVQT-GOSISDBHSA-N 0 0 404.400 1.532 50 0 HDAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(COc2ccccc2)no1 ZINC000604406368 568490823 /nfs/dbraw/zinc/49/08/23/568490823.db2.gz SKSJGVJRDYMHTP-INIZCTEOSA-N 0 0 421.413 1.406 50 0 HDAARN Cc1cc(OC2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)nc(C)n1 ZINC000390828354 568491711 /nfs/dbraw/zinc/49/17/11/568491711.db2.gz QPZKRYBHCRTHRJ-UHFFFAOYSA-N 0 0 418.475 1.770 50 0 HDAARN COc1cc(OC)cc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)c1 ZINC000000812569 568495162 /nfs/dbraw/zinc/49/51/62/568495162.db2.gz DNCOAYCPZMVGIJ-UHFFFAOYSA-N 0 0 403.416 1.939 50 0 HDAARN COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000008273828 568495783 /nfs/dbraw/zinc/49/57/83/568495783.db2.gz HVRLFGCTTSAHHQ-UHFFFAOYSA-N 0 0 416.478 1.737 50 0 HDAARN CCOC(=O)CNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O ZINC000022768040 568499324 /nfs/dbraw/zinc/49/93/24/568499324.db2.gz QKMSZDSJQLHVKN-UHFFFAOYSA-N 0 0 413.409 1.278 50 0 HDAARN Cc1n[nH]cc1CNC(=O)COCc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000032987476 568510583 /nfs/dbraw/zinc/51/05/83/568510583.db2.gz GKQWKZSCPAFHTC-UHFFFAOYSA-N 0 0 400.464 1.963 50 0 HDAARN Cc1nc(C2(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CCCCCC2)no1 ZINC000024689272 568513438 /nfs/dbraw/zinc/51/34/38/568513438.db2.gz QCGMOMWNHKQNSZ-UHFFFAOYSA-N 0 0 419.463 1.436 50 0 HDAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C ZINC000390826993 568591436 /nfs/dbraw/zinc/59/14/36/568591436.db2.gz RUVFKAJCNNNVFU-NSHDSACASA-N 0 0 405.432 1.952 50 0 HDAARN Cc1nc(-n2cccc2)sc1C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000390830477 568592143 /nfs/dbraw/zinc/59/21/43/568592143.db2.gz LIFVCXNFKCQPFH-HNNXBMFYSA-N 0 0 408.549 1.624 50 0 HDAARN CN(C)S(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000020245108 568596149 /nfs/dbraw/zinc/59/61/49/568596149.db2.gz SCESTLZRDFFNON-UHFFFAOYSA-N 0 0 420.510 1.787 50 0 HDAARN CC(=O)Nc1cccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3)c2=O)c1 ZINC000020328924 568599072 /nfs/dbraw/zinc/59/90/72/568599072.db2.gz XSVNQNBDAKYYFB-UHFFFAOYSA-N 0 0 421.392 1.713 50 0 HDAARN O=C(CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NC(=O)NCC(F)(F)F ZINC000095347309 568600023 /nfs/dbraw/zinc/60/00/23/568600023.db2.gz AULFCORVFQXDGZ-UHFFFAOYSA-N 0 0 411.384 1.314 50 0 HDAARN C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000095349879 568600719 /nfs/dbraw/zinc/60/07/19/568600719.db2.gz ROIZCDMFODWKRL-CQSZACIVSA-N 0 0 409.498 1.449 50 0 HDAARN COC(=O)CC[C@@H](NC(=O)N1CCSC[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000080350781 568603666 /nfs/dbraw/zinc/60/36/66/568603666.db2.gz FIFUJIKNRDSXTA-CVEARBPZSA-N 0 0 410.492 1.990 50 0 HDAARN CC[C@H](C(=O)NCCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000020464957 568610078 /nfs/dbraw/zinc/61/00/78/568610078.db2.gz MLBLGXUQVBUGLK-GOSISDBHSA-N 0 0 411.506 1.747 50 0 HDAARN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nnnn2C2CC2)cc1 ZINC000040051918 568613191 /nfs/dbraw/zinc/61/31/91/568613191.db2.gz OBOJIHGTCUKYQB-UHFFFAOYSA-N 0 0 403.402 1.729 50 0 HDAARN CN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020487103 568613383 /nfs/dbraw/zinc/61/33/83/568613383.db2.gz QLKVHVYKYPTJNF-UHFFFAOYSA-N 0 0 421.544 1.939 50 0 HDAARN CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020486992 568613428 /nfs/dbraw/zinc/61/34/28/568613428.db2.gz OKPMBYABUNNBTA-UHFFFAOYSA-N 0 0 407.536 1.964 50 0 HDAARN COc1ccc(-n2ccn(CC(=O)Nc3cc(OC)ccc3OC)c(=O)c2=O)cc1 ZINC000020488948 568613733 /nfs/dbraw/zinc/61/37/33/568613733.db2.gz IRTMAEZJXUCMMX-UHFFFAOYSA-N 0 0 411.414 1.664 50 0 HDAARN CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1C ZINC000095461353 568620693 /nfs/dbraw/zinc/62/06/93/568620693.db2.gz NISMVWMILAXCCA-UHFFFAOYSA-N 0 0 419.507 1.215 50 0 HDAARN Cc1ccc(S(=O)(=O)NC2(CO)CCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000095461954 568621084 /nfs/dbraw/zinc/62/10/84/568621084.db2.gz VSMLKPVQECDCQU-UHFFFAOYSA-N 0 0 402.538 1.363 50 0 HDAARN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@H]1CCC2(C1)OCCO2 ZINC000095464608 568622484 /nfs/dbraw/zinc/62/24/84/568622484.db2.gz TZAQTGYZIYSLMC-ZDUSSCGKSA-N 0 0 413.496 1.753 50 0 HDAARN O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccco1 ZINC000095467468 568624673 /nfs/dbraw/zinc/62/46/73/568624673.db2.gz VKJKETVYLURKIE-LLVKDONJSA-N 0 0 403.416 1.236 50 0 HDAARN C[C@@H]1Cc2cc(S(=O)(=O)NCCC(=O)N3CCCC3)ccc2N1C(=O)C1CC1 ZINC000020529743 568626133 /nfs/dbraw/zinc/62/61/33/568626133.db2.gz OWHLIGOVZSMEKS-CQSZACIVSA-N 0 0 405.520 1.665 50 0 HDAARN COc1ccccc1OCCNC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O ZINC000095472710 568628153 /nfs/dbraw/zinc/62/81/53/568628153.db2.gz VLPPRFWMSLYOTH-UHFFFAOYSA-N 0 0 413.430 1.618 50 0 HDAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095478472 568631728 /nfs/dbraw/zinc/63/17/28/568631728.db2.gz OALDFUYDQMCQQT-GFCCVEGCSA-N 0 0 422.367 1.820 50 0 HDAARN Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000020611049 568636979 /nfs/dbraw/zinc/63/69/79/568636979.db2.gz GVZBCTQZBYHBOZ-XITLKHQFSA-N 0 0 424.501 1.232 50 0 biogenic HDAARN Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000020614198 568637852 /nfs/dbraw/zinc/63/78/52/568637852.db2.gz PNTCXBQFHKETSW-GOSISDBHSA-N 0 0 411.458 1.852 50 0 HDAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)N1CCN(CCO)CC1 ZINC000020759658 568641916 /nfs/dbraw/zinc/64/19/16/568641916.db2.gz ASQYOZUMZFSDTE-UHFFFAOYSA-N 0 0 424.453 1.681 50 0 biogenic HDAARN CCCc1cc(=O)n2nc(N(C)CC(=O)Nc3ccc4c(c3)OCCO4)sc2n1 ZINC000020866020 568646702 /nfs/dbraw/zinc/64/67/02/568646702.db2.gz YKUJGPXYZPUGMI-UHFFFAOYSA-N 0 0 415.475 1.950 50 0 HDAARN CS(=O)(=O)CC[C@H](c1nc(-c2ccccn2)no1)N1C(=O)c2ccccc2C1=O ZINC000225525974 568647375 /nfs/dbraw/zinc/64/73/75/568647375.db2.gz BXXJFYKCAYOECE-OAHLLOKOSA-N 0 0 412.427 1.904 50 0 HDAARN C[C@H](CNC(=O)CCc1nnc2ccc(N3CCN(C)CC3)nn21)c1ccccc1 ZINC000020923590 568651088 /nfs/dbraw/zinc/65/10/88/568651088.db2.gz IUWBRPBCAFJRKL-QGZVFWFLSA-N 0 0 407.522 1.729 50 0 HDAARN Cc1ccccc1C[C@H](C)N(C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000225564142 568651750 /nfs/dbraw/zinc/65/17/50/568651750.db2.gz JDGTXDORCPRNJP-DOTOQJQBSA-N 0 0 405.520 1.550 50 0 HDAARN CC1=C(C(=O)NCc2cccc(Cl)c2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020981008 568654495 /nfs/dbraw/zinc/65/44/95/568654495.db2.gz VQGGBEIGARPKHZ-UHFFFAOYSA-N 0 0 412.895 1.624 50 0 biogenic HDAARN O=C(c1cnc2sc(N3CCCCC3)nn2c1=O)N1CCC2(CC1)OCCO2 ZINC000020987193 568655292 /nfs/dbraw/zinc/65/52/92/568655292.db2.gz QXNAIQJJMYDGCV-UHFFFAOYSA-N 0 0 405.480 1.120 50 0 HDAARN O=C(NCCN1CCOCC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000020991847 568656020 /nfs/dbraw/zinc/65/60/20/568656020.db2.gz AYUNIZJKEXORRP-UHFFFAOYSA-N 0 0 401.536 1.870 50 0 HDAARN CC(=O)Nc1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000020994560 568656514 /nfs/dbraw/zinc/65/65/14/568656514.db2.gz WLIHBQHMOWARPT-UHFFFAOYSA-N 0 0 405.480 1.655 50 0 HDAARN CCOCCCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O ZINC000021022278 568658438 /nfs/dbraw/zinc/65/84/38/568658438.db2.gz CYZYKTCSYWLUMB-IBGZPJMESA-N 0 0 423.535 1.292 50 0 HDAARN COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1OC ZINC000021031232 568659157 /nfs/dbraw/zinc/65/91/57/568659157.db2.gz ZPAOIYFXWNJGGS-UHFFFAOYSA-N 0 0 408.480 1.477 50 0 HDAARN NC(=O)c1noc([C@@H]2CCCN2S(=O)(=O)c2c(F)cccc2Br)n1 ZINC000225658095 568660894 /nfs/dbraw/zinc/66/08/94/568660894.db2.gz WRFRXVPTLUNUMA-VIFPVBQESA-N 0 0 419.232 1.596 50 0 HDAARN Cc1nc2ccccc2n(CCNS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1=O ZINC000095943751 568662890 /nfs/dbraw/zinc/66/28/90/568662890.db2.gz IYKUHKWGJOLVJP-UHFFFAOYSA-N 0 0 423.498 1.928 50 0 HDAARN Cn1cc(S(=O)(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc1C(N)=O ZINC000095946297 568663744 /nfs/dbraw/zinc/66/37/44/568663744.db2.gz QGCGBTWBJPBGGD-UHFFFAOYSA-N 0 0 402.354 1.290 50 0 HDAARN Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4n[nH]c5ccccc54)CC3)C2=O)cn1 ZINC000095961349 568670234 /nfs/dbraw/zinc/67/02/34/568670234.db2.gz GVUZXTNZQAHQMU-SFHVURJKSA-N 0 0 407.478 1.250 50 0 HDAARN COc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)n3)CC2)c(OC)c1OC ZINC000095978965 568674242 /nfs/dbraw/zinc/67/42/42/568674242.db2.gz KBMDCDXVIQWOJB-UHFFFAOYSA-N 0 0 403.410 1.845 50 0 HDAARN CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000095983112 568675535 /nfs/dbraw/zinc/67/55/35/568675535.db2.gz WPHMWXSBNUWFOV-ZBFHGGJFSA-N 0 0 411.503 1.323 50 0 HDAARN C[C@H](O)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000096003342 568681887 /nfs/dbraw/zinc/68/18/87/568681887.db2.gz FVSXKGKUTKACHO-RYUDHWBXSA-N 0 0 410.414 1.483 50 0 HDAARN COc1ccc(CN(CCO)C(=O)c2ccc(OC)c(-n3cnnn3)c2)c(OC)c1 ZINC000096006277 568682657 /nfs/dbraw/zinc/68/26/57/568682657.db2.gz SKTQHNKMNAWKBB-UHFFFAOYSA-N 0 0 413.434 1.323 50 0 HDAARN O=C(N[C@@H]1CCCC2(C1)OCCO2)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000096006965 568683212 /nfs/dbraw/zinc/68/32/12/568683212.db2.gz WRAACKZAGCQIIN-LSDHHAIUSA-N 0 0 402.447 1.613 50 0 HDAARN O=C(N[C@@H]1CCCC2(C1)OCCO2)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000096006964 568683253 /nfs/dbraw/zinc/68/32/53/568683253.db2.gz WRAACKZAGCQIIN-HUUCEWRRSA-N 0 0 402.447 1.613 50 0 HDAARN Cc1nnc(CN2CCN(C(=O)[C@]3(C)CCCCN3C(=O)c3ccccc3)CC2)[nH]1 ZINC000096007120 568683269 /nfs/dbraw/zinc/68/32/69/568683269.db2.gz WVAWITCVXJEMIH-QFIPXVFZSA-N 0 0 410.522 1.842 50 0 HDAARN Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000096025871 568686418 /nfs/dbraw/zinc/68/64/18/568686418.db2.gz OEGXXQQGMJRGSE-UHFFFAOYSA-N 0 0 422.532 1.612 50 0 HDAARN Cc1nnsc1C(=O)N1CCC(CNS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000096025873 568686504 /nfs/dbraw/zinc/68/65/04/568686504.db2.gz ZBMFZANZAMTGOK-UHFFFAOYSA-N 0 0 412.541 1.028 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CCNC(=O)c2cc3ccc(OC)cc3[nH]2)CC1 ZINC000012389167 568686841 /nfs/dbraw/zinc/68/68/41/568686841.db2.gz NEBGOLBDNKKXRT-UHFFFAOYSA-N 0 0 402.451 1.597 50 0 HDAARN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCNC(=O)/C=C\c1ccco1)CC2 ZINC000096035190 568687036 /nfs/dbraw/zinc/68/70/36/568687036.db2.gz IFMPXFXDTWGHRM-VURMDHGXSA-N 0 0 417.487 1.687 50 0 HDAARN COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000096099633 568690813 /nfs/dbraw/zinc/69/08/13/568690813.db2.gz SOZKZIVWNLGDHC-UHFFFAOYSA-N 0 0 414.505 1.927 50 0 HDAARN COc1ccc(-c2nn(CCCC(=O)N3CCN(C)CC3)c(=O)cc2OC)cc1 ZINC000096100915 568691038 /nfs/dbraw/zinc/69/10/38/568691038.db2.gz VNIARCYRJJUNMB-UHFFFAOYSA-N 0 0 400.479 1.482 50 0 HDAARN Cn1nnnc1COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000096101291 568691344 /nfs/dbraw/zinc/69/13/44/568691344.db2.gz KELSXKHXOOSHLM-UHFFFAOYSA-N 0 0 414.510 1.554 50 0 HDAARN CCOC(=O)N1CCc2nn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)cc2C1 ZINC000096105718 568693119 /nfs/dbraw/zinc/69/31/19/568693119.db2.gz UZLIRWVAPLAPRT-INIZCTEOSA-N 0 0 412.490 1.895 50 0 HDAARN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096113818 568693375 /nfs/dbraw/zinc/69/33/75/568693375.db2.gz FACIGONAMCBHII-CABCVRRESA-N 0 0 408.433 1.652 50 0 biogenic HDAARN NS(=O)(=O)c1ccc(CNC(=O)CS[C@@H]2CCc3ccccc3NC2=O)cc1 ZINC000012391677 568696155 /nfs/dbraw/zinc/69/61/55/568696155.db2.gz CXZROLZISPKUBL-QGZVFWFLSA-N 0 0 419.528 1.637 50 0 HDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]12 ZINC000226649547 568696921 /nfs/dbraw/zinc/69/69/21/568696921.db2.gz MEVYGRCLEKIXBW-WOYCLPQFSA-N 0 0 413.382 1.155 50 0 HDAARN COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1Cl ZINC000096122137 568700094 /nfs/dbraw/zinc/70/00/94/568700094.db2.gz NLEQIABUPIPDNE-UHFFFAOYSA-N 0 0 405.881 1.930 50 0 HDAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124073 568700464 /nfs/dbraw/zinc/70/04/64/568700464.db2.gz VXRBRXQURDATOO-HNNXBMFYSA-N 0 0 407.434 1.319 50 0 HDAARN Cn1c(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 ZINC000096222617 568705693 /nfs/dbraw/zinc/70/56/93/568705693.db2.gz GKPAVBSTXNCSJC-KRWDZBQOSA-N 0 0 405.458 1.763 50 0 biogenic HDAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000096223537 568706268 /nfs/dbraw/zinc/70/62/68/568706268.db2.gz LIMYPWUQIVJJHK-SFHVURJKSA-N 0 0 412.475 1.636 50 0 HDAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CCc2nnc3ccccn3c2=O)CC1 ZINC000096224178 568706546 /nfs/dbraw/zinc/70/65/46/568706546.db2.gz QRDWXABDELYCST-UHFFFAOYSA-N 0 0 401.467 1.538 50 0 HDAARN COc1ccc(C2(CNC(=O)CCc3nnc4ccccn4c3=O)CCOCC2)cc1 ZINC000096231686 568707474 /nfs/dbraw/zinc/70/74/74/568707474.db2.gz GGHMALCAYGVCQP-UHFFFAOYSA-N 0 0 422.485 1.895 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1 ZINC000096232013 568707741 /nfs/dbraw/zinc/70/77/41/568707741.db2.gz PWNILYULYDEBPJ-SFHVURJKSA-N 0 0 421.457 1.672 50 0 HDAARN O=C(NCCc1ccccc1)c1ccc(CN2CC(=O)N3CSC[C@H]3C2=O)cc1 ZINC000021530065 568710379 /nfs/dbraw/zinc/71/03/79/568710379.db2.gz IWNMVBLEBNTJNK-IBGZPJMESA-N 0 0 409.511 1.903 50 0 HDAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCCC(C)C)N(C)C3=O)o1 ZINC000021530982 568710735 /nfs/dbraw/zinc/71/07/35/568710735.db2.gz QZVDPLCUDXUUPL-NRFANRHFSA-N 0 0 415.494 1.721 50 0 HDAARN CCOC(=O)Cc1csc(SCC(=O)NN2C(=O)N[C@](C)(CC)C2=O)n1 ZINC000018526623 568710783 /nfs/dbraw/zinc/71/07/83/568710783.db2.gz WGHCCYDPLSGQNF-OAHLLOKOSA-N 0 0 400.482 1.093 50 0 HDAARN O=S(=O)(NCCNS(=O)(=O)c1cccc2nsnc21)c1cccs1 ZINC000012406845 568711624 /nfs/dbraw/zinc/71/16/24/568711624.db2.gz GLDLADAARTUQFC-UHFFFAOYSA-N 0 0 404.520 1.010 50 0 HDAARN CCOc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCN(S(C)(=O)=O)CC3)cc1 ZINC000021535585 568711940 /nfs/dbraw/zinc/71/19/40/568711940.db2.gz KJCOQLUPZIFQRB-UHFFFAOYSA-N 0 0 422.503 1.369 50 0 biogenic HDAARN CCN1CCN(C(=O)CCc2nnc3c(=O)n(-c4cc(C)cc(C)c4)ccn23)CC1 ZINC000021540493 568713692 /nfs/dbraw/zinc/71/36/92/568713692.db2.gz CXCSORGDRONXHP-UHFFFAOYSA-N 0 0 408.506 1.594 50 0 HDAARN CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NC1CC1 ZINC000021636066 568725477 /nfs/dbraw/zinc/72/54/77/568725477.db2.gz RHJJLNBHXJYMGO-SFHVURJKSA-N 0 0 405.520 1.808 50 0 HDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2C ZINC000012445083 568726149 /nfs/dbraw/zinc/72/61/49/568726149.db2.gz BDDNSAWYSLBZKL-UHFFFAOYSA-N 0 0 424.457 1.754 50 0 HDAARN COc1ccc(C)cc1NC(=O)N1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000096321704 568729387 /nfs/dbraw/zinc/72/93/87/568729387.db2.gz RQVURJVOHGCSTI-UHFFFAOYSA-N 0 0 408.462 2.000 50 0 HDAARN C[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@@H]2C)Cc2cccnc2)[C@H](C)CO1 ZINC000241326141 568731081 /nfs/dbraw/zinc/73/10/81/568731081.db2.gz LZNMGBAEWSRIJA-QGFMHUBQSA-N 0 0 418.538 1.155 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000096323263 568731666 /nfs/dbraw/zinc/73/16/66/568731666.db2.gz BSAWYOPOTPWNOG-MRXNPFEDSA-N 0 0 406.508 1.337 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000096323249 568731679 /nfs/dbraw/zinc/73/16/79/568731679.db2.gz MCVBJZHQVUWYTQ-UHFFFAOYSA-N 0 0 405.524 1.250 50 0 HDAARN COc1ccc(OC)c(CN2CCN(C(=O)c3ccc4n[nH]c(=S)n4c3)CC2)c1 ZINC000241810044 568731738 /nfs/dbraw/zinc/73/17/38/568731738.db2.gz SCQLRFYEBVUPGI-UHFFFAOYSA-N 0 0 413.503 1.993 50 0 HDAARN CCn1c(-c2ccccc2F)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000242302367 568732595 /nfs/dbraw/zinc/73/25/95/568732595.db2.gz YRXSNKHAJNUIIZ-UHFFFAOYSA-N 0 0 420.470 1.744 50 0 HDAARN CCn1c(=O)c(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)nc2cccnc21 ZINC000096332969 568736424 /nfs/dbraw/zinc/73/64/24/568736424.db2.gz GWXMFPIAAAQYNP-UHFFFAOYSA-N 0 0 423.473 1.791 50 0 HDAARN CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000021682229 568738147 /nfs/dbraw/zinc/73/81/47/568738147.db2.gz FKDJNNSKPZRSQY-UHFFFAOYSA-N 0 0 405.476 1.752 50 0 HDAARN CCC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC000021682402 568738204 /nfs/dbraw/zinc/73/82/04/568738204.db2.gz YIYVXSMDRILXII-UHFFFAOYSA-N 0 0 423.466 1.891 50 0 HDAARN CN1CCc2cc([C@@H](O)CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000096362567 568739277 /nfs/dbraw/zinc/73/92/77/568739277.db2.gz ZCPLXAZKLDROFN-FQEVSTJZSA-N 0 0 402.516 1.865 50 0 HDAARN O=C(CCc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)N1CCCC1 ZINC000021702899 568741940 /nfs/dbraw/zinc/74/19/40/568741940.db2.gz ZULCLZGDMIDZKT-UHFFFAOYSA-N 0 0 420.491 1.313 50 0 HDAARN Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc4c(=O)[nH]nc(C)n4c3)CC2)c1 ZINC000096397822 568746281 /nfs/dbraw/zinc/74/62/81/568746281.db2.gz DPSKHDXDVLUVCE-UHFFFAOYSA-N 0 0 401.492 1.871 50 0 HDAARN CCc1n[nH]c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)cn21 ZINC000096397828 568746344 /nfs/dbraw/zinc/74/63/44/568746344.db2.gz HBBJQQXRYUYELP-UHFFFAOYSA-N 0 0 417.491 1.517 50 0 HDAARN CCC(=O)NCc1nc2c(n1CC)CN(S(=O)(=O)c1cc(F)ccc1F)CC2 ZINC000096398541 568747307 /nfs/dbraw/zinc/74/73/07/568747307.db2.gz NFQMBVONHNFNKO-UHFFFAOYSA-N 0 0 412.462 1.954 50 0 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/nfs/dbraw/zinc/80/86/76/558808676.db2.gz OERMFJMRHUQXTI-UHFFFAOYSA-N 0 0 421.548 1.472 50 0 HDAARN COc1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000022971583 558809788 /nfs/dbraw/zinc/80/97/88/558809788.db2.gz UQOSRCZGFREDTM-UHFFFAOYSA-N 0 0 422.503 1.958 50 0 HDAARN Cc1cc(C)n(-c2ccc(CNC(=O)CCn3nnc4ccccc4c3=O)cn2)n1 ZINC000046311939 558810828 /nfs/dbraw/zinc/81/08/28/558810828.db2.gz CSERGVGVJMRSIW-UHFFFAOYSA-N 0 0 403.446 1.696 50 0 HDAARN Cn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000017088316 558817174 /nfs/dbraw/zinc/81/71/74/558817174.db2.gz UNSOBHFMQHEBAQ-CYBMUJFWSA-N 0 0 409.537 1.685 50 0 HDAARN C[C@@H]1CN(CC(=O)NC[C@@H](c2cccnc2)N2CCOCC2)Cc2ccccc2O1 ZINC000039500692 558821642 /nfs/dbraw/zinc/82/16/42/558821642.db2.gz NMSVSULXQVDDIK-NQIIRXRSSA-N 0 0 410.518 1.854 50 0 HDAARN CCCc1cc(C(=O)Nc2ccc(CS(=O)(=O)N3CCOCC3)cc2)n(C)n1 ZINC000017197627 558825560 /nfs/dbraw/zinc/82/55/60/558825560.db2.gz YIBSWNALSOLWQT-UHFFFAOYSA-N 0 0 406.508 1.787 50 0 HDAARN COc1ccc(NC(=O)C2CCN(c3c(C)n(C)c(=O)n(C)c3=O)CC2)cc1Cl ZINC000032999320 558826140 /nfs/dbraw/zinc/82/61/40/558826140.db2.gz NQWRPIMSKUKLPY-UHFFFAOYSA-N 0 0 420.897 1.910 50 0 HDAARN COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N(C)C ZINC000032999918 558826228 /nfs/dbraw/zinc/82/62/28/558826228.db2.gz RKDRZJPAWZCWPS-UHFFFAOYSA-N 0 0 421.475 1.137 50 0 HDAARN Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000032999717 558826234 /nfs/dbraw/zinc/82/62/34/558826234.db2.gz HHIGUMWLDMLFTD-UHFFFAOYSA-N 0 0 417.531 1.740 50 0 HDAARN COc1ccc(CNC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc1OC ZINC000033010003 558829511 /nfs/dbraw/zinc/82/95/11/558829511.db2.gz MFWSOAYGXFURAQ-UHFFFAOYSA-N 0 0 410.478 1.983 50 0 HDAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1 ZINC000033011489 558830753 /nfs/dbraw/zinc/83/07/53/558830753.db2.gz IFKMQDFCNGRVBD-AWEZNQCLSA-N 0 0 403.402 1.879 50 0 HDAARN Cn1ncc(Br)c1C(=O)NC(=S)N1CCN(c2ccccn2)CC1 ZINC000018166943 558832537 /nfs/dbraw/zinc/83/25/37/558832537.db2.gz UZMLYSNWSBRELZ-UHFFFAOYSA-N 0 0 409.313 1.415 50 0 HDAARN CCOC(=O)c1ccc(N2C(=O)C=C(N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000018181959 558832912 /nfs/dbraw/zinc/83/29/12/558832912.db2.gz VPOWATLDBYHVHI-UHFFFAOYSA-N 0 0 406.442 1.838 50 0 HDAARN CCOc1cc2[nH]c(=O)n(CCCC(=O)NCCCOC)c(=O)c2cc1OCC ZINC000004598121 558833976 /nfs/dbraw/zinc/83/39/76/558833976.db2.gz ATEWCPCFAXZARA-UHFFFAOYSA-N 0 0 407.467 1.420 50 0 HDAARN O=C(NCc1cccnc1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004598372 558834444 /nfs/dbraw/zinc/83/44/44/558834444.db2.gz DFAVFIYIQYBIOY-HOTGVXAUSA-N 0 0 402.501 1.692 50 0 HDAARN CC[C@H](C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccco3)ccc21 ZINC000033023758 558840611 /nfs/dbraw/zinc/84/06/11/558840611.db2.gz XXQPYJZTXFGMHT-ZDUSSCGKSA-N 0 0 405.480 1.932 50 0 HDAARN CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)nn1 ZINC000019112307 558841762 /nfs/dbraw/zinc/84/17/62/558841762.db2.gz MZACCCXDXVUMPW-UHFFFAOYSA-N 0 0 405.890 1.157 50 0 HDAARN Cc1nn(C)cc1-c1ccnc(N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1 ZINC000048081043 558843034 /nfs/dbraw/zinc/84/30/34/558843034.db2.gz OHUBBPGARPZNNX-UHFFFAOYSA-N 0 0 406.446 1.763 50 0 HDAARN CC[C@@]1(N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292108 558846822 /nfs/dbraw/zinc/84/68/22/558846822.db2.gz JUOMSRKXSFIHBA-GOSISDBHSA-N 0 0 416.494 1.465 50 0 HDAARN COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc(OC)c1 ZINC000033026911 558848030 /nfs/dbraw/zinc/84/80/30/558848030.db2.gz SXWWTGDNGKSAFH-UHFFFAOYSA-N 0 0 422.507 1.785 50 0 HDAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000033029020 558852210 /nfs/dbraw/zinc/85/22/10/558852210.db2.gz COYWFFXAXCZLRF-MOPGFXCFSA-N 0 0 408.458 1.648 50 0 HDAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000033029019 558852219 /nfs/dbraw/zinc/85/22/19/558852219.db2.gz COYWFFXAXCZLRF-RTBURBONSA-N 0 0 408.458 1.648 50 0 HDAARN CS(=O)(=O)CCOc1cccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)c1 ZINC000060341198 558856595 /nfs/dbraw/zinc/85/65/95/558856595.db2.gz NZOUCNJOUWLPEY-UHFFFAOYSA-N 0 0 401.448 1.267 50 0 HDAARN CCOC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CO)cc(=O)c1O ZINC000072324547 558861283 /nfs/dbraw/zinc/86/12/83/558861283.db2.gz INCQSXHOCWZSIU-CYBMUJFWSA-N 0 0 406.387 1.703 50 0 biogenic HDAARN CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000022186662 558864108 /nfs/dbraw/zinc/86/41/08/558864108.db2.gz QUHLNZMYEQTAOB-UHFFFAOYSA-N 0 0 404.330 1.794 50 0 HDAARN O=C(c1ccccc1)N1CCC[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000060357912 558869217 /nfs/dbraw/zinc/86/92/17/558869217.db2.gz ZSMGNEJFSWILHX-INIZCTEOSA-N 0 0 412.475 1.245 50 0 HDAARN COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)cc1 ZINC000055036772 558870113 /nfs/dbraw/zinc/87/01/13/558870113.db2.gz FPISYPNHGNSRCM-KRWDZBQOSA-N 0 0 401.488 1.542 50 0 HDAARN CCOC[C@@H](O)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000055042241 558870643 /nfs/dbraw/zinc/87/06/43/558870643.db2.gz MBOITKOVMRCOFG-HNNXBMFYSA-N 0 0 406.458 1.263 50 0 HDAARN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCc1ccccn1 ZINC000055182824 558875259 /nfs/dbraw/zinc/87/52/59/558875259.db2.gz VKCHXCUFZBVJFQ-SFHVURJKSA-N 0 0 404.873 1.924 50 0 HDAARN COCCn1cnnc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2OC)no1 ZINC000055225769 558876849 /nfs/dbraw/zinc/87/68/49/558876849.db2.gz NSDBOHAXTBMYTK-CYBMUJFWSA-N 0 0 400.439 1.793 50 0 HDAARN Cc1nnc2ccc(OCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)nn12 ZINC000013846236 558886290 /nfs/dbraw/zinc/88/62/90/558886290.db2.gz QTGHEYCNMLJXRQ-UHFFFAOYSA-N 0 0 417.369 1.689 50 0 HDAARN CSCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NCc1cscn1 ZINC000033139002 558888987 /nfs/dbraw/zinc/88/89/87/558888987.db2.gz CLFULVMGOXBZDK-AWEZNQCLSA-N 0 0 403.526 1.999 50 0 HDAARN Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000057996399 558893671 /nfs/dbraw/zinc/89/36/71/558893671.db2.gz FUDIMPDVIKISAH-LBPRGKRZSA-N 0 0 402.432 1.029 50 0 HDAARN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(CS(N)(=O)=O)cc3)cn2)CCO1 ZINC000058004242 558894193 /nfs/dbraw/zinc/89/41/93/558894193.db2.gz RYHIDDLZQSPLDT-AWEZNQCLSA-N 0 0 404.492 1.025 50 0 HDAARN CCCc1ccc([C@@H](C)N(CC(N)=O)S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000058016601 558895600 /nfs/dbraw/zinc/89/56/00/558895600.db2.gz NFSZIWBRNMUOGF-CYBMUJFWSA-N 0 0 406.508 1.314 50 0 HDAARN O=C(CNC(=O)c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000011154022 558896961 /nfs/dbraw/zinc/89/69/61/558896961.db2.gz KOEKAALZXZRSJN-UHFFFAOYSA-N 0 0 401.488 1.386 50 0 HDAARN C[C@H]1CN(CCNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)C[C@H](C)O1 ZINC000058112651 558899758 /nfs/dbraw/zinc/89/97/58/558899758.db2.gz XCGKXIXSEYPLPZ-KBPBESRZSA-N 0 0 422.913 1.631 50 0 HDAARN CCOC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1 ZINC000058129872 558900342 /nfs/dbraw/zinc/90/03/42/558900342.db2.gz YSDQCDABFJFQBS-UHFFFAOYSA-N 0 0 423.535 1.147 50 0 HDAARN CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000058135504 558900796 /nfs/dbraw/zinc/90/07/96/558900796.db2.gz YSLFRHSPNGGJAG-UHFFFAOYSA-N 0 0 424.501 1.589 50 0 HDAARN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(N3CCCCC3)c2)C1 ZINC000058157990 558903592 /nfs/dbraw/zinc/90/35/92/558903592.db2.gz BDCCYRRJLBTLFN-QGZVFWFLSA-N 0 0 410.540 1.681 50 0 HDAARN O=C(CCNC(=O)Nc1cccnc1Oc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000058210507 558912186 /nfs/dbraw/zinc/91/21/86/558912186.db2.gz GPWNFTWKWMYZOG-CQSZACIVSA-N 0 0 418.475 1.689 50 0 HDAARN COc1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1N1CCCC1=O ZINC000058224778 558913383 /nfs/dbraw/zinc/91/33/83/558913383.db2.gz XBMISJSTCCMVQM-CQSZACIVSA-N 0 0 410.496 1.368 50 0 HDAARN O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(N2CCNC2=O)c1 ZINC000058281135 558916431 /nfs/dbraw/zinc/91/64/31/558916431.db2.gz JCOKHMJPOOPILD-MAUKXSAKSA-N 0 0 403.483 1.075 50 0 HDAARN Cc1ccc([C@H](C)NC(=O)COC(=O)CNc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000058356479 558921315 /nfs/dbraw/zinc/92/13/15/558921315.db2.gz PUXRZXZEWRTQBN-HNNXBMFYSA-N 0 0 419.503 1.783 50 0 HDAARN COc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000072117370 558927274 /nfs/dbraw/zinc/92/72/74/558927274.db2.gz CUFYNXKTPVWACO-UHFFFAOYSA-N 0 0 401.554 1.422 50 0 HDAARN CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)nnn3CCOC)C1 ZINC000033262844 558931597 /nfs/dbraw/zinc/93/15/97/558931597.db2.gz YYGMOKYWMPOGGT-OAHLLOKOSA-N 0 0 423.539 1.395 50 0 HDAARN O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000059041503 558931684 /nfs/dbraw/zinc/93/16/84/558931684.db2.gz IISSJIGRFWIERL-SFHVURJKSA-N 0 0 412.490 1.262 50 0 HDAARN CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262254 558932570 /nfs/dbraw/zinc/93/25/70/558932570.db2.gz QJIRKQASSGAJRC-HNNXBMFYSA-N 0 0 421.523 1.235 50 0 HDAARN O=C(COc1coc(CN2CCOCC2)cc1=O)c1ccc2c(c1)OCCCO2 ZINC000072401134 558935460 /nfs/dbraw/zinc/93/54/60/558935460.db2.gz KWHCDQJNNJYCPK-UHFFFAOYSA-N 0 0 401.415 1.895 50 0 HDAARN O=C(CNC(=O)N1CCN(c2nsc3ccccc32)CC1)N1CCSCC1 ZINC000072402054 558936829 /nfs/dbraw/zinc/93/68/29/558936829.db2.gz WHGBRNDUUHBUSH-UHFFFAOYSA-N 0 0 405.549 1.703 50 0 HDAARN 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50 0 HDAARN Cc1c(C(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cnn1-c1ccccc1 ZINC000096104215 568692050 /nfs/dbraw/zinc/69/20/50/568692050.db2.gz JUAIYUAMGQSPQG-UHFFFAOYSA-N 0 0 414.491 1.388 50 0 HDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2ccccc2c1=O ZINC000096116520 568696089 /nfs/dbraw/zinc/69/60/89/568696089.db2.gz JGXAETWNMNZKCD-SFHVURJKSA-N 0 0 419.441 1.044 50 0 biogenic HDAARN O=C(CN1c2cccnc2Oc2ccccc2C1=O)N1CCN(c2ncccn2)CC1 ZINC000096118890 568698560 /nfs/dbraw/zinc/69/85/60/568698560.db2.gz MKJITUILSGADEV-UHFFFAOYSA-N 0 0 416.441 1.973 50 0 HDAARN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000024980432 568699111 /nfs/dbraw/zinc/69/91/11/568699111.db2.gz DDCLBBVGWIIYHU-LLVKDONJSA-N 0 0 406.464 1.740 50 0 HDAARN O=C(C1CCN(c2ccc(-n3cncn3)nn2)CC1)N1CCN(c2ccccn2)CC1 ZINC000096124176 568700870 /nfs/dbraw/zinc/70/08/70/568700870.db2.gz ULIKIDIADPTBRU-UHFFFAOYSA-N 0 0 419.493 1.018 50 0 HDAARN COc1ccc(OC)c([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CCN(C)CC2)c1 ZINC000096211843 568704583 /nfs/dbraw/zinc/70/45/83/568704583.db2.gz DLNNZMOMKRBIHR-RBUKOAKNSA-N 0 0 403.523 1.676 50 0 HDAARN CCC(=O)N1C[C@@H](C(=O)NCCCOC)[C@@H](c2cc(OC)c(OC)c(OC)c2)C1 ZINC000096211387 568704707 /nfs/dbraw/zinc/70/47/07/568704707.db2.gz BUDMFLQDHLKPSN-HZPDHXFCSA-N 0 0 408.495 1.817 50 0 HDAARN COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000096220877 568704863 /nfs/dbraw/zinc/70/48/63/568704863.db2.gz ANZXZVSCQLXAQL-KRWDZBQOSA-N 0 0 411.458 1.873 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCC1CCOCC1 ZINC000096221861 568705464 /nfs/dbraw/zinc/70/54/64/568705464.db2.gz CCYDNMVJVOXDFC-IBGZPJMESA-N 0 0 412.490 1.954 50 0 biogenic HDAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1nnc3ccccn31)C=C2 ZINC000096223718 568706391 /nfs/dbraw/zinc/70/63/91/568706391.db2.gz HIABYPWPUMNCJT-UHFFFAOYSA-N 0 0 421.457 1.461 50 0 HDAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc(-n3cnnn3)cc2)CC1=O ZINC000096232578 568708275 /nfs/dbraw/zinc/70/82/75/568708275.db2.gz MOKITSSIGACJJT-MRXNPFEDSA-N 0 0 406.446 1.701 50 0 HDAARN CN(CC(=O)NCC1CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000096236576 568708569 /nfs/dbraw/zinc/70/85/69/568708569.db2.gz PBAVRASDSZHYNQ-UHFFFAOYSA-N 0 0 409.490 1.527 50 0 HDAARN CCOC(=O)N1CCC(Nc2c(=O)c(=O)c2N2CCN(C3CCCCC3)CC2)CC1 ZINC000021522417 568708579 /nfs/dbraw/zinc/70/85/79/568708579.db2.gz HIBWJWKVWANYQE-UHFFFAOYSA-N 0 0 418.538 1.770 50 0 HDAARN O=C(NCc1cccs1)c1ccc(CN2CC(=O)N3CSC[C@@H]3C2=O)cc1 ZINC000021530092 568710236 /nfs/dbraw/zinc/71/02/36/568710236.db2.gz LVNRPLBHAODDHF-MRXNPFEDSA-N 0 0 401.513 1.922 50 0 HDAARN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000021530298 568710534 /nfs/dbraw/zinc/71/05/34/568710534.db2.gz BDVGMITVMTUJPW-NSHDSACASA-N 0 0 407.473 1.397 50 0 HDAARN O=C(Cc1c[nH]c2ccccc12)NCCNS(=O)(=O)c1cccc2nsnc21 ZINC000012406833 568711565 /nfs/dbraw/zinc/71/15/65/568711565.db2.gz ZRNQSJLUTJKEJA-UHFFFAOYSA-N 0 0 415.500 1.810 50 0 HDAARN COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000012406735 568711676 /nfs/dbraw/zinc/71/16/76/568711676.db2.gz ZJUQDCGINAHHGZ-UHFFFAOYSA-N 0 0 402.432 1.378 50 0 HDAARN COCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[nH]n21 ZINC000021537454 568712782 /nfs/dbraw/zinc/71/27/82/568712782.db2.gz XOLNICBYRGAGFS-UHFFFAOYSA-N 0 0 403.464 1.338 50 0 HDAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCC[NH+]1CCCCC1)c2=O ZINC000012415894 568717968 /nfs/dbraw/zinc/71/79/68/568717968.db2.gz VYADFDGTAOKZEQ-UHFFFAOYSA-N 0 0 418.519 1.464 50 0 HDAARN Cc1cccc(NC(=O)CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)c1C ZINC000012444075 568725257 /nfs/dbraw/zinc/72/52/57/568725257.db2.gz NKNZRGFBNXZUOP-UHFFFAOYSA-N 0 0 401.448 1.510 50 0 HDAARN COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(Cl)cc1)c(=O)n2C ZINC000012445493 568726300 /nfs/dbraw/zinc/72/63/00/568726300.db2.gz UKRXUSSADUHVSY-UHFFFAOYSA-N 0 0 416.821 1.482 50 0 HDAARN Cc1ccc2c(c1)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)N1CCOCC1 ZINC000096318095 568727177 /nfs/dbraw/zinc/72/71/77/568727177.db2.gz SJOVIUHUGBYOSX-UHFFFAOYSA-N 0 0 407.470 1.936 50 0 HDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000239046651 568727894 /nfs/dbraw/zinc/72/78/94/568727894.db2.gz FVMVBNZVDHMILW-QZNHQWIBSA-N 0 0 405.790 1.605 50 0 HDAARN Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NC[C@H]2COCCO2)c2ccccc21 ZINC000021645625 568728102 /nfs/dbraw/zinc/72/81/02/568728102.db2.gz WBLIWQSFRUKIDQ-HNNXBMFYSA-N 0 0 423.473 1.310 50 0 HDAARN Cc1c(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000239203484 568728383 /nfs/dbraw/zinc/72/83/83/568728383.db2.gz SLKBUXDMUWFXNV-USXIJHARSA-N 0 0 410.474 1.987 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000096323264 568731634 /nfs/dbraw/zinc/73/16/34/568731634.db2.gz BSAWYOPOTPWNOG-INIZCTEOSA-N 0 0 406.508 1.337 50 0 HDAARN CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)c1C ZINC000096323313 568731640 /nfs/dbraw/zinc/73/16/40/568731640.db2.gz UFVDWJJWCDKKPY-UHFFFAOYSA-N 0 0 420.535 1.604 50 0 HDAARN O=C(CNC(=O)c1ccccc1)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000096324812 568734652 /nfs/dbraw/zinc/73/46/52/568734652.db2.gz VQNAGTXKCWZZPK-UHFFFAOYSA-N 0 0 418.457 1.186 50 0 HDAARN COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c1 ZINC000000886733 568739138 /nfs/dbraw/zinc/73/91/38/568739138.db2.gz QIRZTMXCXRTRFW-UHFFFAOYSA-N 0 0 408.432 1.837 50 0 HDAARN CCn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3OC)CC2)c1=O ZINC000096396655 568745257 /nfs/dbraw/zinc/74/52/57/568745257.db2.gz RVLWMRSBFJQUOH-UHFFFAOYSA-N 0 0 415.475 1.550 50 0 HDAARN CCCCn1c(=O)[nH]c2c(nsc2C(=O)N2CCC[C@@H](C(=O)OCC)C2)c1=O ZINC000096396719 568745283 /nfs/dbraw/zinc/74/52/83/568745283.db2.gz TZQCJMPNPQKYPR-LLVKDONJSA-N 0 0 408.480 1.774 50 0 HDAARN O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000019079694 568752552 /nfs/dbraw/zinc/75/25/52/568752552.db2.gz PJLJATUGZBMVKE-UHFFFAOYSA-N 0 0 406.489 1.750 50 0 HDAARN Cc1cccc(N2C(=O)CN(S(C)(=O)=O)C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000021869729 568756095 /nfs/dbraw/zinc/75/60/95/568756095.db2.gz SNBUWRXEPKLRMB-FQEVSTJZSA-N 0 0 407.536 1.729 50 0 HDAARN CCS(=O)(=O)N1CC(=O)N(c2ccccc2C)[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000021870055 568756315 /nfs/dbraw/zinc/75/63/15/568756315.db2.gz QRHUPJPPXNMXQV-HXUWFJFHSA-N 0 0 407.536 1.811 50 0 HDAARN CC(C)NC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCc1ccc(F)cc1)N(C)C2=O ZINC000021876573 568756680 /nfs/dbraw/zinc/75/66/80/568756680.db2.gz BNVSVHNVMBMSNY-HXUWFJFHSA-N 0 0 401.442 1.321 50 0 HDAARN CN1C(=O)c2cc(C(=O)NC3CCCC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876036 568756736 /nfs/dbraw/zinc/75/67/36/568756736.db2.gz PUBMSUVJSQHJHQ-QFIPXVFZSA-N 0 0 409.490 1.716 50 0 HDAARN COC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(Cl)c2)cn1C ZINC000021882225 568757666 /nfs/dbraw/zinc/75/76/66/568757666.db2.gz MONFHFFYKUZLFW-UHFFFAOYSA-N 0 0 417.846 1.911 50 0 HDAARN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NC[C@H]3CCCO3)c2)on1 ZINC000021894488 568760036 /nfs/dbraw/zinc/76/00/36/568760036.db2.gz SICUNHDHRIYHBI-CYBMUJFWSA-N 0 0 410.448 1.984 50 0 HDAARN CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCC(=O)NCCc1ccco1 ZINC000021919739 568760587 /nfs/dbraw/zinc/76/05/87/568760587.db2.gz BWNHXDNYALXCBY-QFIPXVFZSA-N 0 0 408.458 1.554 50 0 HDAARN NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(Cn3cccn3)cc2)cc1 ZINC000021922181 568760777 /nfs/dbraw/zinc/76/07/77/568760777.db2.gz BPTOTMZZVJUSJY-UHFFFAOYSA-N 0 0 401.444 1.815 50 0 HDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COCc3ccco3)CC2)cc1 ZINC000022356601 568766976 /nfs/dbraw/zinc/76/69/76/568766976.db2.gz RPQINUUIPZASGU-GOSISDBHSA-N 0 0 422.503 1.366 50 0 HDAARN COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 ZINC000055371396 568772484 /nfs/dbraw/zinc/77/24/84/568772484.db2.gz ZOVORBOYMRTPBL-SFHVURJKSA-N 0 0 403.429 1.980 50 0 HDAARN Cn1nc(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)ccc1=O ZINC000225561228 568773996 /nfs/dbraw/zinc/77/39/96/568773996.db2.gz JSLRPVJHIHVFTI-UHFFFAOYSA-N 0 0 424.436 1.915 50 0 HDAARN COc1ccc(C(=O)N2CC(n3cc(CN4CCCC4=O)nn3)C2)c(OC)c1OC ZINC000225632031 568777747 /nfs/dbraw/zinc/77/77/47/568777747.db2.gz PFSFURROOMSIFK-UHFFFAOYSA-N 0 0 415.450 1.123 50 0 HDAARN CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2cnc3ccsc3c2=O)cc1 ZINC000225773685 568781556 /nfs/dbraw/zinc/78/15/56/568781556.db2.gz AOMOIAWBIOPMAN-UHFFFAOYSA-N 0 0 419.528 1.999 50 0 HDAARN C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000028367759 568784475 /nfs/dbraw/zinc/78/44/75/568784475.db2.gz SYVKTGPDNSYESC-LBPRGKRZSA-N 0 0 414.462 1.781 50 0 HDAARN CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000056061598 568785127 /nfs/dbraw/zinc/78/51/27/568785127.db2.gz YLHIDVCXISWRJK-UHFFFAOYSA-N 0 0 401.488 1.824 50 0 HDAARN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1 ZINC000028477417 568785182 /nfs/dbraw/zinc/78/51/82/568785182.db2.gz JWXWVSYRZLMFKS-SNVBAGLBSA-N 0 0 405.373 1.037 50 0 HDAARN O=C(COc1ncnc2sccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000002620438 568787629 /nfs/dbraw/zinc/78/76/29/568787629.db2.gz WYRATYYDTQXSPU-UHFFFAOYSA-N 0 0 418.500 1.603 50 0 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569392635 /nfs/dbraw/zinc/39/26/35/569392635.db2.gz BBOBXVXCYWMGRR-MAUKXSAKSA-N 0 0 420.491 1.463 50 0 HDAARN CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000055261200 569397236 /nfs/dbraw/zinc/39/72/36/569397236.db2.gz LSYBZQOELVBGHT-UHFFFAOYSA-N 0 0 409.508 1.581 50 0 HDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccnc1 ZINC000002436502 569399773 /nfs/dbraw/zinc/39/97/73/569399773.db2.gz ZHSCGAWWLWMZCQ-KRWDZBQOSA-N 0 0 404.426 1.863 50 0 HDAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)c1 ZINC000007942481 569402004 /nfs/dbraw/zinc/40/20/04/569402004.db2.gz UCQBKOUTBLYYOA-UHFFFAOYSA-N 0 0 408.458 1.712 50 0 HDAARN CS(=O)(=O)c1cccc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 ZINC000007945501 569402863 /nfs/dbraw/zinc/40/28/63/569402863.db2.gz GDGDCLLBOSVOOP-UHFFFAOYSA-N 0 0 413.455 1.101 50 0 HDAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)C[C@H](O)CO)c12)OC(C)(C)CC3 ZINC000012895443 569404694 /nfs/dbraw/zinc/40/46/94/569404694.db2.gz MRRXKKODIRZOHK-ZDUSSCGKSA-N 0 0 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CCCCn1c(N)c(N(C)C(=O)CN2CCOc3ccc(Cl)cc32)c(=O)[nH]c1=O ZINC000078899725 569421561 /nfs/dbraw/zinc/42/15/61/569421561.db2.gz PMYKMFYGLNKQCI-UHFFFAOYSA-N 0 0 421.885 1.434 50 0 HDAARN CCOC(=O)N[C@H](C(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1)C(C)C ZINC000078934434 569421772 /nfs/dbraw/zinc/42/17/72/569421772.db2.gz ZCARYVLJKJMGFV-AWEZNQCLSA-N 0 0 412.512 1.739 50 0 HDAARN Cn1cc([C@H]2NC(=O)CC[C@@H]2NC(=O)c2ccc(I)cc2)cn1 ZINC000079021493 569424305 /nfs/dbraw/zinc/42/43/05/569424305.db2.gz GMYPYZNIHFPXSK-DZGCQCFKSA-N 0 0 424.242 1.774 50 0 HDAARN CCN(CC)C(=O)CSc1nnc(S[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1N ZINC000079058326 569426008 /nfs/dbraw/zinc/42/60/08/569426008.db2.gz UYEPLEIUHBKDLK-VXGBXAGGSA-N 0 0 421.614 1.400 50 0 HDAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000079057895 569426065 /nfs/dbraw/zinc/42/60/65/569426065.db2.gz WUYBGULNIKKTSN-YQQAZPJKSA-N 0 0 410.536 1.857 50 0 HDAARN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000079075505 569427007 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COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(O)=C23)cc1OC ZINC000008555417 571080128 /nfs/dbraw/zinc/08/01/28/571080128.db2.gz ZLRBOWGIECOTCA-IEBWSBKVSA-N 0 0 410.382 1.922 50 0 HDAARN C[C@@H]1CN1C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000067337771 571080495 /nfs/dbraw/zinc/08/04/95/571080495.db2.gz SPYVDMBHWRCWTA-SGZRZGDHSA-N 0 0 423.926 1.429 50 0 HDAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 ZINC000008564271 571082002 /nfs/dbraw/zinc/08/20/02/571082002.db2.gz TULBLVWSMAFRCH-FQEVSTJZSA-N 0 0 412.471 1.830 50 0 HDAARN COc1ccc(-n2ccn(CC(=O)NCCc3ccccc3)c(=O)c2=O)cc1OC ZINC000008588328 571084448 /nfs/dbraw/zinc/08/44/48/571084448.db2.gz JVJMADRPCMOQTR-UHFFFAOYSA-N 0 0 409.442 1.375 50 0 biogenic HDAARN COC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000038835161 571085908 /nfs/dbraw/zinc/08/59/08/571085908.db2.gz YIJUMTCKJHYOKC-KRWDZBQOSA-N 0 0 404.444 1.947 50 0 HDAARN CCN(CC)c1nn2c(ncc(C(=O)NCc3cccc(OC)c3OC)c2=O)s1 ZINC000008604222 571091593 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O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC[C@H]1COc2ccccc2O1 ZINC000005190957 559291429 /nfs/dbraw/zinc/29/14/29/559291429.db2.gz NKJULCYKPFNZKF-INIZCTEOSA-N 0 0 417.425 1.538 50 0 HDAARN COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)CC1=O ZINC000005192609 559291544 /nfs/dbraw/zinc/29/15/44/559291544.db2.gz ZSAXKYMLMHUXID-ZDUSSCGKSA-N 0 0 412.398 1.959 50 0 HDAARN C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000061720252 560536331 /nfs/dbraw/zinc/53/63/31/560536331.db2.gz HVXFCMLPGOVJLK-AWEZNQCLSA-N 0 0 413.453 1.783 50 0 HDAARN C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1 ZINC000061720704 560536741 /nfs/dbraw/zinc/53/67/41/560536741.db2.gz DHCBSWOQDLBQKC-IBGZPJMESA-N 0 0 410.474 1.428 50 0 HDAARN COC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000005201442 560537457 /nfs/dbraw/zinc/53/74/57/560537457.db2.gz MGRIQQWSPBGQRG-AWEZNQCLSA-N 0 0 403.435 1.158 50 0 HDAARN CC1CCN(c2ccc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)n2)CC1 ZINC000061721469 560537551 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O=C(CC[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCNc1ncccn1 ZINC000409413634 560723245 /nfs/dbraw/zinc/72/32/45/560723245.db2.gz DBYVHCHIEIUWOD-CYBMUJFWSA-N 0 0 422.367 1.327 50 0 HDAARN CCN(CC)C(=O)[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 ZINC000017981976 560732999 /nfs/dbraw/zinc/73/29/99/560732999.db2.gz SUYILJQEYDATLZ-GOSISDBHSA-N 0 0 417.487 1.637 50 0 HDAARN Cn1nc(-c2cccs2)cc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000206907285 560749154 /nfs/dbraw/zinc/74/91/54/560749154.db2.gz UOPWJVCSHPEHBE-UHFFFAOYSA-N 0 0 421.490 1.482 50 0 HDAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccc(-n2cnnn2)c1 ZINC000206837944 560749198 /nfs/dbraw/zinc/74/91/98/560749198.db2.gz PJZMUHHRHWSOQM-QGZVFWFLSA-N 0 0 403.402 1.951 50 0 HDAARN CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1 ZINC000009426771 560758985 /nfs/dbraw/zinc/75/89/85/560758985.db2.gz WELGYFAXJWLKLA-UHFFFAOYSA-N 0 0 419.507 1.188 50 0 HDAARN CCOC(=O)Cn1c2cc3c(cc2s/c1=N\C(=O)c1cn(C)nc1OC)OCO3 ZINC000100877960 560761864 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COCc1ccccc1CNC(=O)Nc1ccn(CC(=O)N2CCN(C)CC2)n1 ZINC000095406039 568606163 /nfs/dbraw/zinc/60/61/63/568606163.db2.gz FTWASLYYIMCYOD-UHFFFAOYSA-N 0 0 400.483 1.125 50 0 HDAARN CCn1cnnc1[C@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2N)C1 ZINC000095426055 568607966 /nfs/dbraw/zinc/60/79/66/568607966.db2.gz MQVPNIUVBNLFIW-JTQLQIEISA-N 0 0 415.317 1.606 50 0 HDAARN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC3(C2)OCCO3)cc1 ZINC000095443790 568611287 /nfs/dbraw/zinc/61/12/87/568611287.db2.gz ORMHZFSGNBLLCE-UHFFFAOYSA-N 0 0 418.537 1.756 50 0 HDAARN COc1ccc(NC(=O)Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)c(OC)c1 ZINC000020489071 568614132 /nfs/dbraw/zinc/61/41/32/568614132.db2.gz ZULDLCVQZJCNLG-UHFFFAOYSA-N 0 0 417.368 1.933 50 0 HDAARN O=C(c1ccc(S(=O)(=O)NCc2cccs2)cc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000095451979 568615085 /nfs/dbraw/zinc/61/50/85/568615085.db2.gz UJMYVMXYBWJDBV-OAHLLOKOSA-N 0 0 419.528 1.673 50 0 HDAARN NS(=O)(=O)N1CCCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)CC1 ZINC000095460906 568620413 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O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2nccnc2c1 ZINC000012980213 569042676 /nfs/dbraw/zinc/04/26/76/569042676.db2.gz WXZYYYGDVHRWSP-UHFFFAOYSA-N 0 0 412.471 1.581 50 0 HDAARN Cc1nc2onc(-c3cccc(F)c3)c2c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000035513764 569043265 /nfs/dbraw/zinc/04/32/65/569043265.db2.gz HAUQVVOBLUHIOR-ZDUSSCGKSA-N 0 0 420.422 1.414 50 0 HDAARN O=C(c1nnc(-c2cc(S(=O)(=O)NCc3ccccn3)c[nH]2)o1)N1CCCC1 ZINC000035526470 569043798 /nfs/dbraw/zinc/04/37/98/569043798.db2.gz MBNBCTQSSVZUGL-UHFFFAOYSA-N 0 0 402.436 1.174 50 0 HDAARN O=C(CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21)NCc1ccccn1 ZINC000035558819 569044813 /nfs/dbraw/zinc/04/48/13/569044813.db2.gz RFDKIJORLLXCIF-UHFFFAOYSA-N 0 0 408.458 1.750 50 0 HDAARN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(CCn2cccn2)CC1 ZINC000064138098 569044853 /nfs/dbraw/zinc/04/48/53/569044853.db2.gz PRCCKGIFBJGSMQ-UHFFFAOYSA-N 0 0 404.414 1.788 50 0 HDAARN C[C@@H]1CN(c2ncnc3c2cnn3CCNC(=O)COc2ccccc2)C[C@H](C)O1 ZINC000035590464 569045362 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Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCCCNC(=O)OC(C)(C)C)o1 ZINC000001900845 569057339 /nfs/dbraw/zinc/05/73/39/569057339.db2.gz KDURDOMTBFHZLE-UHFFFAOYSA-N 0 0 411.484 1.894 50 0 HDAARN CC[C@H](C)NC(=O)Cn1c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2cnc1=O ZINC000248141850 569057700 /nfs/dbraw/zinc/05/77/00/569057700.db2.gz CIZMTNGRJGCKQQ-LSDHHAIUSA-N 0 0 420.535 1.874 50 0 HDAARN COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)N1CCCC1=O ZINC000006464611 569057825 /nfs/dbraw/zinc/05/78/25/569057825.db2.gz KXCCTEGTIDNNIC-CQSZACIVSA-N 0 0 408.476 1.239 50 0 HDAARN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](C[S@](C)=O)c3ccccc3)c2)n[nH]1 ZINC000089497147 569061231 /nfs/dbraw/zinc/06/12/31/569061231.db2.gz ISTYTDWRUUAAFJ-CQGGRAHPSA-N 0 0 411.487 1.955 50 0 HDAARN Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)N3CCN(C)CC3)n2)cc1 ZINC000054237209 569061496 /nfs/dbraw/zinc/06/14/96/569061496.db2.gz WXHJGNVRMSHOSK-UHFFFAOYSA-N 0 0 408.911 1.800 50 0 HDAARN C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O ZINC000006566700 569066167 /nfs/dbraw/zinc/06/61/67/569066167.db2.gz NNJAUIREZLHCLC-DYVFJYSZSA-N 0 0 410.268 1.511 50 0 HDAARN COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)NC(=O)C2CCCCC2)c1 ZINC000006580109 569066859 /nfs/dbraw/zinc/06/68/59/569066859.db2.gz ZULUPOYPZRJHBH-UHFFFAOYSA-N 0 0 406.435 1.200 50 0 HDAARN NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006579521 569066962 /nfs/dbraw/zinc/06/69/62/569066962.db2.gz CRBKBSNZDZIGBE-UHFFFAOYSA-N 0 0 419.547 1.673 50 0 HDAARN COc1ccc(OC)c(S(=O)(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000006581495 569067538 /nfs/dbraw/zinc/06/75/38/569067538.db2.gz SDABRMWWGYBBTK-HIFRSBDPSA-N 0 0 419.521 1.061 50 0 HDAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000006586591 569067765 /nfs/dbraw/zinc/06/77/65/569067765.db2.gz BWAURFDSAVOYFW-UHFFFAOYSA-N 0 0 412.475 1.376 50 0 HDAARN COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCC(=O)CC2)cc1 ZINC000006582195 569067938 /nfs/dbraw/zinc/06/79/38/569067938.db2.gz TUMMOGWTOCHTHL-INIZCTEOSA-N 0 0 400.522 1.287 50 0 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1.910 50 0 HDAARN CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn21 ZINC000013848104 569258023 /nfs/dbraw/zinc/25/80/23/569258023.db2.gz HYILHGYOCOBVAU-UHFFFAOYSA-N 0 0 408.434 1.476 50 0 HDAARN Cc1cc(S(=O)(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)ccc1F ZINC000013848641 569258048 /nfs/dbraw/zinc/25/80/48/569258048.db2.gz YRGFOBMUTSRBIX-UHFFFAOYSA-N 0 0 416.482 1.960 50 0 HDAARN Cc1nc2c(cnn2C(C)(C)C)c(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)n1 ZINC000089708953 569262815 /nfs/dbraw/zinc/26/28/15/569262815.db2.gz QCTNGBREPNVIQG-KRWDZBQOSA-N 0 0 423.521 1.905 50 0 HDAARN COc1ccc(C(=O)Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000016839426 569264283 /nfs/dbraw/zinc/26/42/83/569264283.db2.gz MJKUWNGBHHTYRJ-UHFFFAOYSA-N 0 0 411.462 1.695 50 0 HDAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N(CCO)Cc1cccnc1 ZINC000089793984 569265287 /nfs/dbraw/zinc/26/52/87/569265287.db2.gz ADKVMWMPANGEEH-UHFFFAOYSA-N 0 0 423.560 1.881 50 0 HDAARN O=C(Cn1cnc2c(cnn2[C@@H]2CCS(=O)(=O)C2)c1=O)c1ccc(Cl)cc1 ZINC000016849830 569265810 /nfs/dbraw/zinc/26/58/10/569265810.db2.gz ABACLDLERUQVFZ-CYBMUJFWSA-N 0 0 406.851 1.489 50 0 HDAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1 ZINC000016955080 569268555 /nfs/dbraw/zinc/26/85/55/569268555.db2.gz VDXDCFKDAPMCJS-UHFFFAOYSA-N 0 0 422.470 1.931 50 0 HDAARN COc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)cc1 ZINC000017014862 569271666 /nfs/dbraw/zinc/27/16/66/569271666.db2.gz ZGYSTIMSSGRLDA-LJQANCHMSA-N 0 0 404.426 1.956 50 0 biogenic HDAARN COc1ccc(N(C[C@@H](O)C[NH2+]CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017043734 569272356 /nfs/dbraw/zinc/27/23/56/569272356.db2.gz QKGIQGDQQNQZGA-INIZCTEOSA-N 0 0 408.476 1.234 50 0 HDAARN CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000017091719 569274725 /nfs/dbraw/zinc/27/47/25/569274725.db2.gz WLOJOFKLWQEISX-UHFFFAOYSA-N 0 0 418.928 1.252 50 0 HDAARN O=C(NCc1cccnc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 ZINC000017169550 569276094 /nfs/dbraw/zinc/27/60/94/569276094.db2.gz GHKKMUQXFFFPNE-HNNXBMFYSA-N 0 0 419.484 1.684 50 0 HDAARN CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000252460198 569286686 /nfs/dbraw/zinc/28/66/86/569286686.db2.gz CNBBZDFADCNPHA-VJANTYMQSA-N 0 0 403.523 1.704 50 0 biogenic HDAARN COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 ZINC000027189943 569286694 /nfs/dbraw/zinc/28/66/94/569286694.db2.gz VPICLBAUQDYWLU-QFIPXVFZSA-N 0 0 424.457 1.559 50 0 HDAARN C[C@@H](NC(=O)CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2 ZINC000252486979 569289328 /nfs/dbraw/zinc/28/93/28/569289328.db2.gz QLPBNVPFBHFINP-ZBFHGGJFSA-N 0 0 420.487 1.875 50 0 HDAARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c1 ZINC000252492769 569290724 /nfs/dbraw/zinc/29/07/24/569290724.db2.gz MVTIFYUAJNUEFX-QGZVFWFLSA-N 0 0 418.471 1.985 50 0 HDAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000054685601 569293763 /nfs/dbraw/zinc/29/37/63/569293763.db2.gz MPZBFPUPAOLTGQ-KRWDZBQOSA-N 0 0 403.504 1.606 50 0 HDAARN CCCc1ccc(S(=O)(=O)N2CCCN([C@H]3CCN(CCOC)C3=O)CC2)cc1 ZINC000252585902 569294645 /nfs/dbraw/zinc/29/46/45/569294645.db2.gz LZXUKYVAZDHEFU-FQEVSTJZSA-N 0 0 423.579 1.583 50 0 HDAARN CCOc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NC(=O)NC2CC2)cc1OCC ZINC000027352126 569294910 /nfs/dbraw/zinc/29/49/10/569294910.db2.gz TYDCYIXLCCFDTP-ZDUSSCGKSA-N 0 0 406.483 1.731 50 0 HDAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007627029 569297545 /nfs/dbraw/zinc/29/75/45/569297545.db2.gz VQKSKDLYXNYUII-LBPRGKRZSA-N 0 0 401.916 1.769 50 0 HDAARN O=S(=O)(c1cccc(Br)c1)N1CCN(C(=S)NC2CC2)CC1 ZINC000007662153 569299688 /nfs/dbraw/zinc/29/96/88/569299688.db2.gz ZPKSXAUOIMZLIC-UHFFFAOYSA-N 0 0 404.355 1.792 50 0 HDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)c1ccccc1 ZINC000007723349 569302727 /nfs/dbraw/zinc/30/27/27/569302727.db2.gz BRKFOCVDWMCNIL-UHFFFAOYSA-N 0 0 405.476 1.704 50 0 HDAARN CCCn1c(N)c(C(=O)CN2CCC[C@H]2c2ccc(OC)cc2OC)c(=O)[nH]c1=O ZINC000007740566 569305366 /nfs/dbraw/zinc/30/53/66/569305366.db2.gz NKMHGPWBGBNJDT-HNNXBMFYSA-N 0 0 416.478 1.566 50 0 HDAARN O=C(NCCCN1CCCCCC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000007798206 569311184 /nfs/dbraw/zinc/31/11/84/569311184.db2.gz VOMSHBDXTBQWAW-UHFFFAOYSA-N 0 0 423.535 1.230 50 0 HDAARN COC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2[C@H]1c1ccccc1 ZINC000252675739 569319588 /nfs/dbraw/zinc/31/95/88/569319588.db2.gz UWXJPWLVYNOZNB-IBGZPJMESA-N 0 0 422.510 1.759 50 0 HDAARN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)C1 ZINC000252676558 569319654 /nfs/dbraw/zinc/31/96/54/569319654.db2.gz XKVZVFIOSMHQPC-IPMKNSEASA-N 0 0 407.555 1.901 50 0 HDAARN COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2[C@H]1c1cccnc1 ZINC000002253474 569326095 /nfs/dbraw/zinc/32/60/95/569326095.db2.gz OHBGCOOIPGTHJU-QGZVFWFLSA-N 0 0 404.426 1.863 50 0 HDAARN C[C@@H]1CO[C@H](CO)CN1C(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000253393078 569365106 /nfs/dbraw/zinc/36/51/06/569365106.db2.gz PYTVCFNZDRUXQU-PMPSAXMXSA-N 0 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CCc1ncnc(O[C@@H]2CCN(S(=O)(=O)c3ccsc3C(=O)OC)C2)c1F ZINC000253472698 569381604 /nfs/dbraw/zinc/38/16/04/569381604.db2.gz ONNMEOXCYWFVCZ-SNVBAGLBSA-N 0 0 415.468 1.868 50 0 HDAARN COC(=O)C1=CNC(=O)C([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)C1=O ZINC000253623855 569383376 /nfs/dbraw/zinc/38/33/76/569383376.db2.gz QRXLSSCVHSMAQD-ZDUSSCGKSA-N 0 0 423.425 1.548 50 0 biogenic HDAARN Cn1c2ccc([C@H](CC(N)=O)c3c(Cc4ccccc4)[nH][nH]c3=O)cc2n(C)c1=O ZINC000252500653 569387790 /nfs/dbraw/zinc/38/77/90/569387790.db2.gz SZVYQUXJLLFLAM-HNNXBMFYSA-N 0 0 405.458 1.904 50 0 HDAARN CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000008724561 569390071 /nfs/dbraw/zinc/39/00/71/569390071.db2.gz MWSVBYFYSFWSBU-DHZHZOJOSA-N 0 0 422.489 1.843 50 0 HDAARN Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1F ZINC000002438084 569400011 /nfs/dbraw/zinc/40/00/11/569400011.db2.gz VPDGRDGKPWYCFU-UHFFFAOYSA-N 0 0 422.467 1.176 50 0 HDAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000013023220 569407403 /nfs/dbraw/zinc/40/74/03/569407403.db2.gz LMPHMBAKMHRSTL-HXUWFJFHSA-N 0 0 411.393 1.791 50 0 HDAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000013038286 569407739 /nfs/dbraw/zinc/40/77/39/569407739.db2.gz UPSQUZXQDGTJEJ-UHFFFAOYSA-N 0 0 407.467 1.779 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)C[C@H](C)O1 ZINC000013096720 569408920 /nfs/dbraw/zinc/40/89/20/569408920.db2.gz WCNULMTWKNMCEZ-OKILXGFUSA-N 0 0 417.487 1.836 50 0 HDAARN COc1cccc(C2=NC3=NC(C)=C(C(N)=O)[C@H](c4ccc5c(c4)OCO5)N3N2)c1 ZINC000013123508 569409570 /nfs/dbraw/zinc/40/95/70/569409570.db2.gz BQBCSJRQMVFTPL-SFHVURJKSA-N 0 0 405.414 1.861 50 0 HDAARN O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(F)cc1 ZINC000013371471 569412955 /nfs/dbraw/zinc/41/29/55/569412955.db2.gz SMWZXAKXIDSWNI-IRXDYDNUSA-N 0 0 401.456 1.694 50 0 HDAARN COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccccc2F)cc1 ZINC000013371661 569413103 /nfs/dbraw/zinc/41/31/03/569413103.db2.gz YIXIDTUUDBWDTR-ROUUACIJSA-N 0 0 413.492 1.563 50 0 HDAARN COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000328589407 569414811 /nfs/dbraw/zinc/41/48/11/569414811.db2.gz QLFUTNLKCGQYQJ-YSHGAJCASA-N 0 0 400.475 1.895 50 0 HDAARN O=C(c1cccc(CN2CCS(=O)(=O)CC2)c1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000328592022 569415247 /nfs/dbraw/zinc/41/52/47/569415247.db2.gz OAUXRZNALXYPSF-UHFFFAOYSA-N 0 0 416.547 1.735 50 0 HDAARN COC(=O)CNC(=O)c1cccc(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c1 ZINC000078902986 569421590 /nfs/dbraw/zinc/42/15/90/569421590.db2.gz ONWHYHGYCGRCGC-UHFFFAOYSA-N 0 0 401.423 1.048 50 0 HDAARN C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1 ZINC000078975829 569422817 /nfs/dbraw/zinc/42/28/17/569422817.db2.gz UMSDNRXDASOEDI-HXOBKFHXSA-N 0 0 413.518 1.703 50 0 HDAARN COCCCOC1CN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000078995362 569423127 /nfs/dbraw/zinc/42/31/27/569423127.db2.gz CFMMHRJHPYGMOM-IBGZPJMESA-N 0 0 412.552 1.952 50 0 HDAARN 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50 0 HDAARN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000048367362 568441966 /nfs/dbraw/zinc/44/19/66/568441966.db2.gz SHVNHQWLAJIIAW-IYBDPMFKSA-N 0 0 421.523 1.208 50 0 HDAARN Cn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cn1 ZINC000048368079 568442100 /nfs/dbraw/zinc/44/21/00/568442100.db2.gz NQHSKWYZRWBJPY-QGZVFWFLSA-N 0 0 409.490 1.190 50 0 HDAARN Cc1n[nH]cc1CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000051383017 568443515 /nfs/dbraw/zinc/44/35/15/568443515.db2.gz AHFBQVMLZQZURJ-UHFFFAOYSA-N 0 0 406.386 1.602 50 0 HDAARN CC(C)CCNC(=O)C1CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000049006598 568444827 /nfs/dbraw/zinc/44/48/27/568444827.db2.gz VYNSNZBXKJFPKI-UHFFFAOYSA-N 0 0 424.567 1.481 50 0 HDAARN COc1ccc(OCc2noc(CNC(=O)c3cccc(-n4cnnn4)c3)n2)cc1 ZINC000049027306 568445541 /nfs/dbraw/zinc/44/55/41/568445541.db2.gz YUNKBFPGMBWNLM-UHFFFAOYSA-N 0 0 407.390 1.563 50 0 HDAARN COC(=O)c1cccc(NC(=O)Cn2nc3c(N4CCC(C)CC4)nccn3c2=O)c1 ZINC000049399768 568447369 /nfs/dbraw/zinc/44/73/69/568447369.db2.gz NUDXAJPHOTYWOV-UHFFFAOYSA-N 0 0 424.461 1.553 50 0 HDAARN O=C(C1=NN(Cc2cc(F)cc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 ZINC000049402621 568448092 /nfs/dbraw/zinc/44/80/92/568448092.db2.gz VVVZALZLCZOVSL-UHFFFAOYSA-N 0 0 421.425 1.931 50 0 HDAARN CCCn1c(=O)c2nscc2n(CC(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000049403840 568448390 /nfs/dbraw/zinc/44/83/90/568448390.db2.gz SEVOKKCGXIDDCU-UHFFFAOYSA-N 0 0 402.432 1.455 50 0 HDAARN CCOC(=O)[C@@H](CC)n1nc2ccc(S(=O)(=O)N3CCC(C)CC3)cn2c1=O ZINC000049407954 568449263 /nfs/dbraw/zinc/44/92/63/568449263.db2.gz DZSKRMGMXQSLQB-OAHLLOKOSA-N 0 0 410.496 1.431 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CN2CC(c3nc(-c4cccs4)no3)C2)CC1 ZINC000049484483 568450851 /nfs/dbraw/zinc/45/08/51/568450851.db2.gz LVHKQBLCFILPER-UHFFFAOYSA-N 0 0 405.480 1.498 50 0 HDAARN COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4ccc(F)cc4)n3C2=O)cc1 ZINC000049544245 568451230 /nfs/dbraw/zinc/45/12/30/568451230.db2.gz POQAWFDDPXACPF-UHFFFAOYSA-N 0 0 411.393 1.497 50 0 HDAARN O=C(NC[C@@H]1CCCO1)C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000049523814 568452461 /nfs/dbraw/zinc/45/24/61/568452461.db2.gz AVZOAOHDIAIAMC-KRWDZBQOSA-N 0 0 406.458 1.481 50 0 HDAARN CCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccc(C)cc1 ZINC000012232542 568454232 /nfs/dbraw/zinc/45/42/32/568454232.db2.gz KZSYDDYRHLGNAH-CQSZACIVSA-N 0 0 418.519 1.684 50 0 HDAARN C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000018434914 568454386 /nfs/dbraw/zinc/45/43/86/568454386.db2.gz HRLGWQRGNWZMHH-WFASDCNBSA-N 0 0 423.491 1.106 50 0 HDAARN CCOc1ccc(N2CCn3c2nnc(C(=O)NCCCOC(C)C)c3=O)cc1 ZINC000012234031 568454616 /nfs/dbraw/zinc/45/46/16/568454616.db2.gz XHKGCBBQCCHSEF-UHFFFAOYSA-N 0 0 401.467 1.734 50 0 HDAARN Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C ZINC000006565526 568455708 /nfs/dbraw/zinc/45/57/08/568455708.db2.gz QQEAXLGPSGOOBU-UHFFFAOYSA-N 0 0 407.833 1.111 50 0 biogenic HDAARN O=C(NCc1cnn(-c2ccccc2)n1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 ZINC000012244434 568455870 /nfs/dbraw/zinc/45/58/70/568455870.db2.gz QIOFFGHEGMYFLS-HXUWFJFHSA-N 0 0 405.414 2.000 50 0 HDAARN COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000000630838 568456410 /nfs/dbraw/zinc/45/64/10/568456410.db2.gz HILUYNGEMSBMGY-UHFFFAOYSA-N 0 0 403.504 1.561 50 0 HDAARN CCc1ccc(OC[C@@H](O)Cn2c(SC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000000678546 568461419 /nfs/dbraw/zinc/46/14/19/568461419.db2.gz WABMLQIEFASXHX-AWEZNQCLSA-N 0 0 418.519 1.926 50 0 HDAARN COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c1 ZINC000021154026 568462075 /nfs/dbraw/zinc/46/20/75/568462075.db2.gz WGYIYWZKDRILJM-KRWDZBQOSA-N 0 0 409.508 1.394 50 0 HDAARN NC(=O)C1CCN(C(=O)CCCNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000012296873 568462480 /nfs/dbraw/zinc/46/24/80/568462480.db2.gz UGQQGMYTMZCYAZ-UHFFFAOYSA-N 0 0 411.506 1.740 50 0 biogenic HDAARN O=C(COC(=O)CCn1cc(Br)ccc1=O)NC(=O)c1ccccc1 ZINC000051625193 568465464 /nfs/dbraw/zinc/46/54/64/568465464.db2.gz NKMMHPYBRHRPBI-UHFFFAOYSA-N 0 0 407.220 1.501 50 0 HDAARN COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000719650 568465961 /nfs/dbraw/zinc/46/59/61/568465961.db2.gz FKEXAKDXCFSTJK-OAHLLOKOSA-N 0 0 401.419 1.106 50 0 HDAARN Cc1ccc(OCCC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 ZINC000024832305 568469975 /nfs/dbraw/zinc/46/99/75/568469975.db2.gz HKIDIEVRUBUQDT-UHFFFAOYSA-N 0 0 417.462 1.289 50 0 HDAARN CC(=O)COc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC(=O)N(C)C1=O ZINC000012322315 568471234 /nfs/dbraw/zinc/47/12/34/568471234.db2.gz GBLNRWWXVXIVOE-UHFFFAOYSA-N 0 0 409.464 1.227 50 0 HDAARN CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2cc3cc(OC)ccc3n2C)CC1 ZINC000012324317 568471603 /nfs/dbraw/zinc/47/16/03/568471603.db2.gz KHVXPRXUQQMFQV-AWEZNQCLSA-N 0 0 416.478 1.606 50 0 HDAARN O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007139117 568472236 /nfs/dbraw/zinc/47/22/36/568472236.db2.gz KGVLYUVZACJECX-UHFFFAOYSA-N 0 0 415.393 1.540 50 0 HDAARN COCCNC(=O)c1cn([C@@H]2CCCN(C(=O)Cc3c(F)cccc3Cl)C2)nn1 ZINC000012333650 568472737 /nfs/dbraw/zinc/47/27/37/568472737.db2.gz UQAISNSJKWGUMI-CYBMUJFWSA-N 0 0 423.876 1.853 50 0 HDAARN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCn1c2ccccc2oc1=O ZINC000007279251 568478446 /nfs/dbraw/zinc/47/84/46/568478446.db2.gz ZORCJCORWPCKTA-UHFFFAOYSA-N 0 0 419.459 1.882 50 0 HDAARN COc1cccc2c1CCc1c-2n[nH]c1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000218596313 568482284 /nfs/dbraw/zinc/48/22/84/568482284.db2.gz JIIQKUKZZHZJER-UHFFFAOYSA-N 0 0 412.471 1.761 50 0 HDAARN Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3C(=O)NC3CC3)nc2n1 ZINC000007783665 568484763 /nfs/dbraw/zinc/48/47/63/568484763.db2.gz LUUUYXXQSKPJPJ-UHFFFAOYSA-N 0 0 408.418 1.429 50 0 HDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000008155517 568491730 /nfs/dbraw/zinc/49/17/30/568491730.db2.gz LMXZLRVPZBPJLQ-CYBMUJFWSA-N 0 0 402.428 1.130 50 0 HDAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCn1cnc2ccccc2c1=O ZINC000604403991 568492315 /nfs/dbraw/zinc/49/23/15/568492315.db2.gz HLAFTFDAXMLYMQ-QUZZAMIASA-N 0 0 418.453 1.623 50 0 biogenic HDAARN COc1c2c(c(CNC(=O)c3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 ZINC000604404986 568492480 /nfs/dbraw/zinc/49/24/80/568492480.db2.gz NMQDZVPFTXNPMB-UHFFFAOYSA-N 0 0 412.398 1.711 50 0 biogenic HDAARN C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)C1 ZINC000000812600 568495286 /nfs/dbraw/zinc/49/52/86/568495286.db2.gz NTBPNIQOEZBTNP-CHWSQXEVSA-N 0 0 415.523 1.488 50 0 HDAARN CNS(=O)(=O)c1cc(NC(=O)Cc2csc(N3CCCC3=O)n2)ccc1C ZINC000008357780 568498690 /nfs/dbraw/zinc/49/86/90/568498690.db2.gz VDBQZCLYWBVFOY-UHFFFAOYSA-N 0 0 408.505 1.668 50 0 HDAARN O=C(c1cc2c(c(Cl)c1)OCO2)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000008389300 568499945 /nfs/dbraw/zinc/49/99/45/568499945.db2.gz FTTSLWUUKBVLSZ-STQMWFEESA-N 0 0 401.868 1.877 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccc(C(N)=O)cc2)c1 ZINC000031165437 568502875 /nfs/dbraw/zinc/50/28/75/568502875.db2.gz QDYODWLATAOLDI-UHFFFAOYSA-N 0 0 409.895 1.961 50 0 HDAARN O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCC1 ZINC000033077229 568511122 /nfs/dbraw/zinc/51/11/22/568511122.db2.gz HMUNHQAMPIWZCS-UHFFFAOYSA-N 0 0 403.504 1.845 50 0 HDAARN COc1ccc(CN2C(=O)N[C@H](CC(=O)N[C@@H](C)c3nnc4ccccn43)C2=O)cc1 ZINC000223218732 568541360 /nfs/dbraw/zinc/54/13/60/568541360.db2.gz RMOCCXKVKGJKBE-XJKSGUPXSA-N 0 0 422.445 1.426 50 0 HDAARN O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390830315 568592135 /nfs/dbraw/zinc/59/21/35/568592135.db2.gz KCYDKYGJCRVUTP-KRWDZBQOSA-N 0 0 417.512 1.846 50 0 HDAARN CSCC[C@@H](NC(C)=O)C(=O)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390831914 568592477 /nfs/dbraw/zinc/59/24/77/568592477.db2.gz VXLANYPPLQQVAA-CQSZACIVSA-N 0 0 409.537 1.274 50 0 HDAARN CCOC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)c1C(=O)OCC ZINC000020182510 568593295 /nfs/dbraw/zinc/59/32/95/568593295.db2.gz HWSKPMDFUUNXFW-UHFFFAOYSA-N 0 0 404.379 1.041 50 0 HDAARN O=C(Cn1nnc2ccccc2c1=O)NCCCCCCc1nnc2ccccn21 ZINC000094993165 568593876 /nfs/dbraw/zinc/59/38/76/568593876.db2.gz MXPWCCGZTBVNGE-UHFFFAOYSA-N 0 0 405.462 1.754 50 0 HDAARN C[C@@H]1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC000020354939 568599656 /nfs/dbraw/zinc/59/96/56/568599656.db2.gz GWIOVTZIIPLQGD-CHWSQXEVSA-N 0 0 401.442 1.220 50 0 HDAARN C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2=O ZINC000095350642 568600978 /nfs/dbraw/zinc/60/09/78/568600978.db2.gz ZNLAEAFBCOTFTD-AOMKIAJQSA-N 0 0 414.506 1.991 50 0 HDAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020379754 568602402 /nfs/dbraw/zinc/60/24/02/568602402.db2.gz SSBHXZJQPIFDSK-FQEVSTJZSA-N 0 0 409.442 1.849 50 0 HDAARN Cc1c2cnn(CC(=O)NCCN3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417083 568606507 /nfs/dbraw/zinc/60/65/07/568606507.db2.gz HHGPRBBNABDWSJ-UHFFFAOYSA-N 0 0 423.517 1.312 50 0 HDAARN CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000095430408 568608814 /nfs/dbraw/zinc/60/88/14/568608814.db2.gz LZUREWAJDWUIHF-SJORKVTESA-N 0 0 416.474 1.479 50 0 HDAARN C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c2cccnc2O1 ZINC000095433549 568609476 /nfs/dbraw/zinc/60/94/76/568609476.db2.gz SALNPSJLAGSWLL-GFCCVEGCSA-N 0 0 409.489 1.499 50 0 HDAARN COC[C@@H](O)CN(C)c1cc(N(C)C[C@H](O)COC)nc(-c2ccc(F)cc2)n1 ZINC000095443282 568611068 /nfs/dbraw/zinc/61/10/68/568611068.db2.gz QLWIQJWKSMQAJU-IRXDYDNUSA-N 0 0 408.474 1.170 50 0 HDAARN C[C@H](OC(=O)c1ccnc2c(C(N)=O)cnn21)C(=O)Nc1ccccc1OC(F)F ZINC000095444021 568611207 /nfs/dbraw/zinc/61/12/07/568611207.db2.gz QCKQSNGHYYMDFN-VIFPVBQESA-N 0 0 419.344 1.614 50 0 HDAARN O=C(CCNc1c(=O)c(=O)c1N1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020484087 568612970 /nfs/dbraw/zinc/61/29/70/568612970.db2.gz WABSEDPZIWGZRC-UHFFFAOYSA-N 0 0 416.909 1.687 50 0 HDAARN CCN(CC)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 ZINC000020486175 568613286 /nfs/dbraw/zinc/61/32/86/568613286.db2.gz UYYUXYRYNPZJKZ-UHFFFAOYSA-N 0 0 400.482 1.838 50 0 HDAARN COc1ccc(CCNC(C)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1 ZINC000095454112 568616190 /nfs/dbraw/zinc/61/61/90/568616190.db2.gz VSDBWMFNUYIUIE-UHFFFAOYSA-N 0 0 417.531 1.885 50 0 HDAARN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000095457956 568618765 /nfs/dbraw/zinc/61/87/65/568618765.db2.gz AGMHZHSNCNMPCM-IMFGXOCKSA-N 0 0 408.520 1.684 50 0 HDAARN NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000095461733 568620829 /nfs/dbraw/zinc/62/08/29/568620829.db2.gz ZOVBSOBKSCYQAQ-LLVKDONJSA-N 0 0 402.416 1.168 50 0 HDAARN COC(=O)c1cc(S(=O)(=O)N(C)[C@](C)(C(=O)OC)c2ccccn2)ccc1C ZINC000095461676 568620851 /nfs/dbraw/zinc/62/08/51/568620851.db2.gz WDFISNKJFHCXEY-IBGZPJMESA-N 0 0 406.460 1.886 50 0 HDAARN O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccco1)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000095461789 568621067 /nfs/dbraw/zinc/62/10/67/568621067.db2.gz DOPUSUKQDDGHDV-OALUTQOASA-N 0 0 423.512 1.557 50 0 HDAARN O=C(COC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)N1CCNC(=O)C1 ZINC000095466466 568624431 /nfs/dbraw/zinc/62/44/31/568624431.db2.gz PEKQAQUGAWNIJP-UHFFFAOYSA-N 0 0 419.437 1.165 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000225251062 568625781 /nfs/dbraw/zinc/62/57/81/568625781.db2.gz BTHVEGRRLOFDSG-IPELMVKDSA-N 0 0 410.536 1.858 50 0 HDAARN COc1cc2nc(C)n(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)c2cc1OC ZINC000095474527 568629383 /nfs/dbraw/zinc/62/93/83/568629383.db2.gz SRNNZFBDTSFSAH-UHFFFAOYSA-N 0 0 421.450 1.840 50 0 HDAARN CCNC(=S)N1CCN(c2nc3cc4c(cc3c(=O)n2CC)OCCO4)CC1 ZINC000028558560 568631134 /nfs/dbraw/zinc/63/11/34/568631134.db2.gz HWWOCBXEPAWMFO-UHFFFAOYSA-N 0 0 403.508 1.204 50 0 HDAARN COc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n(C)n2)cc1 ZINC000095480818 568633375 /nfs/dbraw/zinc/63/33/75/568633375.db2.gz FTJLLEJPQKSEMG-UHFFFAOYSA-N 0 0 400.460 1.673 50 0 HDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(NC(C)=O)cc1)N(C)CC3)OCO2 ZINC000020609785 568636785 /nfs/dbraw/zinc/63/67/85/568636785.db2.gz CCNOJBXBEPSZSE-SFHVURJKSA-N 0 0 422.445 1.935 50 0 biogenic HDAARN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 ZINC000020613989 568637549 /nfs/dbraw/zinc/63/75/49/568637549.db2.gz OZWVMXPJBWEURY-GOSISDBHSA-N 0 0 411.458 1.852 50 0 HDAARN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc3c(c2)OCC(=O)N3)C1=O ZINC000028805092 568638989 /nfs/dbraw/zinc/63/89/89/568638989.db2.gz OMGCIAWDTACHLT-OAQYLSRUSA-N 0 0 408.414 1.606 50 0 HDAARN Cn1ccnc1N1CCC(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000225467531 568640526 /nfs/dbraw/zinc/64/05/26/568640526.db2.gz ALRWFCAUYRHQIQ-UHFFFAOYSA-N 0 0 403.508 1.141 50 0 HDAARN O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000020729801 568640831 /nfs/dbraw/zinc/64/08/31/568640831.db2.gz LLUDAIUXCBIYIA-UHFFFAOYSA-N 0 0 410.467 1.596 50 0 HDAARN O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000020797922 568643816 /nfs/dbraw/zinc/64/38/16/568643816.db2.gz IUAYYTWDLJUNIX-UHFFFAOYSA-N 0 0 413.499 1.430 50 0 HDAARN C[C@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020857393 568645795 /nfs/dbraw/zinc/64/57/95/568645795.db2.gz IIBZJMZAIHNKEJ-YJBOKZPZSA-N 0 0 401.536 1.253 50 0 HDAARN Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCN(C)C)cc1 ZINC000020861516 568645941 /nfs/dbraw/zinc/64/59/41/568645941.db2.gz YEEBGESIVOMLQT-UHFFFAOYSA-N 0 0 403.551 1.661 50 0 HDAARN Cn1c(C(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc2sccc21 ZINC000020861983 568645946 /nfs/dbraw/zinc/64/59/46/568645946.db2.gz ITVMRBGTYDGCRU-UHFFFAOYSA-N 0 0 404.536 1.540 50 0 HDAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCN1CCOCC1 ZINC000020866723 568646614 /nfs/dbraw/zinc/64/66/14/568646614.db2.gz QFFFNYIAJOVDHJ-GOSISDBHSA-N 0 0 423.517 1.813 50 0 HDAARN COC(=O)CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)ccc1=O ZINC000020893670 568648297 /nfs/dbraw/zinc/64/82/97/568648297.db2.gz DBCVVYOORPCTPY-UHFFFAOYSA-N 0 0 405.476 1.566 50 0 HDAARN CO[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)N(C(C)=O)C1 ZINC000225546961 568649726 /nfs/dbraw/zinc/64/97/26/568649726.db2.gz OOCJDYBMJBXDRY-JKSUJKDBSA-N 0 0 408.886 1.548 50 0 HDAARN COc1ccc(CCNC(=O)CN(C)c2nnc(N3CCCC3=O)s2)c(OC)c1 ZINC000020901570 568650139 /nfs/dbraw/zinc/65/01/39/568650139.db2.gz FNUMFUWVLSNRFW-UHFFFAOYSA-N 0 0 419.507 1.477 50 0 HDAARN CCOc1ccc(CCNC(=O)Cn2cnc3onc(C)c3c2=O)cc1OCC ZINC000020941646 568652529 /nfs/dbraw/zinc/65/25/29/568652529.db2.gz UCWNSSUILPSEHP-UHFFFAOYSA-N 0 0 400.435 1.849 50 0 HDAARN CCCS(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 ZINC000021010902 568657689 /nfs/dbraw/zinc/65/76/89/568657689.db2.gz QZRSGHGEJVLTIS-UHFFFAOYSA-N 0 0 405.459 1.211 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cnc3c(c2)ncn3C)cc1 ZINC000095945136 568663234 /nfs/dbraw/zinc/66/32/34/568663234.db2.gz GETSKYCQHSWLTC-UHFFFAOYSA-N 0 0 404.448 1.454 50 0 HDAARN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000095946679 568664566 /nfs/dbraw/zinc/66/45/66/568664566.db2.gz KENZMLDIEUYPJL-LJQANCHMSA-N 0 0 422.485 1.270 50 0 HDAARN COc1ccc(N2C[C@H](C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CC2=O)cc1 ZINC000095971372 568671558 /nfs/dbraw/zinc/67/15/58/568671558.db2.gz SYSBWEDOJRYHMP-QGZVFWFLSA-N 0 0 409.490 1.804 50 0 HDAARN Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)N1CCOCC1 ZINC000021156213 568673520 /nfs/dbraw/zinc/67/35/20/568673520.db2.gz ORSYGSJJWCLQIK-KRWDZBQOSA-N 0 0 408.861 1.946 50 0 HDAARN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C2(C1)CCCCC2 ZINC000096309567 568673970 /nfs/dbraw/zinc/67/39/70/568673970.db2.gz RQGFWRCLWMYJBI-KRWDZBQOSA-N 0 0 406.552 1.572 50 0 HDAARN Cn1cc(N2CCC[C@H](N3CCN(C(=O)c4cn5ccccc5n4)CC3)C2=O)cn1 ZINC000095998289 568679578 /nfs/dbraw/zinc/67/95/78/568679578.db2.gz GLQXSPAIKZODEZ-SFHVURJKSA-N 0 0 407.478 1.021 50 0 HDAARN NC(=O)c1ccc(C(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)cn1 ZINC000095998347 568679636 /nfs/dbraw/zinc/67/96/36/568679636.db2.gz HFJONIPOBJHQTQ-IBGZPJMESA-N 0 0 407.474 1.134 50 0 HDAARN CC(=O)c1ccc(C(=O)N2CCN([C@H]3CCCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000095998308 568679705 /nfs/dbraw/zinc/67/97/05/568679705.db2.gz BFUOONBKUXVZJJ-FQEVSTJZSA-N 0 0 409.490 1.576 50 0 HDAARN COc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 ZINC000095999093 568680389 /nfs/dbraw/zinc/68/03/89/568680389.db2.gz UZPDJRBWWZJJFF-OAHLLOKOSA-N 0 0 402.476 1.482 50 0 HDAARN COCc1nc([C@@H]2COCCN2C(=O)COc2cccc3c2OC(C)(C)C3)no1 ZINC000096001014 568681182 /nfs/dbraw/zinc/68/11/82/568681182.db2.gz UMRUSEUYEHSVHD-AWEZNQCLSA-N 0 0 403.435 1.908 50 0 HDAARN Cc1ccc(C)c(N2CCN(C(=O)C3CN(c4ncnc5c4nnn5C)C3)CC2)c1 ZINC000096096757 568689393 /nfs/dbraw/zinc/68/93/93/568689393.db2.gz DBHDNYGCRSIGOQ-UHFFFAOYSA-N 0 0 406.494 1.160 50 0 HDAARN Cn1cnc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 ZINC000096098338 568689468 /nfs/dbraw/zinc/68/94/68/568689468.db2.gz ZCMJBLXAJBTDRE-UHFFFAOYSA-N 0 0 406.468 1.851 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103514 568691650 /nfs/dbraw/zinc/69/16/50/568691650.db2.gz RQQXSYWBNMJGSK-HNNXBMFYSA-N 0 0 417.940 1.927 50 0 HDAARN Cc1noc(C)c1CN1CCN(C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC000096115104 568694541 /nfs/dbraw/zinc/69/45/41/568694541.db2.gz FVIOYKGFFOHNSD-GOSISDBHSA-N 0 0 411.462 1.076 50 0 biogenic HDAARN COc1ccc(N2CCC[C@H](C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2)nn1 ZINC000096115768 568695458 /nfs/dbraw/zinc/69/54/58/568695458.db2.gz CJFMVJNPPZLMJV-IKGGRYGDSA-N 0 0 409.490 1.509 50 0 biogenic HDAARN COc1ccc(/C=C2/SC(=O)N(CCC(=O)N[C@@H]3CSC[C@@H]3O)C2=O)cc1 ZINC000012391056 568695513 /nfs/dbraw/zinc/69/55/13/568695513.db2.gz RFSPTOCXCPKTDP-IJEKBPOVSA-N 0 0 408.501 1.714 50 0 HDAARN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000012391126 568695521 /nfs/dbraw/zinc/69/55/21/568695521.db2.gz BQDKXULCXOHPQJ-UHFFFAOYSA-N 0 0 418.500 1.847 50 0 HDAARN COC(=O)c1sccc1NC(=O)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 ZINC000096124009 568700453 /nfs/dbraw/zinc/70/04/53/568700453.db2.gz ZMCGTYVWYXBECU-LBPRGKRZSA-N 0 0 413.463 1.761 50 0 HDAARN O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1nccs1 ZINC000096221670 568705245 /nfs/dbraw/zinc/70/52/45/568705245.db2.gz AAXBPFRZEMAWMQ-LBPRGKRZSA-N 0 0 402.432 1.041 50 0 biogenic HDAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)no1 ZINC000096222585 568705790 /nfs/dbraw/zinc/70/57/90/568705790.db2.gz UOBTUHLHHVUBAL-KRWDZBQOSA-N 0 0 419.441 1.926 50 0 biogenic HDAARN COc1ccc2nnc(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2n1 ZINC000096232464 568708094 /nfs/dbraw/zinc/70/80/94/568708094.db2.gz DPPYSDPFPQLZAP-VMPITWQZSA-N 0 0 406.490 1.923 50 0 HDAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCCN1CCOCC1)n2C ZINC000021529871 568710240 /nfs/dbraw/zinc/71/02/40/568710240.db2.gz MDNUJCLHWNBFPY-UHFFFAOYSA-N 0 0 414.506 1.766 50 0 HDAARN CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCc3ccco3)cc2C(=O)N1C ZINC000021530986 568710902 /nfs/dbraw/zinc/71/09/02/568710902.db2.gz FXPWGRRBKNJWPW-NRFANRHFSA-N 0 0 415.494 1.455 50 0 HDAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000229766389 568715258 /nfs/dbraw/zinc/71/52/58/568715258.db2.gz ACWDMASEMXBJKE-XDTLVQLUSA-N 0 0 413.883 1.478 50 0 HDAARN COc1cc2[nH]c(=O)n(CCCCC(=O)NC[C@@H]3CCCO3)c(=O)c2cc1OC ZINC000085942236 568717545 /nfs/dbraw/zinc/71/75/45/568717545.db2.gz BFHYTSWYXWKRHG-ZDUSSCGKSA-N 0 0 405.451 1.173 50 0 HDAARN Cc1cc(C(=O)N2CCN(c3nc4c(cccc4S(C)(=O)=O)s3)CC2)on1 ZINC000012422469 568721153 /nfs/dbraw/zinc/72/11/53/568721153.db2.gz DUYGFWKRGJYMTO-UHFFFAOYSA-N 0 0 406.489 1.959 50 0 HDAARN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc(C(=O)OC)c1 ZINC000007969191 568723515 /nfs/dbraw/zinc/72/35/15/568723515.db2.gz PFUPUHRJAXEQOD-CQSZACIVSA-N 0 0 400.387 1.840 50 0 HDAARN COc1ccc(CNC(=O)CN2C(=O)COc3ccc(C(=O)N4CCCC4)cc32)cc1 ZINC000021634823 568725139 /nfs/dbraw/zinc/72/51/39/568725139.db2.gz LKIRMYQSUSWZOU-UHFFFAOYSA-N 0 0 423.469 1.973 50 0 HDAARN Cc1cc(C)cc(NC(=O)CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)c1 ZINC000012444073 568725336 /nfs/dbraw/zinc/72/53/36/568725336.db2.gz NIBKCOLQNXLAIW-UHFFFAOYSA-N 0 0 401.448 1.510 50 0 HDAARN COC(=O)c1cc(C)nc2c1c(=O)nc(SCC(=O)N1CCCC1)n2C1CC1 ZINC000012445613 568726681 /nfs/dbraw/zinc/72/66/81/568726681.db2.gz GVMLHLCXTOZGQG-UHFFFAOYSA-N 0 0 402.476 1.936 50 0 HDAARN 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O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)NC[C@H]1CCCO1 ZINC000004166526 568919167 /nfs/dbraw/zinc/91/91/67/568919167.db2.gz OYJNAFVQOGQRGP-CYBMUJFWSA-N 0 0 402.455 1.796 50 0 HDAARN CC(C)n1cnnc1[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 ZINC000670448948 568921781 /nfs/dbraw/zinc/92/17/81/568921781.db2.gz VIVALOPFQYIGCO-GFCCVEGCSA-N 0 0 416.529 1.117 50 0 HDAARN COC(=O)[C@@H]1CC(=O)NN(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000001393331 568925036 /nfs/dbraw/zinc/92/50/36/568925036.db2.gz ZOXIOKDGDAKPPQ-SSDOTTSWSA-N 0 0 411.789 1.899 50 0 HDAARN Cn1nc(C(F)(F)F)c(CNS(=O)(=O)c2cccs2)c1N1CCOCC1 ZINC000001399531 568925999 /nfs/dbraw/zinc/92/59/99/568925999.db2.gz KLFHCMWIUJOQPW-UHFFFAOYSA-N 0 0 410.443 1.816 50 0 HDAARN CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 ZINC000223231716 568927239 /nfs/dbraw/zinc/92/72/39/568927239.db2.gz CXLONAAAZKBTGD-UHFFFAOYSA-N 0 0 414.491 1.990 50 0 HDAARN C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 ZINC000083966565 568928588 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Cn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065152552 569187486 /nfs/dbraw/zinc/18/74/86/569187486.db2.gz ZLJOLTPAABCBIT-UHFFFAOYSA-N 0 0 406.464 1.966 50 0 HDAARN CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000006948949 569188346 /nfs/dbraw/zinc/18/83/46/569188346.db2.gz KWRHHVSQCXJRHT-UHFFFAOYSA-N 0 0 402.472 1.727 50 0 HDAARN COc1cccc(NC(=O)CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 ZINC000006948039 569188551 /nfs/dbraw/zinc/18/85/51/569188551.db2.gz XLHYOFXHRLUNJO-UHFFFAOYSA-N 0 0 400.460 1.838 50 0 HDAARN O=c1n2cc(S(=O)(=O)N3CCCCC3)ccc2nn1CCOc1ccccc1 ZINC000065198689 569193334 /nfs/dbraw/zinc/19/33/34/569193334.db2.gz SKWNRXLBZSKZTG-UHFFFAOYSA-N 0 0 402.476 1.750 50 0 HDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NC[C@H](C)c1ccccc1 ZINC000007006171 569199380 /nfs/dbraw/zinc/19/93/80/569199380.db2.gz RLRCRRJKGJOIDV-HNNXBMFYSA-N 0 0 420.531 1.964 50 0 biogenic HDAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 ZINC000007015741 569201036 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1.839 50 0 HDAARN Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1 ZINC000007061417 569216861 /nfs/dbraw/zinc/21/68/61/569216861.db2.gz MFLUCEQMYPZIBZ-UHFFFAOYSA-N 0 0 415.471 1.511 50 0 HDAARN CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 ZINC000007087751 569217583 /nfs/dbraw/zinc/21/75/83/569217583.db2.gz VWNKEDNLXZGQNX-HXUWFJFHSA-N 0 0 416.384 1.730 50 0 HDAARN COC(=O)c1ccc(NC(=O)Cn2nc3nc(N4CCC[C@@H](C)C4)ccn3c2=O)cc1 ZINC000065307983 569219985 /nfs/dbraw/zinc/21/99/85/569219985.db2.gz GKWYPFCNNJQSKX-CQSZACIVSA-N 0 0 424.461 1.553 50 0 HDAARN CCCCn1c2nn(CC(=O)NCc3ccccc3)c(=O)n2c2ccsc2c1=O ZINC000065305296 569220432 /nfs/dbraw/zinc/22/04/32/569220432.db2.gz GSEIXJMIXBHFLJ-UHFFFAOYSA-N 0 0 411.487 1.989 50 0 HDAARN CC(C)Cn1c2nn(CC(=O)NCc3ccco3)c(=O)n2c2ccsc2c1=O ZINC000065305217 569220489 /nfs/dbraw/zinc/22/04/89/569220489.db2.gz OSWVDCKJPPJIIP-UHFFFAOYSA-N 0 0 401.448 1.438 50 0 HDAARN CC(C)CCn1c2nn(CC(=O)NC3CCCC3)c(=O)n2c2ccsc2c1=O ZINC000065305144 569220510 /nfs/dbraw/zinc/22/05/10/569220510.db2.gz IZOQOYVYVGULDY-UHFFFAOYSA-N 0 0 403.508 1.977 50 0 HDAARN COC(=O)c1ccc2c(c1)nc(N1CCOCC1)n(-c1ccc3c(c1)OCO3)c2=O ZINC000065306671 569220657 /nfs/dbraw/zinc/22/06/57/569220657.db2.gz PUGWNTUGTQVEIQ-UHFFFAOYSA-N 0 0 409.398 1.738 50 0 HDAARN COc1ccc(-n2c3ncc(C(=O)NCc4ccccn4)cc3c(=O)n(C)c2=O)cc1 ZINC000065307328 569220959 /nfs/dbraw/zinc/22/09/59/569220959.db2.gz WUSVLPIGCMLIRP-UHFFFAOYSA-N 0 0 417.425 1.418 50 0 HDAARN Cc1nnc2nc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc(C)n12 ZINC000065311811 569221053 /nfs/dbraw/zinc/22/10/53/569221053.db2.gz XQWDDUDDZHVINC-OAHLLOKOSA-N 0 0 407.478 1.208 50 0 HDAARN O=C(NCc1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC000065319218 569221932 /nfs/dbraw/zinc/22/19/32/569221932.db2.gz YPQKKEJLSPMKDJ-UHFFFAOYSA-N 0 0 418.431 1.281 50 0 HDAARN Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000065319054 569221934 /nfs/dbraw/zinc/22/19/34/569221934.db2.gz PEBLFPXQZDVJDW-UHFFFAOYSA-N 0 0 420.491 1.692 50 0 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/nfs/dbraw/zinc/23/01/63/569230163.db2.gz HLRHNNPJIHAJAF-CQSZACIVSA-N 0 0 412.895 1.884 50 0 HDAARN CSc1ccc(CN(C)C(=O)CCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000036877473 569230951 /nfs/dbraw/zinc/23/09/51/569230951.db2.gz XZUZTWGLYUHLIF-UHFFFAOYSA-N 0 0 415.519 1.594 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000007268445 569231124 /nfs/dbraw/zinc/23/11/24/569231124.db2.gz IVWQMAUJQWLWIO-QGZVFWFLSA-N 0 0 419.503 1.519 50 0 HDAARN CCCCS(=O)(=O)N1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)CC1 ZINC000065475239 569231302 /nfs/dbraw/zinc/23/13/02/569231302.db2.gz UAULLTXBNQWANQ-IBGZPJMESA-N 0 0 421.563 1.528 50 0 HDAARN O=C(NCc1nnc2ccccn21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000007272929 569231670 /nfs/dbraw/zinc/23/16/70/569231670.db2.gz UVGMFVLCOAKXAK-UHFFFAOYSA-N 0 0 405.867 1.753 50 0 HDAARN COC(=O)c1ccc(C)c(S(=O)(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000065565265 569234320 /nfs/dbraw/zinc/23/43/20/569234320.db2.gz LKJGPLYXRDUGBI-MRXNPFEDSA-N 0 0 411.524 1.003 50 0 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/nfs/dbraw/zinc/24/29/82/569242982.db2.gz HYEIEJRYISCMOU-SFHVURJKSA-N 0 0 411.437 1.515 50 0 HDAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000170608573 569245149 /nfs/dbraw/zinc/24/51/49/569245149.db2.gz UKVBTWMVHVBUMD-MSOLQXFVSA-N 0 0 405.520 1.602 50 0 HDAARN O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000170608576 569245219 /nfs/dbraw/zinc/24/52/19/569245219.db2.gz UKVBTWMVHVBUMD-ZWKOTPCHSA-N 0 0 405.520 1.602 50 0 HDAARN CCOC(=O)[C@H](NC(=O)[C@@H](C)NC(C)=O)c1c(C)nn(Cc2ccccc2)c1C ZINC000170614375 569247027 /nfs/dbraw/zinc/24/70/27/569247027.db2.gz ABIHMRNJBGDGOK-AUUYWEPGSA-N 0 0 400.479 1.793 50 0 HDAARN Cc1ccc([C@@H](CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)N2CCOCC2)o1 ZINC000170620981 569248827 /nfs/dbraw/zinc/24/88/27/569248827.db2.gz CVTXUTNAKXYEEU-QGZVFWFLSA-N 0 0 422.507 1.108 50 0 HDAARN CC(C)(CNC(=O)COC(=O)Cc1ccc(OC(F)F)cc1)N1CCOCC1 ZINC000170620893 569248860 /nfs/dbraw/zinc/24/88/60/569248860.db2.gz YLYAGZBIVBMEQZ-UHFFFAOYSA-N 0 0 400.422 1.601 50 0 HDAARN O=C(COc1ccc2occ(C(=O)c3ccco3)c2c1)N[C@H]1CCS(=O)(=O)C1 ZINC000170622132 569249290 /nfs/dbraw/zinc/24/92/90/569249290.db2.gz VISMKJSOJPUQLY-LBPRGKRZSA-N 0 0 403.412 1.939 50 0 HDAARN Cn1c2nc(N3CCCC3)n(C[C@H](O)COc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000170624355 569249507 /nfs/dbraw/zinc/24/95/07/569249507.db2.gz NXEJSUFUNVKZCO-LBPRGKRZSA-N 0 0 419.869 1.117 50 0 HDAARN Cc1cc(=O)n2nc(CN3CCN([C@H]4CCN(c5ccccc5)C4=O)CC3)sc2n1 ZINC000170626293 569250423 /nfs/dbraw/zinc/25/04/23/569250423.db2.gz AMNTYLIYQYPLOD-KRWDZBQOSA-N 0 0 424.530 1.383 50 0 HDAARN COc1ccc(C2(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CCOCC2)cc1 ZINC000071283136 569251831 /nfs/dbraw/zinc/25/18/31/569251831.db2.gz YDPYCTJDGUDKLC-GOSISDBHSA-N 0 0 422.547 1.075 50 0 HDAARN CCOC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CO)cc(=O)c1O ZINC000071283085 569251844 /nfs/dbraw/zinc/25/18/44/569251844.db2.gz PHDCNYFUTHJYJQ-ZDUSSCGKSA-N 0 0 408.403 1.949 50 0 HDAARN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC(=O)Nc1nnc(C)s1 ZINC000010216769 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/nfs/dbraw/zinc/89/58/50/558895850.db2.gz SCNLOJQZFNSHGX-QGZVFWFLSA-N 0 0 403.504 1.590 50 0 HDAARN Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](NS(C)(=O)=O)C3)cc2)cc(=O)[nH]1 ZINC000058105629 558899147 /nfs/dbraw/zinc/89/91/47/558899147.db2.gz QVWFLMAFPSAWDL-HNNXBMFYSA-N 0 0 405.480 1.291 50 0 HDAARN Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000058130501 558900338 /nfs/dbraw/zinc/90/03/38/558900338.db2.gz GNAUASDFMKWTLB-MRXNPFEDSA-N 0 0 402.476 1.930 50 0 HDAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000058135372 558900880 /nfs/dbraw/zinc/90/08/80/558900880.db2.gz CLVSXKSHBVVOTE-UHFFFAOYSA-N 0 0 408.506 1.910 50 0 HDAARN CS(=O)(=O)N1CCC(CNC(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000058157278 558903252 /nfs/dbraw/zinc/90/32/52/558903252.db2.gz RYIXNXXIPPLHIK-UHFFFAOYSA-N 0 0 401.920 1.132 50 0 HDAARN O=C(NCc1ccco1)c1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000033170035 558903280 /nfs/dbraw/zinc/90/32/80/558903280.db2.gz CNXNDERGDDNUPW-UHFFFAOYSA-N 0 0 418.431 1.281 50 0 HDAARN O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1I ZINC000058160673 558905377 /nfs/dbraw/zinc/90/53/77/558905377.db2.gz SIDBNPFNMGUUSR-UHFFFAOYSA-N 0 0 423.258 1.842 50 0 HDAARN CN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccccc2)C1=S ZINC000004700034 558907764 /nfs/dbraw/zinc/90/77/64/558907764.db2.gz NXZWNMAHRHUTKX-QGZVFWFLSA-N 0 0 410.499 1.508 50 0 HDAARN COc1ccc([C@H](CNC(=O)CN2CCNC(=O)C2)c2c[nH]c3ccccc32)cc1 ZINC000058175389 558909143 /nfs/dbraw/zinc/90/91/43/558909143.db2.gz DTDPWMYOBGQYEO-IBGZPJMESA-N 0 0 406.486 1.856 50 0 HDAARN CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000071754846 558909647 /nfs/dbraw/zinc/90/96/47/558909647.db2.gz OEZHEGQUYMWNBG-UHFFFAOYSA-N 0 0 407.536 1.487 50 0 HDAARN C[C@H]1Cc2cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)ccc2N1S(C)(=O)=O ZINC000058203017 558911638 /nfs/dbraw/zinc/91/16/38/558911638.db2.gz VSUXAMLSACTRNY-KBPBESRZSA-N 0 0 404.492 1.883 50 0 HDAARN O=C(COc1ccc2ccc(=O)oc2c1)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000058264673 558915337 /nfs/dbraw/zinc/91/53/37/558915337.db2.gz MTRRHKHYZWOKII-UHFFFAOYSA-N 0 0 419.397 1.507 50 0 HDAARN COCCOc1ccc(S(=O)(=O)N2C[C@H](C(N)=O)Cc3ccccc32)cc1C ZINC000058300362 558917695 /nfs/dbraw/zinc/91/76/95/558917695.db2.gz ZAGAMXGQBOULQP-MRXNPFEDSA-N 0 0 404.488 1.873 50 0 HDAARN CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000058305336 558918224 /nfs/dbraw/zinc/91/82/24/558918224.db2.gz KUOFAEKXATXZIE-LLVKDONJSA-N 0 0 406.551 1.068 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000033254543 558918367 /nfs/dbraw/zinc/91/83/67/558918367.db2.gz AJPZQVGVYTWGQL-UHFFFAOYSA-N 0 0 423.579 1.624 50 0 HDAARN CN1C(=O)c2cc(C(=O)N3CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000033249940 558918793 /nfs/dbraw/zinc/91/87/93/558918793.db2.gz BVZAFXCIFOEJFQ-NRFANRHFSA-N 0 0 401.511 1.802 50 0 HDAARN COC(=O)c1nc2n(n1)CCCN2S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000058355108 558921144 /nfs/dbraw/zinc/92/11/44/558921144.db2.gz GORBTLHNUGXLTB-UHFFFAOYSA-N 0 0 422.797 1.919 50 0 HDAARN COc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)c1 ZINC000072119211 558927975 /nfs/dbraw/zinc/92/79/75/558927975.db2.gz YJJGOGSLRALJMI-UHFFFAOYSA-N 0 0 411.510 1.591 50 0 HDAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000072119432 558928200 /nfs/dbraw/zinc/92/82/00/558928200.db2.gz CFFDSBSVDICVMT-UHFFFAOYSA-N 0 0 421.498 1.272 50 0 HDAARN O=C(COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)N[C@H]1CCS(=O)(=O)C1 ZINC000058711811 558929670 /nfs/dbraw/zinc/92/96/70/558929670.db2.gz PFUJFWVNJWUNLY-VIFPVBQESA-N 0 0 405.259 1.935 50 0 HDAARN CCOC(=O)c1noc2nc(C)n(CC(=O)NCc3ccccc3Cl)c(=O)c12 ZINC000033059427 558948325 /nfs/dbraw/zinc/94/83/25/558948325.db2.gz XMKPLXZLTPBBPK-UHFFFAOYSA-N 0 0 404.810 1.839 50 0 HDAARN Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCOCC3)s2)cc1 ZINC000033062049 558955907 /nfs/dbraw/zinc/95/59/07/558955907.db2.gz ZGTSFPGYDLPFMT-UHFFFAOYSA-N 0 0 403.508 1.480 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000064893333 558966803 /nfs/dbraw/zinc/96/68/03/558966803.db2.gz PZIMJMQYEDYHJT-UHFFFAOYSA-N 0 0 404.492 1.412 50 0 HDAARN COc1cccc(CNC(=O)N2CCc3c(c(C(=O)N4CCOCC4)nn3C)C2)c1 ZINC000064893780 558966944 /nfs/dbraw/zinc/96/69/44/558966944.db2.gz GSVJLGWLAFOHEW-UHFFFAOYSA-N 0 0 413.478 1.169 50 0 HDAARN NC(=O)CCNC(=O)c1cn2cc(-c3cccc(Cl)c3)n(CC3CC3)c(=O)c2n1 ZINC000072412142 558977759 /nfs/dbraw/zinc/97/77/59/558977759.db2.gz NDXCCHZASHXFPJ-UHFFFAOYSA-N 0 0 413.865 1.832 50 0 HDAARN O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCn1cnc2cc(Cl)ccc21 ZINC000334161198 558980450 /nfs/dbraw/zinc/98/04/50/558980450.db2.gz WGHVCJYPZXICJV-MRXNPFEDSA-N 0 0 411.849 1.947 50 0 HDAARN COc1ccc(-c2cn3cc(C(=O)N4CC=C[C@H]4CO)nc3c(=O)n2CC2CC2)cc1 ZINC000072481525 558984221 /nfs/dbraw/zinc/98/42/21/558984221.db2.gz DJFLGFNUVIBWQN-KRWDZBQOSA-N 0 0 420.469 1.955 50 0 HDAARN Cc1noc(C)c1CN1CC[NH+](C[C@@H](CC(=O)Nc2ccccc2O)C(=O)[O-])CC1 ZINC000072406100 558985798 /nfs/dbraw/zinc/98/57/98/558985798.db2.gz WDQSAAIBFLEROL-MRXNPFEDSA-N 0 0 416.478 1.844 50 0 HDAARN COc1cccc(C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)c1OC ZINC000067603538 558988067 /nfs/dbraw/zinc/98/80/67/558988067.db2.gz OGHYSPNECUPWKJ-UHFFFAOYSA-N 0 0 408.462 1.950 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)cc1 ZINC000067602205 558988102 /nfs/dbraw/zinc/98/81/02/558988102.db2.gz KJQJFHGNUOHQFJ-UHFFFAOYSA-N 0 0 414.491 1.490 50 0 HDAARN CC(C)(C)OC(=O)NC1CCC(N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000097032811 558988148 /nfs/dbraw/zinc/98/81/48/558988148.db2.gz YEPQFSLMVCUHTM-UHFFFAOYSA-N 0 0 408.543 1.589 50 0 HDAARN Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1 ZINC000067604799 558988657 /nfs/dbraw/zinc/98/86/57/558988657.db2.gz HOYXVUSKYCTLJM-UHFFFAOYSA-N 0 0 402.455 1.621 50 0 HDAARN Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn2)n1 ZINC000067620901 558989553 /nfs/dbraw/zinc/98/95/53/558989553.db2.gz KMXVRTDEJKEXPM-UHFFFAOYSA-N 0 0 411.491 1.830 50 0 HDAARN O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 ZINC000067629431 558990061 /nfs/dbraw/zinc/99/00/61/558990061.db2.gz GJHTXDSGKCRTEA-UHFFFAOYSA-N 0 0 404.883 1.827 50 0 HDAARN CCCCNC(=O)CN1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000096794826 558990923 /nfs/dbraw/zinc/99/09/23/558990923.db2.gz YVTDVXMSQYQOPS-UNMCSNQZSA-N 0 0 403.567 1.975 50 0 HDAARN Cc1oc(-c2n[nH]cc2C(=O)N(C)C)cc1S(=O)(=O)N1CCN(CC(C)C)CC1 ZINC000097096105 558992009 /nfs/dbraw/zinc/99/20/09/558992009.db2.gz DWLGNTIVEORIKO-UHFFFAOYSA-N 0 0 423.539 1.642 50 0 HDAARN COc1cc(OC)cc(C(=O)N2CCCN([C@H]3CCN(CC4CC4)C3=O)CC2)c1 ZINC000097097192 558992153 /nfs/dbraw/zinc/99/21/53/558992153.db2.gz VUHGWRBJFSDMHA-FQEVSTJZSA-N 0 0 401.507 1.863 50 0 HDAARN O=C1CN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CCN1c1ccccc1 ZINC000067833616 558993544 /nfs/dbraw/zinc/99/35/44/558993544.db2.gz YOUZVBXNHZGBPP-DEOSSOPVSA-N 0 0 407.514 1.931 50 0 HDAARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000023053665 558994361 /nfs/dbraw/zinc/99/43/61/558994361.db2.gz OFOWIDXLDDAZTL-ZQDZILKHSA-N 0 0 404.467 1.898 50 0 HDAARN CN1c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097151837 558997480 /nfs/dbraw/zinc/99/74/80/558997480.db2.gz QVEQYJDBIRWUSV-GOSISDBHSA-N 0 0 414.487 1.988 50 0 HDAARN Cc1ccc(-c2nc(S[C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)n[nH]2)cc1 ZINC000023078757 558999336 /nfs/dbraw/zinc/99/93/36/558999336.db2.gz AHZGEAGGYSMOEK-JTQLQIEISA-N 0 0 400.464 1.123 50 0 HDAARN Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3nccn3C)[C@@H]4C2=O)cc1C ZINC000077319208 559001284 /nfs/dbraw/zinc/00/12/84/559001284.db2.gz ICJQRSWUNREKRF-WWOUZDQESA-N 0 0 420.513 1.978 50 0 HDAARN COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3noc(C)n3)[C@@H]4C2=O)c1 ZINC000077320878 559001301 /nfs/dbraw/zinc/00/13/01/559001301.db2.gz IWIZCLWANGMWEL-VGYLUTEMSA-N 0 0 424.457 1.327 50 0 HDAARN Cc1cccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N(C)Cc3ccncn3)[C@@H]4C2=O)c1 ZINC000077337099 559001547 /nfs/dbraw/zinc/00/15/47/559001547.db2.gz RTKJTELCCRZSLG-GJPOJAMWSA-N 0 0 404.470 1.726 50 0 HDAARN CN1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cscn2)CC3)CC1 ZINC000077424571 559004731 /nfs/dbraw/zinc/00/47/31/559004731.db2.gz ZWAUATUVVDIMRJ-UHFFFAOYSA-N 0 0 406.533 1.278 50 0 HDAARN CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N3CCNC(=O)CC3)[C@H]4C2=O)cc1 ZINC000077426774 559004822 /nfs/dbraw/zinc/00/48/22/559004822.db2.gz QIMIJLXKHDAPTN-USKVXJDGSA-N 0 0 409.486 1.445 50 0 HDAARN CN(Cc1cccnc1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1CCOC1)CC2 ZINC000077438881 559005246 /nfs/dbraw/zinc/00/52/46/559005246.db2.gz FNLQNIIVMSBAOG-GOSISDBHSA-N 0 0 415.515 1.824 50 0 HDAARN Cc1cc(F)ccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N(C)CCc2cn[nH]c2)[C@@H]3C1=O ZINC000077439110 559005288 /nfs/dbraw/zinc/00/52/88/559005288.db2.gz JWYLITILGZERTI-VWNVYAMZSA-N 0 0 410.449 1.845 50 0 HDAARN COc1cccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)N(C)Cc3ccno3)[C@@H]4C2=O)c1 ZINC000077440801 559005576 /nfs/dbraw/zinc/00/55/76/559005576.db2.gz CHMITRONMBFIPR-JYLXEMOASA-N 0 0 409.442 1.624 50 0 HDAARN 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558688778 /nfs/dbraw/zinc/68/87/78/558688778.db2.gz VUXQQTIZWLQNOT-INIZCTEOSA-N 0 0 405.495 1.700 50 0 HDAARN CCN(CC)C(=O)CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C ZINC000015019753 558703281 /nfs/dbraw/zinc/70/32/81/558703281.db2.gz SPSZAVOOISZHLY-UHFFFAOYSA-N 0 0 411.553 1.742 50 0 HDAARN COc1ccc(CCN2C(=O)O[C@@H]3CN(S(=O)(=O)N4CCCCC4)C[C@@H]32)cc1 ZINC000015065892 558708919 /nfs/dbraw/zinc/70/89/19/558708919.db2.gz MEJOOWSCOFUNFW-ZWKOTPCHSA-N 0 0 409.508 1.473 50 0 HDAARN O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)nc1 ZINC000029149519 558711030 /nfs/dbraw/zinc/71/10/30/558711030.db2.gz NLKRQIIJFNULKM-UHFFFAOYSA-N 0 0 401.897 1.747 50 0 HDAARN C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccc(Br)c2)C[C@H](C)O1 ZINC000029188791 558711592 /nfs/dbraw/zinc/71/15/92/558711592.db2.gz NDSDDXFNQTYJLE-RYUDHWBXSA-N 0 0 405.314 1.618 50 0 HDAARN COCCS(=O)(=O)c1ncc(CN2CCC[C@@H](CO)C2)n1Cc1ccccc1 ZINC000015079220 558718151 /nfs/dbraw/zinc/71/81/51/558718151.db2.gz CAXNCCFYRWWJPA-GOSISDBHSA-N 0 0 407.536 1.556 50 0 HDAARN CC(C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000004553901 558720940 /nfs/dbraw/zinc/72/09/40/558720940.db2.gz UXYKRDWTNUEUTC-KRWDZBQOSA-N 0 0 409.552 1.898 50 0 HDAARN CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000004554197 558721423 /nfs/dbraw/zinc/72/14/23/558721423.db2.gz QTZONVHDDRBWLU-QGZVFWFLSA-N 0 0 409.552 1.797 50 0 HDAARN COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC000029871182 558722885 /nfs/dbraw/zinc/72/28/85/558722885.db2.gz UMKCGBQQUBGQSG-QZTJIDSGSA-N 0 0 409.914 1.859 50 0 HDAARN Cc1ccc(F)cc1C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000029950227 558724689 /nfs/dbraw/zinc/72/46/89/558724689.db2.gz ATKXFPGZSFRFEX-GFCCVEGCSA-N 0 0 406.435 1.916 50 0 HDAARN Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1 ZINC000029983375 558725378 /nfs/dbraw/zinc/72/53/78/558725378.db2.gz QKFZCKIGUCBUSH-QGZVFWFLSA-N 0 0 417.535 1.405 50 0 HDAARN C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-c2ccccc2)cc1 ZINC000015224787 558728511 /nfs/dbraw/zinc/72/85/11/558728511.db2.gz LEQSYNHMROWFBN-HNNXBMFYSA-N 0 0 417.469 1.978 50 0 HDAARN Cc1cnc2c(cccc2S(=O)(=O)NCCNS(=O)(=O)Cc2ccccc2)c1 ZINC000030437968 558730051 /nfs/dbraw/zinc/73/00/51/558730051.db2.gz WEUMGHPDXGSREG-UHFFFAOYSA-N 0 0 419.528 1.941 50 0 HDAARN C[C@@H]1CN(C(C)(C)CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000030566833 558733090 /nfs/dbraw/zinc/73/30/90/558733090.db2.gz VGCUMYRUNBSLIG-DAYGRLMNSA-N 0 0 401.511 1.111 50 0 HDAARN O=C(NCc1ccccc1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000004569456 558737485 /nfs/dbraw/zinc/73/74/85/558737485.db2.gz XGTOVKRXKGYMPG-OAHLLOKOSA-N 0 0 407.517 1.334 50 0 HDAARN CCCCn1c(N)c(N(CCC)C(=O)CCn2c(C)csc2=O)c(=O)[nH]c1=O ZINC000030779148 558738147 /nfs/dbraw/zinc/73/81/47/558738147.db2.gz YIJKYNXRZNNUES-UHFFFAOYSA-N 0 0 409.512 1.284 50 0 HDAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(NC(C)=O)c1)N(C)CC3)OCO2 ZINC000015415511 558739270 /nfs/dbraw/zinc/73/92/70/558739270.db2.gz CFQWLKYMNQYAEC-SFHVURJKSA-N 0 0 422.445 1.935 50 0 biogenic HDAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(N)=O)N(C)CC3)OCO2 ZINC000015415000 558739301 /nfs/dbraw/zinc/73/93/01/558739301.db2.gz WNXSPLROFIGPKZ-MRXNPFEDSA-N 0 0 408.418 1.076 50 0 biogenic HDAARN Cc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1 ZINC000015513304 558742000 /nfs/dbraw/zinc/74/20/00/558742000.db2.gz MKIAGQBPRBUVMX-UHFFFAOYSA-N 0 0 405.867 1.807 50 0 HDAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)C1=O ZINC000015522251 558742437 /nfs/dbraw/zinc/74/24/37/558742437.db2.gz QGVOVWQJPQMZDL-KRWDZBQOSA-N 0 0 403.468 1.123 50 0 HDAARN CC(C)c1ccc(NC(=O)CSc2nc3c(n2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000004571047 558743805 /nfs/dbraw/zinc/74/38/05/558743805.db2.gz CMCZRVMGFZMKQQ-UHFFFAOYSA-N 0 0 401.492 1.825 50 0 HDAARN C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000015626002 558746731 /nfs/dbraw/zinc/74/67/31/558746731.db2.gz PHZQFXKLVVBJJO-SECBINFHSA-N 0 0 410.261 1.618 50 0 HDAARN COc1cccc(CNC(=O)[C@H]2CSCN2C(=O)c2c(C)c(C)nn(C)c2=O)c1 ZINC000072296536 558749588 /nfs/dbraw/zinc/74/95/88/558749588.db2.gz XQESMJPDTDKVJZ-MRXNPFEDSA-N 0 0 416.503 1.237 50 0 HDAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCC[NH+]1CCCC1)c2=O ZINC000032959238 558754924 /nfs/dbraw/zinc/75/49/24/558754924.db2.gz KVLAUFIPMZWVTM-UHFFFAOYSA-N 0 0 404.492 1.074 50 0 HDAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1OC(F)F ZINC000072302739 558755406 /nfs/dbraw/zinc/75/54/06/558755406.db2.gz DDOPIMNPOQUECL-UHFFFAOYSA-N 0 0 414.386 1.808 50 0 HDAARN O=C(NCc1cccnc1)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000011092248 558759970 /nfs/dbraw/zinc/75/99/70/558759970.db2.gz SEKHITVUKIJWCT-IBGZPJMESA-N 0 0 406.486 1.990 50 0 HDAARN COc1ccccc1C(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000015941000 558763270 /nfs/dbraw/zinc/76/32/70/558763270.db2.gz FFXCAHBROZEFTE-UHFFFAOYSA-N 0 0 420.443 1.358 50 0 HDAARN Cc1cccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000072306690 558765082 /nfs/dbraw/zinc/76/50/82/558765082.db2.gz MJHBKVGTCRVLGI-UHFFFAOYSA-N 0 0 423.535 1.702 50 0 HDAARN O=C(COc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000016035626 558769760 /nfs/dbraw/zinc/76/97/60/558769760.db2.gz QKMDQDBGGWUEPK-UHFFFAOYSA-N 0 0 420.443 1.454 50 0 HDAARN CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000016050830 558771015 /nfs/dbraw/zinc/77/10/15/558771015.db2.gz IKROHWCZGULPCW-UHFFFAOYSA-N 0 0 404.448 1.934 50 0 HDAARN COC(=O)C[C@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccc(OC)c(OC)c1 ZINC000016105219 558771896 /nfs/dbraw/zinc/77/18/96/558771896.db2.gz YPUHMHPFBYDGCI-ZDUSSCGKSA-N 0 0 419.459 1.400 50 0 HDAARN O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)N1CCOCC1 ZINC000016156212 558774119 /nfs/dbraw/zinc/77/41/19/558774119.db2.gz KZGIMZGSAGSNAW-NSIKDUERSA-N 0 0 410.835 1.964 50 0 HDAARN COc1cccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CC(=O)NC(C)C)C3)c1OC ZINC000034792630 558783911 /nfs/dbraw/zinc/78/39/11/558783911.db2.gz LMGCWGKLGARXRL-QGZVFWFLSA-N 0 0 402.451 1.021 50 0 HDAARN NC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCCC2 ZINC000034858830 558785509 /nfs/dbraw/zinc/78/55/09/558785509.db2.gz CYOSWQZSVIPKGG-UHFFFAOYSA-N 0 0 416.503 1.715 50 0 HDAARN Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000034871891 558786161 /nfs/dbraw/zinc/78/61/61/558786161.db2.gz AHJZADHFFQUOJK-UHFFFAOYSA-N 0 0 417.535 1.460 50 0 HDAARN COc1cc(C)c(CN2CCN(C(=O)CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000016333318 558786688 /nfs/dbraw/zinc/78/66/88/558786688.db2.gz YGYIESFBGVGHOT-QZTJIDSGSA-N 0 0 405.539 1.766 50 0 HDAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000032964063 558787439 /nfs/dbraw/zinc/78/74/39/558787439.db2.gz FBGRRELWELHKSZ-UHFFFAOYSA-N 0 0 424.457 1.988 50 0 HDAARN COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000035452986 558792217 /nfs/dbraw/zinc/79/22/17/558792217.db2.gz OVYOQXWWRDOPSI-UHFFFAOYSA-N 0 0 407.467 1.779 50 0 HDAARN CCOC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000035802721 558795295 /nfs/dbraw/zinc/79/52/95/558795295.db2.gz UMIYDHMQSOYYBZ-OAHLLOKOSA-N 0 0 409.508 1.495 50 0 HDAARN C[C@H](NC(=O)CN1C(=O)N[C@H](CCS(C)(=O)=O)C1=O)c1ccc2ccccc2c1 ZINC000016573955 558795878 /nfs/dbraw/zinc/79/58/78/558795878.db2.gz FTXCDDZVRDXJQS-SUMWQHHRSA-N 0 0 417.487 1.372 50 0 HDAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036227539 558798273 /nfs/dbraw/zinc/79/82/73/558798273.db2.gz KNQDHWMHVAYJFM-UHFFFAOYSA-N 0 0 407.467 1.779 50 0 HDAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)COC)CC1 ZINC000036210359 558798297 /nfs/dbraw/zinc/79/82/97/558798297.db2.gz MMHIILPQLGMFNP-YWZLYKJASA-N 0 0 419.522 1.593 50 0 HDAARN Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 ZINC000068203488 558805843 /nfs/dbraw/zinc/80/58/43/558805843.db2.gz ADGGYDAFIHSYFI-UHFFFAOYSA-N 0 0 411.388 1.208 50 0 in-vitro HDAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccc(C(N)=O)cc1 ZINC000016812084 558807760 /nfs/dbraw/zinc/80/77/60/558807760.db2.gz YKSAPAKFCLFOTF-SFHVURJKSA-N 0 0 402.472 1.605 50 0 HDAARN CNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000032988458 558808225 /nfs/dbraw/zinc/80/82/25/558808225.db2.gz AZFRVRKYXKCOHU-UHFFFAOYSA-N 0 0 419.459 1.125 50 0 HDAARN O=C(N[C@H](O)C(Br)(Br)Br)c1cccnc1 ZINC000071769939 558808370 /nfs/dbraw/zinc/80/83/70/558808370.db2.gz QNOWWNRIKDQEAY-SSDOTTSWSA-N 0 0 402.868 1.968 50 0 HDAARN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN2CCOCC2)s1 ZINC000032995369 558809555 /nfs/dbraw/zinc/80/95/55/558809555.db2.gz NIKXBXGSOOOUIZ-UHFFFAOYSA-N 0 0 417.535 1.870 50 0 HDAARN COC(=O)[C@H]1COS(=O)(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000038518578 558811790 /nfs/dbraw/zinc/81/17/90/558811790.db2.gz RTHSATBSXDKZBN-QGZVFWFLSA-N 0 0 407.444 1.912 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccnc3)CC2)cc1OC ZINC000017067601 558813475 /nfs/dbraw/zinc/81/34/75/558813475.db2.gz YSLIARJAIGSAKN-UHFFFAOYSA-N 0 0 420.491 1.315 50 0 HDAARN CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)CCCCC1 ZINC000039518771 558822030 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/nfs/dbraw/zinc/43/27/17/568432717.db2.gz BKGGQZHLCGFJQW-LBPRGKRZSA-N 0 0 411.510 1.643 50 0 HDAARN CC[C@H](C(=O)Nc1cc(C)on1)N1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000048260627 568433598 /nfs/dbraw/zinc/43/35/98/568433598.db2.gz AOAZNCKFKLYJID-MRXNPFEDSA-N 0 0 401.515 1.836 50 0 HDAARN Cc1ccc(-c2nn(CN(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)c(=S)o2)cc1C ZINC000048290909 568435346 /nfs/dbraw/zinc/43/53/46/568435346.db2.gz UKQGRYSHCWIROR-HNNXBMFYSA-N 0 0 424.548 1.682 50 0 HDAARN C[C@]1(NC(=O)Cn2c3ccccc3n(C3=CCCCC3)c2=O)CCS(=O)(=O)C1 ZINC000048276898 568435614 /nfs/dbraw/zinc/43/56/14/568435614.db2.gz QICSDVARFCKTCU-FQEVSTJZSA-N 0 0 403.504 1.911 50 0 HDAARN CCCC(=O)NC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 ZINC000048279382 568435822 /nfs/dbraw/zinc/43/58/22/568435822.db2.gz XTCKPDOMRYZWQS-SFHVURJKSA-N 0 0 402.474 1.812 50 0 HDAARN COc1ccc(OC)c(N2C[C@H](C(=O)NCC(=O)Nc3nccs3)CC2=O)c1 ZINC000048302189 568437688 /nfs/dbraw/zinc/43/76/88/568437688.db2.gz HQMPYWQCLWDKDT-LLVKDONJSA-N 0 0 404.448 1.268 50 0 HDAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000048324583 568438355 /nfs/dbraw/zinc/43/83/55/568438355.db2.gz CPKWLNJRRFZKQF-IBGZPJMESA-N 0 0 412.442 1.535 50 0 HDAARN O=C(CCn1nnc2ccccc2c1=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000048341931 568440519 /nfs/dbraw/zinc/44/05/19/568440519.db2.gz FQCUJIZSUQFFBO-UHFFFAOYSA-N 0 0 407.430 1.293 50 0 HDAARN O=C(CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12)NC[C@H]1CCCO1 ZINC000048987656 568443957 /nfs/dbraw/zinc/44/39/57/568443957.db2.gz XFJJGXRTWOKURH-CQSZACIVSA-N 0 0 403.439 1.407 50 0 HDAARN O=C(CSc1cnn(CC(=O)N2CCc3ccccc32)c(=O)c1Cl)NC1CC1 ZINC000049401143 568447729 /nfs/dbraw/zinc/44/77/29/568447729.db2.gz KVROXJTZYTXWSB-UHFFFAOYSA-N 0 0 418.906 1.857 50 0 HDAARN COc1cccc(CNC(=O)Cn2c3csnc3c(=O)n(CC(C)C)c2=O)c1 ZINC000049403818 568448309 /nfs/dbraw/zinc/44/83/09/568448309.db2.gz VQJKQCZMXGYZLZ-UHFFFAOYSA-N 0 0 402.476 1.601 50 0 HDAARN O=c1n(CCOc2ccc(F)cc2)nc2ccc(S(=O)(=O)N3CCCC3)cn21 ZINC000049407807 568449266 /nfs/dbraw/zinc/44/92/66/568449266.db2.gz GCTIFHKZLQFABO-UHFFFAOYSA-N 0 0 406.439 1.499 50 0 HDAARN O=c1n(Cc2ccc(Cl)cc2)nc2ccc(S(=O)(=O)N3CCOCC3)cn21 ZINC000049408116 568449346 /nfs/dbraw/zinc/44/93/46/568449346.db2.gz GXMVRYRGJIJCNE-UHFFFAOYSA-N 0 0 408.867 1.219 50 0 HDAARN COc1cccc(CNC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)c1 ZINC000049409075 568449545 /nfs/dbraw/zinc/44/95/45/568449545.db2.gz SDTXWZGJKSVQPB-UHFFFAOYSA-N 0 0 419.503 1.348 50 0 HDAARN O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)NCc1ccc(F)cc1 ZINC000049410486 568449894 /nfs/dbraw/zinc/44/98/94/568449894.db2.gz UHLUMYVXEJUQLZ-UHFFFAOYSA-N 0 0 407.467 1.478 50 0 HDAARN COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000049421680 568450697 /nfs/dbraw/zinc/45/06/97/568450697.db2.gz KUUQNAURCSTTAZ-UHFFFAOYSA-N 0 0 417.418 1.863 50 0 HDAARN O=C(CCn1cnc2ccccc2c1=O)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049482842 568450935 /nfs/dbraw/zinc/45/09/35/568450935.db2.gz ZLVPNVPTIUQFLP-UHFFFAOYSA-N 0 0 403.402 1.253 50 0 HDAARN COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C ZINC000012231840 568453869 /nfs/dbraw/zinc/45/38/69/568453869.db2.gz HDZYKHCKPGLZKB-UHFFFAOYSA-N 0 0 408.462 1.394 50 0 HDAARN CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C)n1 ZINC000012232118 568454005 /nfs/dbraw/zinc/45/40/05/568454005.db2.gz WNGVOPCHHUUAQA-UHFFFAOYSA-N 0 0 410.453 1.932 50 0 HDAARN COCCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233337 568454596 /nfs/dbraw/zinc/45/45/96/568454596.db2.gz FOJPPPRNBHODGI-AWEZNQCLSA-N 0 0 417.466 1.911 50 0 HDAARN COc1ccc(N2CCn3c2nnc(C(=O)NCc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000012233951 568454769 /nfs/dbraw/zinc/45/47/69/568454769.db2.gz SAJKPQFLFFAIDN-UHFFFAOYSA-N 0 0 421.413 1.457 50 0 HDAARN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000012263166 568456929 /nfs/dbraw/zinc/45/69/29/568456929.db2.gz WERILZSNPUQELY-UHFFFAOYSA-N 0 0 412.471 1.965 50 0 HDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000000648938 568457549 /nfs/dbraw/zinc/45/75/49/568457549.db2.gz IWYXOZZZRGKMJU-BXBHGGAKSA-N 0 0 408.483 1.450 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCN(Cc3nn4c(nc(C)cc4=O)s3)CC2)cc1 ZINC000020962157 568460793 /nfs/dbraw/zinc/46/07/93/568460793.db2.gz IQGYMKBFDBGPSH-UHFFFAOYSA-N 0 0 419.532 1.274 50 0 HDAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1 ZINC000012302152 568464167 /nfs/dbraw/zinc/46/41/67/568464167.db2.gz QHBDAYKPJXOZIS-QFIPXVFZSA-N 0 0 421.545 1.605 50 0 HDAARN COCCn1cnc2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2c1=O ZINC000218204594 568476407 /nfs/dbraw/zinc/47/64/07/568476407.db2.gz ROAUMLPMUOKLET-HNNXBMFYSA-N 0 0 408.462 1.688 50 0 HDAARN CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000000785161 568476971 /nfs/dbraw/zinc/47/69/71/568476971.db2.gz PQTHVKCHFIXDFC-UHFFFAOYSA-N 0 0 407.414 1.195 50 0 HDAARN Cn1c2nc(N3CCOCC3)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000000789659 568478895 /nfs/dbraw/zinc/47/88/95/568478895.db2.gz PQWWUSIQPBQMPF-UHFFFAOYSA-N 0 0 423.395 1.337 50 0 biogenic HDAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000007654805 568483487 /nfs/dbraw/zinc/48/34/87/568483487.db2.gz SGGNKTWUQKSKAQ-UHFFFAOYSA-N 0 0 409.489 1.969 50 0 HDAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 ZINC000008087000 568490463 /nfs/dbraw/zinc/49/04/63/568490463.db2.gz FHRRNTQNDRNJLR-UHFFFAOYSA-N 0 0 400.479 1.873 50 0 HDAARN COc1cc2c(cc1OC)CN(C(=O)CN1Cc3ccccc3C1=O)[C@H](C(N)=O)C2 ZINC000604404824 568492401 /nfs/dbraw/zinc/49/24/01/568492401.db2.gz SNXVURCUNJBKJF-KRWDZBQOSA-N 0 0 409.442 1.098 50 0 biogenic HDAARN NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000000812712 568493693 /nfs/dbraw/zinc/49/36/93/568493693.db2.gz WDMSIOXORLDUFD-UHFFFAOYSA-N 0 0 405.863 1.808 50 0 HDAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(N)=O)CC2)c(F)c1 ZINC000022617939 568495642 /nfs/dbraw/zinc/49/56/42/568495642.db2.gz QFZZPCOQOZVHPH-IBGZPJMESA-N 0 0 412.465 1.957 50 0 HDAARN Cc1cccc(-n2ncc3c2nc2n(c3=O)[C@H](CC(=O)N3CCN(C)CC3)CS2)c1 ZINC000022768354 568499300 /nfs/dbraw/zinc/49/93/00/568499300.db2.gz UWHPSABTKYGHSQ-MRXNPFEDSA-N 0 0 424.530 1.702 50 0 HDAARN COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)c1 ZINC000031284076 568503370 /nfs/dbraw/zinc/50/33/70/568503370.db2.gz PDXAPEYMERAGFB-QGZVFWFLSA-N 0 0 411.458 1.621 50 0 HDAARN COCCn1c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1=O ZINC000020116993 568589507 /nfs/dbraw/zinc/58/95/07/568589507.db2.gz AEDCARUUQQJUDP-UHFFFAOYSA-N 0 0 422.485 1.294 50 0 HDAARN CSCC[C@@H](NC(C)=O)C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000390830174 568592182 /nfs/dbraw/zinc/59/21/82/568592182.db2.gz JGLPUTPINHFVEE-MRXNPFEDSA-N 0 0 403.508 1.213 50 0 HDAARN CCCn1nc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)ccc1=O ZINC000095347458 568599982 /nfs/dbraw/zinc/59/99/82/568599982.db2.gz RQDOLEAEZFYILR-GOSISDBHSA-N 0 0 417.897 1.291 50 0 HDAARN CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H]2CCOC2=O)c1 ZINC000095349045 568600500 /nfs/dbraw/zinc/60/05/00/568600500.db2.gz BCTXHWPQIOIBNK-GFCCVEGCSA-N 0 0 420.281 1.998 50 0 HDAARN CS(=O)(=O)NC[C@@H]1CCCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000095369588 568602936 /nfs/dbraw/zinc/60/29/36/568602936.db2.gz YRTCYTYBZCULAV-NSHDSACASA-N 0 0 405.314 1.939 50 0 HDAARN COc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c2=O)c1 ZINC000020411399 568605245 /nfs/dbraw/zinc/60/52/45/568605245.db2.gz CSLMAAAYLSBWRZ-LJQANCHMSA-N 0 0 404.426 1.956 50 0 biogenic HDAARN COCCOCCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000095408940 568606534 /nfs/dbraw/zinc/60/65/34/568606534.db2.gz HOGSUPQBUJBKHB-UHFFFAOYSA-N 0 0 413.359 1.480 50 0 HDAARN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)NCC(=O)N1CCCC1 ZINC000095432459 568609366 /nfs/dbraw/zinc/60/93/66/568609366.db2.gz AMEPHGOTLUELJB-WIYYLYMNSA-N 0 0 415.582 1.661 50 0 HDAARN COC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095445204 568611623 /nfs/dbraw/zinc/61/16/23/568611623.db2.gz WOWJPNQTQXDSII-NSHDSACASA-N 0 0 423.413 1.283 50 0 HDAARN CN(C)c1nc2cc(C(=O)N[C@]3(C(N)=O)CCCOC3)sc2n1-c1ccccc1 ZINC000095446406 568611944 /nfs/dbraw/zinc/61/19/44/568611944.db2.gz FBMPVOVFGDHXOJ-HXUWFJFHSA-N 0 0 413.503 1.917 50 0 HDAARN C[C@@H]1CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)=NO1 ZINC000095448371 568612731 /nfs/dbraw/zinc/61/27/31/568612731.db2.gz ZRLPAPNICNDHTE-SECBINFHSA-N 0 0 422.290 1.866 50 0 HDAARN CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1 ZINC000020486999 568613515 /nfs/dbraw/zinc/61/35/15/568613515.db2.gz BBLYBALSUFJUGN-UHFFFAOYSA-N 0 0 407.536 1.820 50 0 HDAARN COc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000020491467 568614611 /nfs/dbraw/zinc/61/46/11/568614611.db2.gz WPZNFNGEVXEDQI-UHFFFAOYSA-N 0 0 403.460 1.537 50 0 HDAARN CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1OCCO ZINC000095453139 568615581 /nfs/dbraw/zinc/61/55/81/568615581.db2.gz LRBPHAZZKGELKO-UHFFFAOYSA-N 0 0 406.504 1.323 50 0 HDAARN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1 ZINC000095456791 568617981 /nfs/dbraw/zinc/61/79/81/568617981.db2.gz IBPABMLGVUMGCQ-UHFFFAOYSA-N 0 0 402.495 1.151 50 0 HDAARN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@H]2CCCSC2)CC1 ZINC000095457051 568618082 /nfs/dbraw/zinc/61/80/82/568618082.db2.gz REJSTIMKEXNXKP-HNNXBMFYSA-N 0 0 418.606 1.600 50 0 HDAARN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)N2CCN(C)CC2)CC1 ZINC000095464883 568622866 /nfs/dbraw/zinc/62/28/66/568622866.db2.gz LOGLJDQNZIOTAW-OALUTQOASA-N 0 0 418.582 1.426 50 0 HDAARN Cc1nnc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1C1CC1 ZINC000095467330 568624584 /nfs/dbraw/zinc/62/45/84/568624584.db2.gz FFKJMRKDZYGODJ-KRWDZBQOSA-N 0 0 403.508 1.781 50 0 HDAARN Cc1nc([C@H]2CN(C(=O)CCNC(=O)NC34CC5CC(CC(C5)C3)C4)CCO2)no1 ZINC000095468247 568625009 /nfs/dbraw/zinc/62/50/09/568625009.db2.gz GMDJWKUSKUXVNU-JRQWYPPZSA-N 0 0 417.510 1.936 50 0 HDAARN CC(C)N(C[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C ZINC000040152923 568625505 /nfs/dbraw/zinc/62/55/05/568625505.db2.gz QMIDRUPTAZWLIY-MRXNPFEDSA-N 0 0 405.561 1.921 50 0 HDAARN CC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000020529655 568626220 /nfs/dbraw/zinc/62/62/20/568626220.db2.gz XLZAWZZAFGCHNX-KBPBESRZSA-N 0 0 407.536 1.957 50 0 HDAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cn[nH]n3)[C@H]2C(C)C)cc1 ZINC000095471397 568626700 /nfs/dbraw/zinc/62/67/00/568626700.db2.gz COAQWVUCTHKKMI-QGZVFWFLSA-N 0 0 409.537 1.720 50 0 HDAARN Cc1ccc(N(C)CCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000095472005 568627393 /nfs/dbraw/zinc/62/73/93/568627393.db2.gz VYFBVDYQMQGIMY-LJQANCHMSA-N 0 0 403.504 1.775 50 0 HDAARN Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(=O)Oc2cc(C)[nH]c(=O)c21 ZINC000095473481 568628931 /nfs/dbraw/zinc/62/89/31/568628931.db2.gz VHDDWSYPSUZGMK-ORAYPTAESA-N 0 0 405.476 1.471 50 0 HDAARN COCCn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)cc2c1=O ZINC000095476792 568630813 /nfs/dbraw/zinc/63/08/13/568630813.db2.gz SUCSYOHSECVKOJ-CQSZACIVSA-N 0 0 410.430 1.623 50 0 HDAARN COc1ccc(C2(CNC(=O)CCN3C(=O)c4cccnc4C3=O)CCOCC2)cc1 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50 0 HDAARN Cn1nc(C(=O)NCCCN2CCCC2=O)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000020902296 568650430 /nfs/dbraw/zinc/65/04/30/568650430.db2.gz MUCQVPGSJLGYPI-UHFFFAOYSA-N 0 0 402.476 1.117 50 0 HDAARN CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCCO1 ZINC000225601013 568655946 /nfs/dbraw/zinc/65/59/46/568655946.db2.gz BKNDBXGYLXTLSJ-OAHLLOKOSA-N 0 0 412.508 1.357 50 0 HDAARN COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000020994429 568656393 /nfs/dbraw/zinc/65/63/93/568656393.db2.gz FNCTXDSMYTUQDD-UHFFFAOYSA-N 0 0 421.431 1.398 50 0 HDAARN O=C(NCCCN1CCCC1=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026379 568658843 /nfs/dbraw/zinc/65/88/43/568658843.db2.gz JWAGNMWFWUFIRB-CQSZACIVSA-N 0 0 420.539 1.010 50 0 HDAARN Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000021031123 568659259 /nfs/dbraw/zinc/65/92/59/568659259.db2.gz GQQGICXGQPBVFC-CYBMUJFWSA-N 0 0 406.464 1.231 50 0 HDAARN C[C@@H](N[C@H](C)c1nc(-c2cccnc2)cs1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000095941315 568662177 /nfs/dbraw/zinc/66/21/77/568662177.db2.gz IGGWLJDDJLBGBP-GHMZBOCLSA-N 0 0 414.491 1.107 50 0 HDAARN Cc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)c3ccco3)CC1)OCC(=O)N2 ZINC000021108441 568667744 /nfs/dbraw/zinc/66/77/44/568667744.db2.gz FUOROQHFYRREFR-UHFFFAOYSA-N 0 0 405.432 1.066 50 0 HDAARN COCCN(CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)Cc1ccco1 ZINC000021108520 568667844 /nfs/dbraw/zinc/66/78/44/568667844.db2.gz IDGALZPLQXMCDL-UHFFFAOYSA-N 0 0 423.491 1.346 50 0 HDAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCCCC1 ZINC000021112306 568668397 /nfs/dbraw/zinc/66/83/97/568668397.db2.gz CYPCXRIXZIGAII-UHFFFAOYSA-N 0 0 405.520 1.667 50 0 HDAARN COC(=O)c1ccc(C)c(NC(=O)CNc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000095960390 568669911 /nfs/dbraw/zinc/66/99/11/568669911.db2.gz GJZSKBZCTFGAKG-UHFFFAOYSA-N 0 0 406.460 1.598 50 0 HDAARN CC(C)N1C(=O)C[C@@H](NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O ZINC000095963541 568670531 /nfs/dbraw/zinc/67/05/31/568670531.db2.gz XVVXCHBLLBYVPN-MRXNPFEDSA-N 0 0 407.417 1.469 50 0 HDAARN CCOc1ccccc1NC(=O)c1cnc2sc(N3CCOCC3)nn2c1=O ZINC000021161800 568674540 /nfs/dbraw/zinc/67/45/40/568674540.db2.gz MQHXKDWCBQUDLC-UHFFFAOYSA-N 0 0 401.448 1.639 50 0 HDAARN CC(=O)Nc1ncc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)s1 ZINC000225833376 568679272 /nfs/dbraw/zinc/67/92/72/568679272.db2.gz RXLXIPPSRLSDED-UHFFFAOYSA-N 0 0 408.505 1.685 50 0 HDAARN CC(=O)NCc1ccc(C(=O)N2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)cc1 ZINC000095998227 568679376 /nfs/dbraw/zinc/67/93/76/568679376.db2.gz LWYONYSLUIZLBD-FQEVSTJZSA-N 0 0 400.523 1.480 50 0 HDAARN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)Nc1ccn(CC(N)=O)n1 ZINC000225854411 568681021 /nfs/dbraw/zinc/68/10/21/568681021.db2.gz SXCBDWFCXHULJH-UHFFFAOYSA-N 0 0 407.430 1.833 50 0 HDAARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cnn(C)c1 ZINC000096000368 568681131 /nfs/dbraw/zinc/68/11/31/568681131.db2.gz SYJYHZJRQVFXRU-GOSISDBHSA-N 0 0 401.492 1.985 50 0 HDAARN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(S(=O)(=O)CC2CCCCC2)C1 ZINC000096000382 568681161 /nfs/dbraw/zinc/68/11/61/568681161.db2.gz JOUDSZFWJCXJTB-AWEZNQCLSA-N 0 0 404.558 1.871 50 0 HDAARN Cn1ccc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cc1=O ZINC000096001386 568681401 /nfs/dbraw/zinc/68/14/01/568681401.db2.gz JNQRRKMMAHUNBN-FQEVSTJZSA-N 0 0 408.502 1.334 50 0 HDAARN COc1cc(OC)cc(C2=N/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C(=O)O2)c1 ZINC000096019413 568685705 /nfs/dbraw/zinc/68/57/05/568685705.db2.gz AXULRWSEPXPGQK-OMCISZLKSA-N 0 0 412.398 1.921 50 0 HDAARN COc1ccc(-n2nc3c(c2NC(=O)C(=O)N2CCN(C)CC2)CSC3)cc1 ZINC000021264415 568685760 /nfs/dbraw/zinc/68/57/60/568685760.db2.gz RQLYBALZJIICRQ-UHFFFAOYSA-N 0 0 401.492 1.340 50 0 HDAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cccc(-n2cnnn2)c1 ZINC000096096606 568689056 /nfs/dbraw/zinc/68/90/56/568689056.db2.gz MOESGSHONCOADB-UHFFFAOYSA-N 0 0 422.474 1.514 50 0 HDAARN CO[C@@]1(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CCSC1 ZINC000096097714 568689556 /nfs/dbraw/zinc/68/95/56/568689556.db2.gz NFNOSOHCRIGJSW-MRXNPFEDSA-N 0 0 420.578 1.417 50 0 HDAARN Cc1nc(-c2cccnc2)sc1C(=O)NCCn1nc(-n2cncn2)ccc1=O ZINC000096097965 568689654 /nfs/dbraw/zinc/68/96/54/568689654.db2.gz XXCXPFCGVXOLAF-UHFFFAOYSA-N 0 0 408.447 1.081 50 0 HDAARN CS(=O)(=O)N1CCC(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)CC1 ZINC000096103751 568691901 /nfs/dbraw/zinc/69/19/01/568691901.db2.gz YOBVYNSTKSPTSD-UHFFFAOYSA-N 0 0 408.446 1.567 50 0 HDAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096114287 568693791 /nfs/dbraw/zinc/69/37/91/568693791.db2.gz NRVPRWKXIRJMPL-SFHVURJKSA-N 0 0 417.425 1.592 50 0 biogenic HDAARN Cn1nnc(-c2cccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)n1 ZINC000096114955 568694513 /nfs/dbraw/zinc/69/45/13/568694513.db2.gz XCUYUNFMPRKELB-DZKIICNBSA-N 0 0 401.496 1.541 50 0 biogenic HDAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cc(OC)c3c(c2)OCCO3)o1 ZINC000096115202 568694807 /nfs/dbraw/zinc/69/48/07/568694807.db2.gz OMTOKDKBICGIRQ-ZDUSSCGKSA-N 0 0 406.387 1.967 50 0 biogenic HDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000012391842 568695828 /nfs/dbraw/zinc/69/58/28/568695828.db2.gz FWHOFWUAUBTRSP-MRXNPFEDSA-N 0 0 408.501 1.082 50 0 HDAARN COc1cc2nc(C)n(CC(=O)NCCc3nc4ccccc4[nH]3)c(=O)c2cc1OC ZINC000096117315 568696637 /nfs/dbraw/zinc/69/66/37/568696637.db2.gz YISMNDUTOQNGHO-UHFFFAOYSA-N 0 0 421.457 1.957 50 0 HDAARN CCOC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1 ZINC000096118805 568698469 /nfs/dbraw/zinc/69/84/69/568698469.db2.gz MWQPWLXMRQFWTJ-KRWDZBQOSA-N 0 0 416.478 1.230 50 0 HDAARN O=S(=O)(NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc2cccnc21 ZINC000096120433 568699363 /nfs/dbraw/zinc/69/93/63/568699363.db2.gz GZIUMARYAXRRHQ-UHFFFAOYSA-N 0 0 409.533 1.717 50 0 HDAARN CCSc1nnc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)s1 ZINC000096124116 568700609 /nfs/dbraw/zinc/70/06/09/568700609.db2.gz XSEBLPSCHCVVIO-LLVKDONJSA-N 0 0 417.524 1.876 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCC(C)CC1 ZINC000096125662 568701334 /nfs/dbraw/zinc/70/13/34/568701334.db2.gz FHSYDDNGPPEOJP-UHFFFAOYSA-N 0 0 410.536 1.907 50 0 HDAARN Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(S(=O)(=O)C(C)C)CC3)CC(=O)N2C)cc1 ZINC000096181272 568702322 /nfs/dbraw/zinc/70/23/22/568702322.db2.gz QUKJRAWSKKWYCI-HKUYNNGSSA-N 0 0 407.536 1.397 50 0 HDAARN COc1ccc(CCN2C(=O)CNC23CCN(C(=O)C2CCC2)CC3)cc1OC ZINC000096210920 568704615 /nfs/dbraw/zinc/70/46/15/568704615.db2.gz LVMMJYQNHYSCFS-UHFFFAOYSA-N 0 0 401.507 1.797 50 0 HDAARN COc1ccc(CCN2C(=O)CNC23CCN(C(=O)c2ccco2)CC3)cc1OC ZINC000096210919 568704757 /nfs/dbraw/zinc/70/47/57/568704757.db2.gz NXDRBUKMVPVSLY-UHFFFAOYSA-N 0 0 413.474 1.904 50 0 HDAARN COc1ccc(CNC(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096221352 568705250 /nfs/dbraw/zinc/70/52/50/568705250.db2.gz KQQNMHJBLGMXDG-INIZCTEOSA-N 0 0 411.414 1.551 50 0 biogenic HDAARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCc3ccccn3)C2=O)cc1OC ZINC000096222431 568705773 /nfs/dbraw/zinc/70/57/73/568705773.db2.gz BMYXCYCVANWOFA-INIZCTEOSA-N 0 0 412.446 1.268 50 0 biogenic HDAARN Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCCN1CCOCC1 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406.446 1.926 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c3ccnn3ccc2=O)cc1 ZINC000225824559 568677982 /nfs/dbraw/zinc/67/79/82/568677982.db2.gz DFJLWQDWGVZIGR-UHFFFAOYSA-N 0 0 403.464 1.165 50 0 HDAARN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000007967569 568680577 /nfs/dbraw/zinc/68/05/77/568680577.db2.gz VBCPKYYZXRPNNK-GFCCVEGCSA-N 0 0 407.319 1.688 50 0 HDAARN COC(=O)c1cn(-c2cccc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)c2)nn1 ZINC000225850621 568680590 /nfs/dbraw/zinc/68/05/90/568680590.db2.gz BSXBUHFHAAGLRE-UHFFFAOYSA-N 0 0 424.417 1.637 50 0 HDAARN O=C(CN1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1)NCc1cccnc1 ZINC000095999716 568680749 /nfs/dbraw/zinc/68/07/49/568680749.db2.gz OHZIZQXZZAQVOW-OAQYLSRUSA-N 0 0 407.518 1.511 50 0 HDAARN O=C(CCN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)N1CCOCC1 ZINC000095999755 568680888 /nfs/dbraw/zinc/68/08/88/568680888.db2.gz OARHNOWXTUINAA-FQEVSTJZSA-N 0 0 400.523 1.049 50 0 HDAARN COc1ccc2cc(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3=O)[nH]c2c1 ZINC000096004683 568682348 /nfs/dbraw/zinc/68/23/48/568682348.db2.gz UHPRHTPJUZDENT-KRWDZBQOSA-N 0 0 400.479 1.230 50 0 HDAARN CNC(=O)[C@H](C)CN(C)c1nc2ccc(Cl)cc2c(N(C)C[C@H](C)C(=O)NC)n1 ZINC000096011598 568684245 /nfs/dbraw/zinc/68/42/45/568684245.db2.gz HGEQYTVEDWVAJC-QWHCGFSZSA-N 0 0 420.945 1.920 50 0 HDAARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096099488 568690375 /nfs/dbraw/zinc/69/03/75/568690375.db2.gz FGWGJMBKGQOHNH-UHFFFAOYSA-N 0 0 415.512 1.803 50 0 HDAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 ZINC000096099656 568690742 /nfs/dbraw/zinc/69/07/42/568690742.db2.gz FXDSYGBJUPMOPZ-UHFFFAOYSA-N 0 0 418.928 1.404 50 0 HDAARN COc1ccc(-c2nn([C@H](C)C(=O)NCCCn3cccn3)c(=O)cc2OC)cc1 ZINC000096101002 568690975 /nfs/dbraw/zinc/69/09/75/568690975.db2.gz QVEMQKXTPQFONK-OAHLLOKOSA-N 0 0 411.462 1.892 50 0 HDAARN COC(=O)c1ccccc1NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000096105211 568692696 /nfs/dbraw/zinc/69/26/96/568692696.db2.gz WFRYRUZVYDRQEN-UHFFFAOYSA-N 0 0 407.434 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CC(C)CS(=O)(=O)C1CN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000096121995 568699979 /nfs/dbraw/zinc/69/99/79/568699979.db2.gz CJSUGTCLRLCUDX-UHFFFAOYSA-N 0 0 422.956 1.290 50 0 HDAARN CCn1c(SCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CC2)nnc1-c1ccco1 ZINC000012400670 568700144 /nfs/dbraw/zinc/70/01/44/568700144.db2.gz AAPGZYMJGAVRHT-JTQLQIEISA-N 0 0 407.452 1.570 50 0 HDAARN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124079 568700546 /nfs/dbraw/zinc/70/05/46/568700546.db2.gz XJISTGZTPNCRDW-AWEZNQCLSA-N 0 0 407.434 1.699 50 0 HDAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 ZINC000096124078 568700656 /nfs/dbraw/zinc/70/06/56/568700656.db2.gz XJISTGZTPNCRDW-CQSZACIVSA-N 0 0 407.434 1.699 50 0 HDAARN Cc1cc(CNS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(Cl)c2)n(C)n1 ZINC000096193149 568703605 /nfs/dbraw/zinc/70/36/05/568703605.db2.gz FZFJMGZEBMYPCR-UHFFFAOYSA-N 0 0 400.888 1.327 50 0 HDAARN COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3cccnc3)C2=O)cc1OC ZINC000096222258 568705524 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1.903 50 0 HDAARN CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCCc3ccco3)cc2C(=O)N1C ZINC000021530984 568710859 /nfs/dbraw/zinc/71/08/59/568710859.db2.gz FXPWGRRBKNJWPW-OAQYLSRUSA-N 0 0 415.494 1.455 50 0 HDAARN Cc1cc(CN2CCN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CC2)no1 ZINC000024993176 568711609 /nfs/dbraw/zinc/71/16/09/568711609.db2.gz HHVHWUDHLOUEJU-UHFFFAOYSA-N 0 0 413.522 1.572 50 0 HDAARN C[C@H](Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1sccc1C(N)=O ZINC000018533872 568716019 /nfs/dbraw/zinc/71/60/19/568716019.db2.gz LWFLQLLVYDEXDK-VIFPVBQESA-N 0 0 414.534 1.612 50 0 HDAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000096279726 568717852 /nfs/dbraw/zinc/71/78/52/568717852.db2.gz IGBRKNDXWWXDKK-KDURUIRLSA-N 0 0 412.490 1.302 50 0 HDAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)NC1CC1 ZINC000014236654 568722094 /nfs/dbraw/zinc/72/20/94/568722094.db2.gz LPYGRDXAZFKGNL-MGPQQGTHSA-N 0 0 410.492 1.308 50 0 HDAARN COCc1nc(C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(OC)cc1 ZINC000096317408 568726643 /nfs/dbraw/zinc/72/66/43/568726643.db2.gz UWMFCEZFPIDNMM-UHFFFAOYSA-N 0 0 420.535 1.612 50 0 HDAARN CCN1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccccc3F)c2=O)CC1 ZINC000096318194 568727096 /nfs/dbraw/zinc/72/70/96/568727096.db2.gz GKGQPDITTJUSDJ-UHFFFAOYSA-N 0 0 424.476 1.764 50 0 HDAARN COc1ccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)c(OC)c1 ZINC000096320009 568728332 /nfs/dbraw/zinc/72/83/32/568728332.db2.gz KPCOTUUCUCDHKB-UHFFFAOYSA-N 0 0 423.491 1.922 50 0 HDAARN COc1ccc(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)c(OC)c1 ZINC000096321700 568729355 /nfs/dbraw/zinc/72/93/55/568729355.db2.gz IJDJPNWMXUFYCA-UHFFFAOYSA-N 0 0 424.461 1.700 50 0 HDAARN C[C@@H]1CN(C(=O)CN(CC(=O)N2C[C@H](C)OC[C@@H]2C)Cc2cccnc2)[C@@H](C)CO1 ZINC000241326139 568731051 /nfs/dbraw/zinc/73/10/51/568731051.db2.gz LZNMGBAEWSRIJA-CADBVGFASA-N 0 0 418.538 1.155 50 0 HDAARN COc1cc(OC)cc(C(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)c1 ZINC000096332996 568736444 /nfs/dbraw/zinc/73/64/44/568736444.db2.gz UGANCIHJWLXREJ-UHFFFAOYSA-N 0 0 409.446 1.308 50 0 HDAARN CNC(=O)CS(=O)(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000096377141 568740778 /nfs/dbraw/zinc/74/07/78/568740778.db2.gz SHYLLJRWPWBFFR-UHFFFAOYSA-N 0 0 417.325 1.143 50 0 HDAARN Cc1cc(C)n(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)n2N)n1 ZINC000018806321 568741283 /nfs/dbraw/zinc/74/12/83/568741283.db2.gz GEZCTDINOPXBRA-GFCCVEGCSA-N 0 0 415.479 1.493 50 0 HDAARN CC(C)Cn1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccn3)CC2)c1=O ZINC000096396732 568745212 /nfs/dbraw/zinc/74/52/12/568745212.db2.gz PTGZLDBNSZAEGG-UHFFFAOYSA-N 0 0 414.491 1.572 50 0 HDAARN COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000021716179 568749776 /nfs/dbraw/zinc/74/97/76/568749776.db2.gz ZNQWRVOJMVNIGD-QGZVFWFLSA-N 0 0 423.535 1.149 50 0 HDAARN CCCc1cc(=O)n2nc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)sc2n1 ZINC000021782529 568752803 /nfs/dbraw/zinc/75/28/03/568752803.db2.gz ZKRWBBKDIACCCJ-HNNXBMFYSA-N 0 0 405.524 1.615 50 0 HDAARN O=C(N1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000025148335 568752889 /nfs/dbraw/zinc/75/28/89/568752889.db2.gz HMBXXZGMSWWFLC-UHFFFAOYSA-N 0 0 415.515 1.663 50 0 HDAARN C[C@]1(C(=O)NC2CCCC2)CN(S(C)(=O)=O)CC(=O)N1c1ccc(Cl)cc1 ZINC000021869667 568756144 /nfs/dbraw/zinc/75/61/44/568756144.db2.gz AFXWVQQJMYJPIX-GOSISDBHSA-N 0 0 413.927 1.766 50 0 HDAARN COC(=O)c1cc(S(=O)(=O)NCCC(=O)Nc2ccc(F)cc2F)cn1C ZINC000021882197 568757413 /nfs/dbraw/zinc/75/74/13/568757413.db2.gz AIENJUJVZVLMFZ-UHFFFAOYSA-N 0 0 401.391 1.397 50 0 HDAARN C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c32)C1 ZINC000021882455 568757693 /nfs/dbraw/zinc/75/76/93/568757693.db2.gz SFQWRHDYMKCELK-LLVKDONJSA-N 0 0 402.520 1.766 50 0 HDAARN CCn1c(=O)c(N2CCN(C(=O)c3ccnn3C)CC2)c(C)n(-c2ccccc2)c1=O ZINC000021885893 568758652 /nfs/dbraw/zinc/75/86/52/568758652.db2.gz SZNMPINRPMDJJP-UHFFFAOYSA-N 0 0 422.489 1.023 50 0 HDAARN CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCC(=O)NCc1ccco1 ZINC000021919784 568760577 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HDAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000007278447 569231225 /nfs/dbraw/zinc/23/12/25/569231225.db2.gz USCOFQSBEYKIEZ-MWTRTKDXSA-N 0 0 421.453 1.678 50 0 HDAARN CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000065564553 569234195 /nfs/dbraw/zinc/23/41/95/569234195.db2.gz ASPWVVAOBAWLBD-CYBMUJFWSA-N 0 0 405.567 1.316 50 0 HDAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1C(=O)N1CCCC1 ZINC000037008934 569234859 /nfs/dbraw/zinc/23/48/59/569234859.db2.gz QENXPHMSACRSPW-UHFFFAOYSA-N 0 0 417.535 1.773 50 0 HDAARN CN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000065550294 569234865 /nfs/dbraw/zinc/23/48/65/569234865.db2.gz XUPMXNRAZUKXJW-UHFFFAOYSA-N 0 0 407.492 1.162 50 0 HDAARN CC(=O)N[C@H](CC(=O)OCCCn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 ZINC000065567882 569236216 /nfs/dbraw/zinc/23/62/16/569236216.db2.gz XHIDHIWVWKSXSD-MRXNPFEDSA-N 0 0 415.471 1.952 50 0 HDAARN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000065587904 569236599 /nfs/dbraw/zinc/23/65/99/569236599.db2.gz AHTKQAUBFKCDJL-AWEZNQCLSA-N 0 0 412.471 1.570 50 0 HDAARN CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C2=O ZINC000007407972 569236902 /nfs/dbraw/zinc/23/69/02/569236902.db2.gz FBHBSDGGCNEMEW-UHFFFAOYSA-N 0 0 408.480 1.082 50 0 HDAARN CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 ZINC000007425900 569238264 /nfs/dbraw/zinc/23/82/64/569238264.db2.gz UMPKEVJBLWGSRU-HNNXBMFYSA-N 0 0 415.494 1.774 50 0 HDAARN C[C@]1(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)CCS(=O)(=O)C1 ZINC000007473144 569240246 /nfs/dbraw/zinc/24/02/46/569240246.db2.gz OEPPZUIWZOILJU-NRFANRHFSA-N 0 0 411.483 1.752 50 0 HDAARN CCCCOCCOCCOCCS(=O)(=O)N1CCN(c2nccs2)CC1 ZINC000170595713 569241658 /nfs/dbraw/zinc/24/16/58/569241658.db2.gz UVDRWCPUWUVRDN-UHFFFAOYSA-N 0 0 421.585 1.445 50 0 HDAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)C(=O)C2)c(C)c1 ZINC000170596213 569241926 /nfs/dbraw/zinc/24/19/26/569241926.db2.gz OGWYMFGUDSVWTB-UHFFFAOYSA-N 0 0 415.515 1.847 50 0 HDAARN COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 ZINC000007498185 569242568 /nfs/dbraw/zinc/24/25/68/569242568.db2.gz FEDXTLJVPSJINI-UHFFFAOYSA-N 0 0 413.386 1.646 50 0 HDAARN CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)Cc2cnc3ccccc3c2)cc1 ZINC000170610732 569245414 /nfs/dbraw/zinc/24/54/14/569245414.db2.gz VNCMFHBOYVIKNG-UHFFFAOYSA-N 0 0 423.454 1.900 50 0 HDAARN O=c1c(Cl)c(N2CC[C@H](CO)[C@H](O)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000170613064 569246685 /nfs/dbraw/zinc/24/66/85/569246685.db2.gz RMCIGXNUIHHTIK-BXKDBHETSA-N 0 0 404.776 1.479 50 0 HDAARN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCCCCCO)c1 ZINC000170616675 569247654 /nfs/dbraw/zinc/24/76/54/569247654.db2.gz YLESIAGOJIGAOG-UHFFFAOYSA-N 0 0 400.497 1.093 50 0 HDAARN C[C@H](OC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)NC1CC1 ZINC000007547614 569248984 /nfs/dbraw/zinc/24/89/84/569248984.db2.gz KCOYXDUNYUGOPC-QWHCGFSZSA-N 0 0 405.476 1.058 50 0 HDAARN CN(C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170622811 569249379 /nfs/dbraw/zinc/24/93/79/569249379.db2.gz VTELLVDJKBDVCM-CQSZACIVSA-N 0 0 415.537 1.512 50 0 HDAARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCN(c2ccccn2)CC1 ZINC000170625203 569249997 /nfs/dbraw/zinc/24/99/97/569249997.db2.gz FDISCQZKNLTLTP-KRWDZBQOSA-N 0 0 411.437 1.380 50 0 HDAARN COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C ZINC000170625541 569250102 /nfs/dbraw/zinc/25/01/02/569250102.db2.gz XTKAAZHUFJPLQV-LBPRGKRZSA-N 0 0 402.432 1.687 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccco3)C2=O)cc1OC ZINC000170625236 569250106 /nfs/dbraw/zinc/25/01/06/569250106.db2.gz QCDUBSNQVHFLLR-HNNXBMFYSA-N 0 0 401.419 1.466 50 0 biogenic HDAARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3nc(C)cs3)C2=O)cc1OC ZINC000170625622 569250242 /nfs/dbraw/zinc/25/02/42/569250242.db2.gz RDHSPSRKZBBIPB-ZDUSSCGKSA-N 0 0 418.475 1.960 50 0 HDAARN CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000007562094 569250671 /nfs/dbraw/zinc/25/06/71/569250671.db2.gz VRQNJAOJTJTGFC-GJZGRUSLSA-N 0 0 412.508 1.510 50 0 HDAARN C[C@H](Sc1nnc(-c2ccccc2)n1N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009883885 569251546 /nfs/dbraw/zinc/25/15/46/569251546.db2.gz NHOKZHPCXMUBPN-NSHDSACASA-N 0 0 418.504 1.426 50 0 HDAARN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc2c(c1)OCCCO2 ZINC000010027066 569252892 /nfs/dbraw/zinc/25/28/92/569252892.db2.gz DHVPFUVVUJQJLU-UHFFFAOYSA-N 0 0 407.426 1.858 50 0 HDAARN COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nnnn2C)cc1 ZINC000010254816 569254303 /nfs/dbraw/zinc/25/43/03/569254303.db2.gz XEXGJTIJPOBYHH-UHFFFAOYSA-N 0 0 416.463 1.320 50 0 HDAARN CC(C)CN(C(=O)CCC(=O)N1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000014048802 569258476 /nfs/dbraw/zinc/25/84/76/569258476.db2.gz NULMQPWFLWGTJR-UHFFFAOYSA-N 0 0 421.542 1.557 50 0 HDAARN COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000014242311 569259157 /nfs/dbraw/zinc/25/91/57/569259157.db2.gz LTNQUXRCJJWYKZ-UHFFFAOYSA-N 0 0 423.491 1.347 50 0 HDAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)c1 ZINC000014343741 569259551 /nfs/dbraw/zinc/25/95/51/569259551.db2.gz LBXAJGSLJMPFCW-UHFFFAOYSA-N 0 0 416.503 1.941 50 0 HDAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)n(N)c2=O)cc1 ZINC000007573168 569263802 /nfs/dbraw/zinc/26/38/02/569263802.db2.gz JSYJTSSIAKYDRR-UHFFFAOYSA-N 0 0 411.487 1.991 50 0 HDAARN COc1ccc(C)cc1S(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000016847496 569265134 /nfs/dbraw/zinc/26/51/34/569265134.db2.gz FXASTFNBPVECBO-GOSISDBHSA-N 0 0 404.488 1.882 50 0 HDAARN CCOC(=O)C1CCN(C(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)CC1 ZINC000016849546 569265640 /nfs/dbraw/zinc/26/56/40/569265640.db2.gz XRYWIJHCJZTWAU-UHFFFAOYSA-N 0 0 415.494 1.615 50 0 HDAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(=O)n(C)c3)n2C)c(OC)c1 ZINC000016849483 569265674 /nfs/dbraw/zinc/26/56/74/569265674.db2.gz APYKHFRURSQHKJ-UHFFFAOYSA-N 0 0 415.475 1.929 50 0 HDAARN O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1cnccn1 ZINC000016850529 569265945 /nfs/dbraw/zinc/26/59/45/569265945.db2.gz JCHGIGZLNQXGMD-UHFFFAOYSA-N 0 0 419.441 1.103 50 0 HDAARN COC(=O)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)n2)cc1 ZINC000016942294 569267944 /nfs/dbraw/zinc/26/79/44/569267944.db2.gz ZCAIIMZBVKOXAG-AWEZNQCLSA-N 0 0 409.489 1.959 50 0 HDAARN COc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCOCC2)cc(OC)c1OC ZINC000016943362 569267972 /nfs/dbraw/zinc/26/79/72/569267972.db2.gz LUVVHDBVJGQWND-KRWDZBQOSA-N 0 0 401.463 1.911 50 0 HDAARN COc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000016957026 569268385 /nfs/dbraw/zinc/26/83/85/569268385.db2.gz HSPFURMAJHHXPC-IBGZPJMESA-N 0 0 404.426 1.956 50 0 biogenic HDAARN COc1ccc(-n2nnc3c2ncn(CC(=O)Nc2ccc4c(c2)OCO4)c3=O)cc1 ZINC000016955137 569268534 /nfs/dbraw/zinc/26/85/34/569268534.db2.gz AZQWKBRKOBHCMX-UHFFFAOYSA-N 0 0 420.385 1.353 50 0 HDAARN COc1cc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC ZINC000017011633 569271417 /nfs/dbraw/zinc/27/14/17/569271417.db2.gz OXNDPCRCUILORD-ZDUSSCGKSA-N 0 0 409.464 1.829 50 0 HDAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000017169688 569276078 /nfs/dbraw/zinc/27/60/78/569276078.db2.gz HIXRIDGNSWLDKE-YOEHRIQHSA-N 0 0 424.450 1.345 50 0 HDAARN O=C(NCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178645 569276338 /nfs/dbraw/zinc/27/63/38/569276338.db2.gz RGPALYCNCSSDSP-FQEVSTJZSA-N 0 0 411.458 1.586 50 0 HDAARN O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000007586295 569283384 /nfs/dbraw/zinc/28/33/84/569283384.db2.gz QBKRFRMKIXMTPK-GOSISDBHSA-N 0 0 411.487 1.556 50 0 HDAARN CSCC[C@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1nnc2ccccn21 ZINC000252488233 569289464 /nfs/dbraw/zinc/28/94/64/569289464.db2.gz INZZMDRFKAQGLB-DOTOQJQBSA-N 0 0 408.491 1.916 50 0 HDAARN COC(=O)[C@@H](C)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000252492055 569290535 /nfs/dbraw/zinc/29/05/35/569290535.db2.gz MBPFIEROHMZANP-CYBMUJFWSA-N 0 0 404.492 1.403 50 0 HDAARN COCCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCCO2)CC1 ZINC000252494943 569290803 /nfs/dbraw/zinc/29/08/03/569290803.db2.gz OITJKJCGADHWJU-KRWDZBQOSA-N 0 0 419.501 1.944 50 0 HDAARN COCCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC000252494944 569290848 /nfs/dbraw/zinc/29/08/48/569290848.db2.gz OITJKJCGADHWJU-QGZVFWFLSA-N 0 0 419.501 1.944 50 0 HDAARN COc1ccc(N2C(=O)N[C@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1 ZINC000252496923 569290865 /nfs/dbraw/zinc/29/08/65/569290865.db2.gz PVCVUAIAVYBDCE-QGZVFWFLSA-N 0 0 407.430 1.881 50 0 HDAARN COCCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)CC1 ZINC000170649361 569292375 /nfs/dbraw/zinc/29/23/75/569292375.db2.gz PUSMFEOSWOCRQU-UHFFFAOYSA-N 0 0 410.518 1.941 50 0 HDAARN COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nccs3)C2=O)cc1OC ZINC000252536598 569292898 /nfs/dbraw/zinc/29/28/98/569292898.db2.gz IYAHUXICPPDWEL-GFCCVEGCSA-N 0 0 404.448 1.856 50 0 HDAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000054685598 569293818 /nfs/dbraw/zinc/29/38/18/569293818.db2.gz MPZBFPUPAOLTGQ-QGZVFWFLSA-N 0 0 403.504 1.606 50 0 HDAARN NC(=O)COc1ccc([C@H]2NC(=O)CN2Cc2ccc(Br)cc2)cc1 ZINC000054706384 569295042 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/nfs/dbraw/zinc/26/42/53/527264253.db2.gz VFLVHRQZCRVBLD-ZDUSSCGKSA-N 0 0 400.460 1.896 50 0 HDAARN NS(=O)(=O)c1ccc(CCNc2nccn(Cc3ccc(F)cc3)c2=O)cc1 ZINC000021910866 527311828 /nfs/dbraw/zinc/31/18/28/527311828.db2.gz GOMLZADBDHNMIL-UHFFFAOYSA-N 0 0 402.451 1.733 50 0 HDAARN O=C(Cc1noc(C(=O)NCC(=O)N2CCCC2)n1)Nc1cccc2ncccc21 ZINC000040282872 527346025 /nfs/dbraw/zinc/34/60/25/527346025.db2.gz FRWZAQCWFOTAJH-UHFFFAOYSA-N 0 0 408.418 1.151 50 0 HDAARN Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000032771482 527370955 /nfs/dbraw/zinc/37/09/55/527370955.db2.gz FFYUAXAYZBLTNK-UHFFFAOYSA-N 0 0 423.560 1.599 50 0 HDAARN O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCCc1ccccc1 ZINC000044921677 527416413 /nfs/dbraw/zinc/41/64/13/527416413.db2.gz CLRBHLQMTUDVGC-UHFFFAOYSA-N 0 0 417.513 1.929 50 0 HDAARN Nc1nc(SCC(=O)NC[C@@H]2CCCO2)ncc1S(=O)(=O)c1cccs1 ZINC000045925013 527557746 /nfs/dbraw/zinc/55/77/46/527557746.db2.gz LEWIWIDSIROSNP-JTQLQIEISA-N 0 0 414.534 1.340 50 0 HDAARN CC(=O)c1ccccc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000012537023 534921178 /nfs/dbraw/zinc/92/11/78/534921178.db2.gz LTORTLBZHWNMJA-OAQYLSRUSA-N 0 0 423.469 1.954 50 0 HDAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1 ZINC000035373564 535572127 /nfs/dbraw/zinc/57/21/27/535572127.db2.gz XKXQIUZNDCJHLC-MRXNPFEDSA-N 0 0 411.506 1.969 50 0 HDAARN CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001250196 536028645 /nfs/dbraw/zinc/02/86/45/536028645.db2.gz AKUYIQKSVOQWEL-UHFFFAOYSA-N 0 0 402.470 1.385 50 0 HDAARN COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000025186332 536514148 /nfs/dbraw/zinc/51/41/48/536514148.db2.gz JGEUPWQXLNSBPD-UHFFFAOYSA-N 0 0 422.441 1.809 50 0 HDAARN COc1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccccn4)CC3)NC2=O)cc1 ZINC000013692286 536778215 /nfs/dbraw/zinc/77/82/15/536778215.db2.gz VDOBLHYNVQOXHI-KRWDZBQOSA-N 0 0 408.462 1.095 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000012234891 536870335 /nfs/dbraw/zinc/87/03/35/536870335.db2.gz KITZJRRKLGULTO-SFHVURJKSA-N 0 0 415.471 1.834 50 0 HDAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000000639938 537064928 /nfs/dbraw/zinc/06/49/28/537064928.db2.gz HBACMMQZQUFEME-UHFFFAOYSA-N 0 0 415.471 1.189 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000000779541 557077897 /nfs/dbraw/zinc/07/78/97/557077897.db2.gz JZBYNOWDTMILSK-UHFFFAOYSA-N 0 0 420.487 1.859 50 0 HDAARN COc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000000990809 557134420 /nfs/dbraw/zinc/13/44/20/557134420.db2.gz BLYUYIWTMPHUAS-UHFFFAOYSA-N 0 0 404.488 1.689 50 0 HDAARN CCOC(=O)NC(=O)c1cn(Nc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O ZINC000001039857 557152658 /nfs/dbraw/zinc/15/26/58/557152658.db2.gz MRECCXZFPFVKAQ-UHFFFAOYSA-N 0 0 421.719 1.365 50 0 HDAARN COc1ccc(N2C(=O)[C@@H](CC(N)=O)N(NC(=O)CCc3ccccc3)C2=O)cc1 ZINC000001070157 557169125 /nfs/dbraw/zinc/16/91/25/557169125.db2.gz JJUGLNVVMVGEHR-QGZVFWFLSA-N 0 0 410.430 1.372 50 0 HDAARN Cn1c(N2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000001127852 557196433 /nfs/dbraw/zinc/19/64/33/557196433.db2.gz XVNHAIKPROROGP-UHFFFAOYSA-N 0 0 424.288 1.625 50 0 HDAARN CN1CCN(C(=O)c2ccccc2NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000001210609 557243137 /nfs/dbraw/zinc/24/31/37/557243137.db2.gz ZBFNRVKOCDWLIP-UHFFFAOYSA-N 0 0 406.442 1.309 50 0 HDAARN CNC(=S)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000001211636 557243311 /nfs/dbraw/zinc/24/33/11/557243311.db2.gz GAJHCWSPTXTEFT-OAHLLOKOSA-N 0 0 401.444 1.705 50 0 HDAARN COc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1OC ZINC000001431417 557262293 /nfs/dbraw/zinc/26/22/93/557262293.db2.gz WHJQATDIYHOZOW-UHFFFAOYSA-N 0 0 411.524 1.198 50 0 HDAARN NS(=O)(=O)c1ccc(Nc2nc(O)c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000001797010 557288721 /nfs/dbraw/zinc/28/87/21/557288721.db2.gz CCXUGQBDRGAFJP-AWEZNQCLSA-N 0 0 404.473 1.773 50 0 HDAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(N)=O)N(Cc3cccnc3)C2=S)cc1 ZINC000002229212 557329073 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COCCN(C[C@@H]1CN(C[C@H](C)O)CCO1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000034691461 557371710 /nfs/dbraw/zinc/37/17/10/557371710.db2.gz CMCWCHBEGHAURI-YOEHRIQHSA-N 0 0 404.429 1.876 50 0 HDAARN COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1ccccc1 ZINC000002797498 557389455 /nfs/dbraw/zinc/38/94/55/557389455.db2.gz UWXJPWLVYNOZNB-GTENMVSRSA-N 0 0 422.510 1.759 50 0 HDAARN O=S(=O)(c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000002838179 557399824 /nfs/dbraw/zinc/39/98/24/557399824.db2.gz ZJKCXRKHDFWSHY-UHFFFAOYSA-N 0 0 402.444 1.660 50 0 HDAARN Cc1cc(-n2cc(I)c(=O)[nH]c2=O)nc(-c2ccccc2)n1 ZINC000002878871 557418369 /nfs/dbraw/zinc/41/83/69/557418369.db2.gz AQRRWKASCGYHSH-UHFFFAOYSA-N 0 0 406.183 1.896 50 0 HDAARN CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1 ZINC000002950713 557430050 /nfs/dbraw/zinc/43/00/50/557430050.db2.gz JTWKFMAKKVDUKY-UHFFFAOYSA-N 0 0 424.889 1.471 50 0 HDAARN CCOc1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCC(N)=O ZINC000034771176 557451841 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0 HDAARN COc1ccc(CCNC(=O)C(=O)NCc2ccc(OC)c(OC)c2)cc1OC ZINC000004557440 557567861 /nfs/dbraw/zinc/56/78/61/557567861.db2.gz VPTVIIKXJNJTIQ-UHFFFAOYSA-N 0 0 402.447 1.696 50 0 HDAARN CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 ZINC000004732163 557588483 /nfs/dbraw/zinc/58/84/83/557588483.db2.gz IEYUYHHJMLBIMQ-HNNXBMFYSA-N 0 0 417.487 1.402 50 0 HDAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O ZINC000004760602 557595509 /nfs/dbraw/zinc/59/55/09/557595509.db2.gz RJPCSDQRGLGIPH-RTBURBONSA-N 0 0 413.474 1.856 50 0 HDAARN Cc1cc(N(CC(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)ccc1Br ZINC000004811239 557600599 /nfs/dbraw/zinc/60/05/99/557600599.db2.gz AYOZVYYCWMYJHI-ZDUSSCGKSA-N 0 0 405.314 1.819 50 0 HDAARN COC(CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)OC ZINC000004818341 557601680 /nfs/dbraw/zinc/60/16/80/557601680.db2.gz LGQANHRDMAHYLU-UHFFFAOYSA-N 0 0 407.858 1.166 50 0 HDAARN CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1=O ZINC000004975820 557619215 /nfs/dbraw/zinc/61/92/15/557619215.db2.gz GZJBOYKNTGKYAC-GOEBONIOSA-N 0 0 423.535 1.729 50 0 HDAARN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cn3cncn3)CC2)c(C)c1 ZINC000004988394 557621898 /nfs/dbraw/zinc/62/18/98/557621898.db2.gz WDGGNPLCUXOREK-KRWDZBQOSA-N 0 0 405.524 1.373 50 0 HDAARN CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000005008665 557624969 /nfs/dbraw/zinc/62/49/69/557624969.db2.gz FVMVBNZVDHMILW-GPINWOSQSA-N 0 0 405.790 1.605 50 0 HDAARN CC(=O)OC[C@@H]1O[C@@H](SC(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005495588 557657448 /nfs/dbraw/zinc/65/74/48/557657448.db2.gz GPOWSWIZSCANEB-NNXHMXCWSA-N 0 0 420.480 1.601 50 0 HDAARN CC(=O)OC[C@H]1O[C@@H](SC(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005495578 557657557 /nfs/dbraw/zinc/65/75/57/557657557.db2.gz GPOWSWIZSCANEB-UUAJXVIYSA-N 0 0 420.480 1.601 50 0 HDAARN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(N)=O)c(OC)c2)C1=O ZINC000005870025 557678349 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558672536 /nfs/dbraw/zinc/67/25/36/558672536.db2.gz XQGQLUHCKRAVHW-UYAOXDASSA-N 0 0 416.522 1.572 50 0 HDAARN CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N[C@H](C)COC)c1 ZINC000027473894 558673516 /nfs/dbraw/zinc/67/35/16/558673516.db2.gz QGBXKKNNMRCCSO-CQSZACIVSA-N 0 0 401.529 1.540 50 0 HDAARN O=C(NCCc1nnc2n1CCN(Cc1ccc(F)cc1F)CC2)[C@@H]1CCCO1 ZINC000014880734 558675939 /nfs/dbraw/zinc/67/59/39/558675939.db2.gz CULRPDICBWGJMK-KRWDZBQOSA-N 0 0 405.449 1.452 50 0 HDAARN Cn1c2ncn(CC(=O)Nc3ccc4c(c3)nc3n4CCCCC3)c2c(=O)n(C)c1=O ZINC000014910446 558679035 /nfs/dbraw/zinc/67/90/35/558679035.db2.gz ODWZECHNNXQFTI-UHFFFAOYSA-N 0 0 421.461 1.149 50 0 HDAARN COc1ccccc1C(=O)NCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CC2 ZINC000014987485 558693162 /nfs/dbraw/zinc/69/31/62/558693162.db2.gz XFWSQSPVKPAJRQ-RYRKJORJSA-N 0 0 421.501 1.814 50 0 HDAARN CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NC1CC1 ZINC000015019844 558703222 /nfs/dbraw/zinc/70/32/22/558703222.db2.gz AAYRNSHATNNIKK-UHFFFAOYSA-N 0 0 409.537 1.635 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