smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000006101356 193879278 /nfs/dbraw/zinc/87/92/78/193879278.db2.gz NIDHRUWVWOOWCL-UHFFFAOYSA-N 0 1 440.912 3.716 50 0 aggregator IHAAMN CN1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000005064782 132275108 /nfs/dbraw/zinc/27/51/08/132275108.db2.gz RSRWYGNIUBHBMQ-UHFFFAOYSA-N 0 1 426.630 3.858 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000010059893 132334480 /nfs/dbraw/zinc/33/44/80/132334480.db2.gz GMMKIABFVUDNOT-UHFFFAOYSA-N 0 1 446.345 3.630 50 0 IHAAMN CCOc1ccc(C2=NC(=O)C(CC(=O)Nc3cccc(C(C)=O)c3)S2)cc1OC ZINC000035685020 520930351 /nfs/dbraw/zinc/93/03/51/520930351.db2.gz FNNLZPBARDTBRJ-IBGZPJMESA-N 0 1 426.494 3.714 50 0 IHAAMN CCOc1ccc(CN2CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@@H]2CCO)cc1 ZINC000022851222 520973227 /nfs/dbraw/zinc/97/32/27/520973227.db2.gz CRQIKGNLEOGTIN-NRFANRHFSA-N 0 1 437.584 3.952 50 0 IHAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000020677660 521629043 /nfs/dbraw/zinc/62/90/43/521629043.db2.gz YDUAUPCSYKAUGT-UHFFFAOYSA-N 0 1 435.572 3.520 50 0 IHAAMN CN(C)S(=O)(=O)c1cccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000012808946 521998972 /nfs/dbraw/zinc/99/89/72/521998972.db2.gz XPJYHXMUWOYAQV-UHFFFAOYSA-N 0 1 447.576 3.849 50 0 IHAAMN CCc1[nH]nc(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1C ZINC000012447074 522133394 /nfs/dbraw/zinc/13/33/94/522133394.db2.gz ROCVGNDDDIGUHM-NRFANRHFSA-N 0 1 442.579 3.953 50 0 IHAAMN COc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)cc1 ZINC000033173811 524073906 /nfs/dbraw/zinc/07/39/06/524073906.db2.gz CYMUZSCCDVRFKP-UHFFFAOYSA-N 0 1 431.461 3.953 50 0 IHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3csc(-c4ccncc4)n3)CC2)c1 ZINC000035512097 524125118 /nfs/dbraw/zinc/12/51/18/524125118.db2.gz ZYEDPRYBZXVZJD-UHFFFAOYSA-N 0 1 435.597 3.764 50 0 IHAAMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(NC(C)=O)s3)N3CCC[C@@]23C1=O ZINC000012432387 524456126 /nfs/dbraw/zinc/45/61/26/524456126.db2.gz PJTJMLOBZKWCRM-BSRJHKFKSA-N 0 1 425.554 3.653 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 ZINC000022196795 524645930 /nfs/dbraw/zinc/64/59/30/524645930.db2.gz LMVLVPYYLUXEMS-KRWDZBQOSA-N 0 1 445.324 3.724 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000016050924 524648352 /nfs/dbraw/zinc/64/83/52/524648352.db2.gz ZEGUJSHYGSOASQ-UHFFFAOYSA-N 0 1 449.488 3.590 50 0 IHAAMN C[C@@H](CNC(=O)c1ccncc1)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012207222 524726444 /nfs/dbraw/zinc/72/64/44/524726444.db2.gz NWSBPOMQJIXBCM-NRFANRHFSA-N 0 1 430.552 3.601 50 0 IHAAMN C[C@@H](Cc1ccccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012319926 524924948 /nfs/dbraw/zinc/92/49/48/524924948.db2.gz HVHKWCDLXQIZOV-FQEVSTJZSA-N 0 1 430.552 3.881 50 0 IHAAMN C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000022035987 525140496 /nfs/dbraw/zinc/14/04/96/525140496.db2.gz GCQXXVXUSMINJH-SANMLTNESA-N 0 1 449.620 3.698 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)cc1 ZINC000012605288 525303855 /nfs/dbraw/zinc/30/38/55/525303855.db2.gz BFDGREPCUILVGF-QHCPKHFHSA-N 0 1 437.565 3.829 50 0 IHAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)c(N(C)C)c2)c(C)n1C ZINC000021154510 525572713 /nfs/dbraw/zinc/57/27/13/525572713.db2.gz CPWBPAFRYIBAFZ-UHFFFAOYSA-N 0 1 446.617 3.833 50 0 IHAAMN COc1ccc2nc(SCC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)[nH]c2c1 ZINC000012627463 525679051 /nfs/dbraw/zinc/67/90/51/525679051.db2.gz GPIMOEFNWPVPEY-UHFFFAOYSA-N 0 1 436.990 3.723 50 0 IHAAMN Cc1noc(C)c1S(=O)(=O)NC[C@H](C)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012456460 526555159 /nfs/dbraw/zinc/55/51/59/526555159.db2.gz UTEXDPBWSYUYLB-HNNXBMFYSA-N 0 1 449.598 3.731 50 0 IHAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000012788247 526581268 /nfs/dbraw/zinc/58/12/68/526581268.db2.gz JTOCNQCCJCSHKZ-HXUWFJFHSA-N 0 1 449.532 3.704 50 0 IHAAMN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000000715404 555548598 /nfs/dbraw/zinc/54/85/98/555548598.db2.gz AARQWRFIMPKGQF-UHFFFAOYSA-N 0 1 426.498 3.545 50 0 IHAAMN Cc1ccc(N2CCN(Cc3ccc(C(=O)NCCc4ccccn4)cc3)CC2)cc1C ZINC000034668100 555792025 /nfs/dbraw/zinc/79/20/25/555792025.db2.gz BLQWRCZWVDANNT-UHFFFAOYSA-N 0 1 428.580 3.993 50 0 IHAAMN COc1ccc(N(C(C)=O)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034682854 555817543 /nfs/dbraw/zinc/81/75/43/555817543.db2.gz UUDORWVMMJMQLZ-UHFFFAOYSA-N 0 1 428.529 3.739 50 0 IHAAMN CCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C ZINC000034835871 555913912 /nfs/dbraw/zinc/91/39/12/555913912.db2.gz ICNCANFAFPUIOW-UHFFFAOYSA-N 0 1 444.599 3.790 50 0 IHAAMN COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000034913874 555930029 /nfs/dbraw/zinc/93/00/29/555930029.db2.gz LLIIRNMRYDHBER-SJCJKPOMSA-N 0 1 432.546 3.652 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1(c2ccccc2)CCOCC1 ZINC000008663484 556197544 /nfs/dbraw/zinc/19/75/44/556197544.db2.gz YYMIHFCPNASDET-UHFFFAOYSA-N 0 1 437.521 3.569 50 0 IHAAMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000032781165 556347344 /nfs/dbraw/zinc/34/73/44/556347344.db2.gz VRCGAKBRPDJZSQ-QGZVFWFLSA-N 0 1 429.948 3.736 50 0 IHAAMN Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(N4CCN(C)CC4)cc2)C3)nc1 ZINC000011840517 556364823 /nfs/dbraw/zinc/36/48/23/556364823.db2.gz ZBYSWNSDNCTSRM-QHCPKHFHSA-N 0 1 442.563 3.542 50 0 IHAAMN Cn1c(CN2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000011935432 556378279 /nfs/dbraw/zinc/37/82/79/556378279.db2.gz QZEVAWHHGWAYHI-UHFFFAOYSA-N 0 1 445.611 3.914 50 0 IHAAMN CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014733668 556437848 /nfs/dbraw/zinc/43/78/48/556437848.db2.gz PTOXNMUYTODNKP-UHFFFAOYSA-N 0 1 432.568 3.504 50 0 IHAAMN COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014747697 556441950 /nfs/dbraw/zinc/44/19/50/556441950.db2.gz KQSTVJHTIVVXAZ-UHFFFAOYSA-N 0 1 447.535 3.878 50 0 IHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000013030240 556442228 /nfs/dbraw/zinc/44/22/28/556442228.db2.gz PXYMYCOFEJTVAC-NRFANRHFSA-N 0 1 427.932 3.952 50 0 IHAAMN COc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1 ZINC000072272713 556447191 /nfs/dbraw/zinc/44/71/91/556447191.db2.gz YWKJMAUFUWKFFU-PKTZIBPZSA-N 0 1 441.616 3.910 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C(C)C)CC3)ccc2C)cc1 ZINC000014939292 556459183 /nfs/dbraw/zinc/45/91/83/556459183.db2.gz HNRGRLLRBPMFLR-UHFFFAOYSA-N 0 1 429.586 3.707 50 0 IHAAMN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000072278443 556461067 /nfs/dbraw/zinc/46/10/67/556461067.db2.gz LOSJTVALDIYUQC-UHFFFAOYSA-N 0 1 440.463 3.848 50 0 IHAAMN O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013127895 556476743 /nfs/dbraw/zinc/47/67/43/556476743.db2.gz JBYQMPWEEMKNGB-UHFFFAOYSA-N 0 1 429.520 3.872 50 0 IHAAMN Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c23)cc1 ZINC000029831636 556483537 /nfs/dbraw/zinc/48/35/37/556483537.db2.gz MKWVFBWPDXBBEY-LPHOPBHVSA-N 0 1 428.533 3.647 50 0 IHAAMN CCOc1ccc(NC(=O)CC2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000013146123 556488141 /nfs/dbraw/zinc/48/81/41/556488141.db2.gz WQRFDDOXVORDCN-SFHVURJKSA-N 0 1 425.510 3.792 50 0 IHAAMN CCOc1ccc(NC(=O)C[C@@H]2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000013146123 556488145 /nfs/dbraw/zinc/48/81/45/556488145.db2.gz WQRFDDOXVORDCN-SFHVURJKSA-N 0 1 425.510 3.792 50 0 IHAAMN COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)C2CC2)cc1OC ZINC000015080994 556501064 /nfs/dbraw/zinc/50/10/64/556501064.db2.gz FGXCKOUCYZVLBG-HXUWFJFHSA-N 0 1 440.540 3.841 50 0 IHAAMN CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCN(C)CC4)nc3)n2)cc1 ZINC000032898869 556517228 /nfs/dbraw/zinc/51/72/28/556517228.db2.gz WFFOTBRRNONZGM-UHFFFAOYSA-N 0 1 434.544 3.578 50 0 IHAAMN COc1ccc(C)cc1NC(=O)[C@@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900793 556534986 /nfs/dbraw/zinc/53/49/86/556534986.db2.gz PVXBBZABLPWDGG-UPVQGACJSA-N 0 1 425.573 3.630 50 0 IHAAMN Cc1cc(CN2CCC(N(C)Cc3nnc(-c4ccc(Br)cc4)o3)CC2)on1 ZINC000072308325 556565821 /nfs/dbraw/zinc/56/58/21/556565821.db2.gz UGIFEVMUQIOXDZ-UHFFFAOYSA-N 0 1 446.349 3.892 50 0 IHAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000032974930 556596500 /nfs/dbraw/zinc/59/65/00/556596500.db2.gz RDXUYLGLSYASRI-UHFFFAOYSA-N 0 1 445.611 3.534 50 0 IHAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)cc1 ZINC000016840128 556645504 /nfs/dbraw/zinc/64/55/04/556645504.db2.gz LJXSAMCWHCWLQF-UHFFFAOYSA-N 0 1 443.550 3.671 50 0 IHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000011843107 556660567 /nfs/dbraw/zinc/66/05/67/556660567.db2.gz FMAXWAKERHQGFZ-UHFFFAOYSA-N 0 1 442.531 3.598 50 0 IHAAMN CCCC(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248107976 556663001 /nfs/dbraw/zinc/66/30/01/556663001.db2.gz RJARQQYINIACDN-YADARESESA-N 0 1 439.625 3.863 50 0 IHAAMN O=C(COC(=O)c1ccc(Br)o1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000032934815 556677654 /nfs/dbraw/zinc/67/76/54/556677654.db2.gz PARBNGTXEBNDSS-UHFFFAOYSA-N 0 1 432.152 3.733 50 0 IHAAMN O=C(CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCCC1)N1CCNCC1 ZINC000045966577 556688883 /nfs/dbraw/zinc/68/88/83/556688883.db2.gz OJMCGNQRCOLNGK-UHFFFAOYSA-N 0 1 425.495 3.692 50 0 IHAAMN CCN(Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C[C@H]1CCCO1 ZINC000055414846 556741233 /nfs/dbraw/zinc/74/12/33/556741233.db2.gz MVHZUDLDUHTFDG-JOCHJYFZSA-N 0 1 434.584 3.958 50 0 IHAAMN O=C(Cc1noc2ccccc12)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000060365681 556747797 /nfs/dbraw/zinc/74/77/97/556747797.db2.gz WDDCMCDYJQSMOC-UHFFFAOYSA-N 0 1 441.535 3.769 50 0 IHAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)C[C@H](C)O1 ZINC000058082809 556757075 /nfs/dbraw/zinc/75/70/75/556757075.db2.gz FLDPUDIBDQLUPU-SELNLUPBSA-N 0 1 435.568 3.503 50 0 IHAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058149030 556762023 /nfs/dbraw/zinc/76/20/23/556762023.db2.gz YBLXDHJYDVNVJK-UHFFFAOYSA-N 0 1 434.540 3.724 50 0 IHAAMN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)[C@@H]1CCCc2ccccc21 ZINC000058159653 556764141 /nfs/dbraw/zinc/76/41/41/556764141.db2.gz VOUOZCHHEVVTLG-OAQYLSRUSA-N 0 1 426.586 3.816 50 0 IHAAMN C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)[C@@H](C)CO1 ZINC000058703179 556791207 /nfs/dbraw/zinc/79/12/07/556791207.db2.gz YNIRCSWYXWRPTD-QWHCGFSZSA-N 0 1 426.897 3.529 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccccc1C ZINC000097940886 556810533 /nfs/dbraw/zinc/81/05/33/556810533.db2.gz RNEKVMPJLJHQND-UHFFFAOYSA-N 0 1 428.514 3.713 50 0 IHAAMN O=C(CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1)Nc1ccc(Cl)cc1 ZINC000033087451 556857589 /nfs/dbraw/zinc/85/75/89/556857589.db2.gz OGBLYKJCDTYDDM-UHFFFAOYSA-N 0 1 430.877 3.965 50 0 IHAAMN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[N@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000023157950 557030810 /nfs/dbraw/zinc/03/08/10/557030810.db2.gz LLIIRNMRYDHBER-SJKOYZFVSA-N 0 1 432.546 3.652 50 0 IHAAMN COc1ccc(CN2CCN(Cc3cc(OC)c(O)cc3Cl)C[C@@H]2CCO)c(C)c1C ZINC000022919116 557046166 /nfs/dbraw/zinc/04/61/66/557046166.db2.gz GBXPZNRZQWBBIY-FQEVSTJZSA-N 0 1 448.991 3.748 50 0 IHAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1cc(F)cc(F)c1 ZINC000033270892 557048025 /nfs/dbraw/zinc/04/80/25/557048025.db2.gz KYFOPVVBSLRMEL-UHFFFAOYSA-N 0 1 442.451 3.997 50 0 IHAAMN O=C(CCc1nc(CSc2nc(-c3cccnc3)n[nH]2)no1)Nc1ccc(Cl)cc1 ZINC000033271037 557048683 /nfs/dbraw/zinc/04/86/83/557048683.db2.gz FDQSJXORGHHLEC-UHFFFAOYSA-N 0 1 441.904 3.767 50 0 IHAAMN CN1CCN(CCNC(=O)COC(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000048303173 557064702 /nfs/dbraw/zinc/06/47/02/557064702.db2.gz VSNWMKAKMQKOLZ-SANMLTNESA-N 0 1 443.591 3.898 50 0 IHAAMN CSc1ccc(N2C[C@@H](c3nnc(NC(=O)c4c(F)cccc4F)o3)CC2=O)cc1 ZINC000033291343 557069457 /nfs/dbraw/zinc/06/94/57/557069457.db2.gz SRVSGSDYRYTQLK-NSHDSACASA-N 0 1 430.436 3.843 50 0 IHAAMN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000023339170 557085502 /nfs/dbraw/zinc/08/55/02/557085502.db2.gz OEHRJJPCSTWGRW-UHFFFAOYSA-N 0 1 440.573 3.504 50 0 IHAAMN O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 ZINC000023371006 557088407 /nfs/dbraw/zinc/08/84/07/557088407.db2.gz JICBJQLPPFLJOH-UHFFFAOYSA-N 0 1 440.525 3.634 50 0 IHAAMN O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(Nc2ccncc2)nn1 ZINC000049343648 557094283 /nfs/dbraw/zinc/09/42/83/557094283.db2.gz PKAZBKGZWPEDNA-UHFFFAOYSA-N 0 1 433.299 3.529 50 0 IHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)n[nH]2)cc1 ZINC000049406689 557102300 /nfs/dbraw/zinc/10/23/00/557102300.db2.gz BGSLPQYDOIUYAE-UHFFFAOYSA-N 0 1 438.553 3.500 50 0 IHAAMN CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000049612992 557115535 /nfs/dbraw/zinc/11/55/35/557115535.db2.gz VLWIXOBSKWNXCX-SFHVURJKSA-N 0 1 443.594 3.916 50 0 IHAAMN CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023224722 557116259 /nfs/dbraw/zinc/11/62/59/557116259.db2.gz HAPWMXZGOYFQOT-HSZRJFAPSA-N 0 1 430.564 3.702 50 0 IHAAMN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023805376 557117035 /nfs/dbraw/zinc/11/70/35/557117035.db2.gz SQQZOIXKYDRGTJ-UHFFFAOYSA-N 0 1 441.620 3.713 50 0 IHAAMN Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000023948343 557126938 /nfs/dbraw/zinc/12/69/38/557126938.db2.gz WLGMREMXIXQFAD-HSZRJFAPSA-N 0 1 434.521 3.707 50 0 IHAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000096562022 557203134 /nfs/dbraw/zinc/20/31/34/557203134.db2.gz OUQYUAHKJVNISO-DEOSSOPVSA-N 0 1 443.522 3.865 50 0 IHAAMN COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000011614660 557211182 /nfs/dbraw/zinc/21/11/82/557211182.db2.gz VVWQYLKLXFYANX-HXUWFJFHSA-N 0 1 442.899 3.570 50 0 IHAAMN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101050472 557216802 /nfs/dbraw/zinc/21/68/02/557216802.db2.gz 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/nfs/dbraw/zinc/51/14/59/556511459.db2.gz MCJDCAKROBMOAF-UHFFFAOYSA-N 0 1 434.905 3.882 50 0 IHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 ZINC000011906511 556671560 /nfs/dbraw/zinc/67/15/60/556671560.db2.gz VKSIKCJKQFKAII-UHFFFAOYSA-N 0 1 437.521 3.711 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000143604106 556739952 /nfs/dbraw/zinc/73/99/52/556739952.db2.gz MURCILWVRZTRIQ-YTFSRNRJSA-N 0 1 448.450 3.894 50 0 IHAAMN CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21 ZINC000034047430 556763077 /nfs/dbraw/zinc/76/30/77/556763077.db2.gz IRNANNICDLGFQX-UHFFFAOYSA-N 0 1 436.541 3.876 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(C)cc12 ZINC000061999531 556764146 /nfs/dbraw/zinc/76/41/46/556764146.db2.gz RAWQGBKYACVZPD-JCEJCQQGSA-N 0 1 425.916 3.927 50 0 biogenic IHAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1c2cccc1C ZINC000061999540 556812565 /nfs/dbraw/zinc/81/25/65/556812565.db2.gz QQTXTBPHXIPFDY-JCEJCQQGSA-N 0 1 425.916 3.927 50 0 biogenic IHAAMN Cc1ccccc1CN1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 ZINC000064137263 556822832 /nfs/dbraw/zinc/82/28/32/556822832.db2.gz GJQPPCUVDNSTDN-UHFFFAOYSA-N 0 1 432.549 3.570 50 0 IHAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000096786939 556842794 /nfs/dbraw/zinc/84/27/94/556842794.db2.gz VZAFSPQRRKUHIT-ZLNRFVROSA-N 0 1 430.460 3.760 50 0 IHAAMN CCN1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086420 556997307 /nfs/dbraw/zinc/99/73/07/556997307.db2.gz KTYWNIQAODHIJR-RUZDIDTESA-N 0 1 435.543 3.777 50 0 IHAAMN CCOc1ccc(-n2c3nc(SCC(=O)NC(C)C)[nH]c(=O)c3sc2=S)cc1 ZINC000032948241 557045930 /nfs/dbraw/zinc/04/59/30/557045930.db2.gz JMGCCTNTZFCLGX-UHFFFAOYSA-N 0 1 436.584 3.520 50 0 IHAAMN CCC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3cccc4ccccc43)CC1)C2=O ZINC000023257534 557079885 /nfs/dbraw/zinc/07/98/85/557079885.db2.gz SFJYSMUNEZWMFQ-UHFFFAOYSA-N 0 1 434.584 3.806 50 0 IHAAMN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000023340341 557086011 /nfs/dbraw/zinc/08/60/11/557086011.db2.gz CYZYKKXNTYZMBQ-SFHVURJKSA-N 0 1 437.515 3.727 50 0 IHAAMN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000060015700 557091368 /nfs/dbraw/zinc/09/13/68/557091368.db2.gz NXBVONWVPOOUDG-GUDVDZBRSA-N 0 1 429.586 3.584 50 0 IHAAMN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1cccc(Cl)c1 ZINC000049406613 557101835 /nfs/dbraw/zinc/10/18/35/557101835.db2.gz QJQNVDAZZBHDGH-UHFFFAOYSA-N 0 1 426.879 3.904 50 0 IHAAMN O=C(COc1coc(CN2CCCC2)cc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049548100 557112328 /nfs/dbraw/zinc/11/23/28/557112328.db2.gz DJNRFZLPVCZECU-UHFFFAOYSA-N 0 1 430.810 3.925 50 0 IHAAMN Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000049605849 557115168 /nfs/dbraw/zinc/11/51/68/557115168.db2.gz FPULPKBIZYTKSQ-JOCHJYFZSA-N 0 1 448.032 3.520 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3cccc(Cl)c3)cc2)n1 ZINC000033334038 557117343 /nfs/dbraw/zinc/11/73/43/557117343.db2.gz CUYCCFDJICRHGX-YHYXMXQVSA-N 0 1 428.901 3.891 50 0 IHAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017821634 557124502 /nfs/dbraw/zinc/12/45/02/557124502.db2.gz QVKLBFGOEMTFQC-ZRBLBEILSA-N 0 1 430.460 3.760 50 0 IHAAMN COC(=O)c1sc(NC(=O)CC[N@@H+](Cc2cccs2)C2CC2)c(C(=O)OC)c1C ZINC000024774316 557137617 /nfs/dbraw/zinc/13/76/17/557137617.db2.gz PQKXUBUJIQGIAA-UHFFFAOYSA-N 0 1 436.555 3.684 50 0 IHAAMN C[C@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000024572642 557151587 /nfs/dbraw/zinc/15/15/87/557151587.db2.gz QWEPIRRBZOQCGP-WXVAWEFUSA-N 0 1 435.612 3.519 50 0 IHAAMN COc1ccc([C@H](CNC(=O)CSc2nnc(NC3CC3)s2)N2CCCCC2)cc1 ZINC000024890002 557176995 /nfs/dbraw/zinc/17/69/95/557176995.db2.gz AZEPZOSBIVBNCE-SFHVURJKSA-N 0 1 447.630 3.557 50 0 IHAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000025330561 557204602 /nfs/dbraw/zinc/20/46/02/557204602.db2.gz NWCLYPKKZDVATL-JOCHJYFZSA-N 0 1 432.549 3.788 50 0 IHAAMN Cc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]43)cc2[nH]1 ZINC000604419194 557251171 /nfs/dbraw/zinc/25/11/71/557251171.db2.gz GNDNFAWFPPFQCB-QHCPKHFHSA-N 0 1 437.459 3.625 50 0 IHAAMN O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373665 557280784 /nfs/dbraw/zinc/28/07/84/557280784.db2.gz XNFOGJBUODMBFK-QFIPXVFZSA-N 0 1 445.563 3.657 50 0 IHAAMN O=c1occ(CN2CCN(c3ccccc3)CC2)c([O-])c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373665 557280787 /nfs/dbraw/zinc/28/07/87/557280787.db2.gz XNFOGJBUODMBFK-QFIPXVFZSA-N 0 1 445.563 3.657 50 0 IHAAMN COc1cccc(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)c1 ZINC000033071244 557323770 /nfs/dbraw/zinc/32/37/70/557323770.db2.gz WTWCQKSSKZRUOT-UHFFFAOYSA-N 0 1 443.345 3.867 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(F)cc3)cc2)n1 ZINC000033246242 557327038 /nfs/dbraw/zinc/32/70/38/557327038.db2.gz BKOGBKDHUHZLJF-XGICHPGQSA-N 0 1 426.473 3.685 50 0 IHAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102712683 557374092 /nfs/dbraw/zinc/37/40/92/557374092.db2.gz KGEQGIAXPBGPBH-YPAWHYETSA-N 0 1 434.423 3.591 50 0 IHAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1OC ZINC000102713213 557374590 /nfs/dbraw/zinc/37/45/90/557374590.db2.gz PXSJQVJGJHFENU-MQSCRBSSSA-N 0 1 430.460 3.755 50 0 IHAAMN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000102914501 557412314 /nfs/dbraw/zinc/41/23/14/557412314.db2.gz UITDEGKNHFENLB-YTFSRNRJSA-N 0 1 442.471 3.833 50 0 IHAAMN CCOC(=O)C(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034780 557415992 /nfs/dbraw/zinc/41/59/92/557415992.db2.gz GPKYJLXIGJXWTR-LBPRGKRZSA-N 0 1 445.353 3.809 50 0 IHAAMN CCOC(=O)C(=C(O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034780 557415994 /nfs/dbraw/zinc/41/59/94/557415994.db2.gz GPKYJLXIGJXWTR-LBPRGKRZSA-N 0 1 445.353 3.809 50 0 IHAAMN CCOC(=O)[C@@H](C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034780 557415996 /nfs/dbraw/zinc/41/59/96/557415996.db2.gz GPKYJLXIGJXWTR-LBPRGKRZSA-N 0 1 445.353 3.809 50 0 IHAAMN O=C(NCc1ccncc1)Nc1cccc(CN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000225408275 557719381 /nfs/dbraw/zinc/71/93/81/557719381.db2.gz ZKZYEKOCZKABHU-JOCHJYFZSA-N 0 1 431.475 3.540 50 0 IHAAMN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061992823 557829762 /nfs/dbraw/zinc/82/97/62/557829762.db2.gz HXHILYRRLVJUGI-KLRIDBMASA-N 0 1 445.003 3.747 50 0 IHAAMN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1)c1ccccc1 ZINC000008345873 562949207 /nfs/dbraw/zinc/94/92/07/562949207.db2.gz ZMRYEQCCMCFPGI-JOCHJYFZSA-N 0 1 429.586 3.534 50 0 IHAAMN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1C ZINC000252441172 568620297 /nfs/dbraw/zinc/62/02/97/568620297.db2.gz IYVNGAUMUARQSV-QGLJNFGTSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN CCCC(=O)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985092 568623541 /nfs/dbraw/zinc/62/35/41/568623541.db2.gz HCDJKGOWGZPUDZ-FCHUYYIVSA-N 0 1 446.494 3.664 50 0 IHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1Cl ZINC000015730635 568814123 /nfs/dbraw/zinc/81/41/23/568814123.db2.gz PJARJQRGCVHLNI-SNVBAGLBSA-N 0 1 442.946 3.838 50 0 IHAAMN COc1ccc2c(c1)C[C@@H](C(=O)NCCN(CCc1ccccc1)Cc1ccco1)CO2 ZINC000015786292 568835974 /nfs/dbraw/zinc/83/59/74/568835974.db2.gz SIICMJADSCWDOJ-JOCHJYFZSA-N 0 1 434.536 3.700 50 0 IHAAMN CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1=O ZINC000006181053 568867965 /nfs/dbraw/zinc/86/79/65/568867965.db2.gz LRXMKRWBKCVVAK-UHFFFAOYSA-N 0 1 441.553 3.663 50 0 IHAAMN Cc1onc(-c2ccccn2)c1C(=O)NCCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000035478623 568882685 /nfs/dbraw/zinc/88/26/85/568882685.db2.gz WEECQHYOBYAXER-UHFFFAOYSA-N 0 1 433.556 3.604 50 0 IHAAMN O=C(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1[nH]nc2c1CCCC2 ZINC000090591595 568888737 /nfs/dbraw/zinc/88/87/37/568888737.db2.gz WXPINDLJTJBTJE-UHFFFAOYSA-N 0 1 436.947 3.798 50 0 IHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248342653 568919288 /nfs/dbraw/zinc/91/92/88/568919288.db2.gz YPHXLCSUUWHSJE-AJGMTHFWSA-N 0 1 449.938 3.696 50 0 IHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248342655 568919325 /nfs/dbraw/zinc/91/93/25/568919325.db2.gz YPHXLCSUUWHSJE-GFTAFNIFSA-N 0 1 449.938 3.696 50 0 IHAAMN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557862 568931990 /nfs/dbraw/zinc/93/19/90/568931990.db2.gz OAYYWQHJBWSTGS-HXUWFJFHSA-N 0 1 449.484 3.805 50 0 IHAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(NC2CCCCC2)n1 ZINC000064814564 568964084 /nfs/dbraw/zinc/96/40/84/568964084.db2.gz ZOCGWKXCCYOGCN-UHFFFAOYSA-N 0 1 443.617 3.657 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341390 569079312 /nfs/dbraw/zinc/07/93/12/569079312.db2.gz MKUATGFQHVZGFZ-JOCHJYFZSA-N 0 1 440.975 3.664 50 0 IHAAMN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000036344082 569080009 /nfs/dbraw/zinc/08/00/09/569080009.db2.gz FWDUJQLWPRKPLF-VWLOTQADSA-N 0 1 434.584 3.709 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345352 569080658 /nfs/dbraw/zinc/08/06/58/569080658.db2.gz JQOARBIGBVVXDR-XMMPIXPASA-N 0 1 434.584 3.627 50 0 IHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000065116097 569107139 /nfs/dbraw/zinc/10/71/39/569107139.db2.gz DEJNBHBKIHVUSB-UHFFFAOYSA-N 0 1 445.497 3.680 50 0 IHAAMN O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1cc(Br)c(Cl)cc1Cl ZINC000170609277 569144718 /nfs/dbraw/zinc/14/47/18/569144718.db2.gz ITHOBIVYDRSIKO-UHFFFAOYSA-N 0 1 449.117 3.532 50 0 IHAAMN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000014522015 569159281 /nfs/dbraw/zinc/15/92/81/569159281.db2.gz PFYIOYJCUSEWIL-UHFFFAOYSA-N 0 1 428.536 3.934 50 0 IHAAMN Cc1ccc(CN2CCCN(C(=O)c3cc(Cn4ccc(C(F)(F)F)n4)on3)CC2)cc1 ZINC000089632321 569160278 /nfs/dbraw/zinc/16/02/78/569160278.db2.gz ANRVUNQARNZHTC-UHFFFAOYSA-N 0 1 447.461 3.595 50 0 IHAAMN CN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000014852756 569182943 /nfs/dbraw/zinc/18/29/43/569182943.db2.gz TVQAAJRATVJPKW-UHFFFAOYSA-N 0 1 433.531 3.894 50 0 IHAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000253404130 569265149 /nfs/dbraw/zinc/26/51/49/569265149.db2.gz DVEXFLVDXHLTFS-UHFFFAOYSA-N 0 1 431.930 3.943 50 0 IHAAMN CN(C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1F ZINC000079016087 569322139 /nfs/dbraw/zinc/32/21/39/569322139.db2.gz QOAYWDDOYSEVCY-MRXNPFEDSA-N 0 1 437.437 3.893 50 0 IHAAMN O=C(CSc1nc2ccccc2nc1N1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000020069347 569333279 /nfs/dbraw/zinc/33/32/79/569333279.db2.gz MVPUILQRCVFNHD-UHFFFAOYSA-N 0 1 439.629 3.799 50 0 IHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc(OC)c4OC)ccc3n2)CC1 ZINC000020108620 569334363 /nfs/dbraw/zinc/33/43/63/569334363.db2.gz DTSBOMULJWKIAM-UHFFFAOYSA-N 0 1 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ZINC000029078382 556466988 /nfs/dbraw/zinc/46/69/88/556466988.db2.gz OMVWOEUKGRDUDN-UHFFFAOYSA-N 0 1 439.563 3.946 50 0 IHAAMN Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 ZINC000029831629 556483531 /nfs/dbraw/zinc/48/35/31/556483531.db2.gz MKWVFBWPDXBBEY-APWZRJJASA-N 0 1 428.533 3.647 50 0 IHAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1 ZINC000029954867 556487390 /nfs/dbraw/zinc/48/73/90/556487390.db2.gz RUBFYXHIYFMZMU-UHFFFAOYSA-N 0 1 442.541 3.661 50 0 IHAAMN FC(F)Oc1ccc(Br)cc1CNCc1ccc(N2CCOCC2)nc1 ZINC000030636695 556500767 /nfs/dbraw/zinc/50/07/67/556500767.db2.gz FNNPAHAACHTTSX-UHFFFAOYSA-N 0 1 428.277 3.572 50 0 IHAAMN CCOC(=O)C1C(CN2CCC[C@H]2c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000032879808 556504927 /nfs/dbraw/zinc/50/49/27/556504927.db2.gz NZWQPAWKMUACDJ-JTHBVZDNSA-N 0 1 435.524 3.703 50 0 IHAAMN COc1ccc2[nH]cc([C@H]3C(NC(=O)c4ccc(Cl)cc4)C(C)=Nc4ncnn43)c2c1 ZINC000013570633 556521853 /nfs/dbraw/zinc/52/18/53/556521853.db2.gz 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CCOc1ccc(CN2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019219097 556713862 /nfs/dbraw/zinc/71/38/62/556713862.db2.gz JDEGIPQGLQEFPK-QHCPKHFHSA-N 0 1 438.547 3.683 50 0 IHAAMN O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000061718793 556725530 /nfs/dbraw/zinc/72/55/30/556725530.db2.gz AUUZIRJXKIVRQJ-UHFFFAOYSA-N 0 1 443.223 3.893 50 0 IHAAMN O=C(COc1ccccc1Cl)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055119627 556735279 /nfs/dbraw/zinc/73/52/79/556735279.db2.gz GUPPQHOZYUNTRT-FQEVSTJZSA-N 0 1 431.939 3.671 50 0 IHAAMN CCCCC[C@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(=O)OC ZINC000079026134 556737681 /nfs/dbraw/zinc/73/76/81/556737681.db2.gz WPPVDTYLVDVBKN-SFHVURJKSA-N 0 1 433.574 3.858 50 0 IHAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000058158811 556763575 /nfs/dbraw/zinc/76/35/75/556763575.db2.gz NAGQDLNGZSWQAK-MOPGFXCFSA-N 0 1 426.483 3.633 50 0 IHAAMN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000019530129 556791363 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447.944 3.519 50 0 IHAAMN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072139177 556898977 /nfs/dbraw/zinc/89/89/77/556898977.db2.gz FEHOYYCHUGPMJK-XMMPIXPASA-N 0 1 443.547 3.799 50 0 IHAAMN COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(OC)c(Cn4cncn4)c3)C2)cc1F ZINC000019837335 556928311 /nfs/dbraw/zinc/92/83/11/556928311.db2.gz ADYKQLXREFYNAN-IBGZPJMESA-N 0 1 438.503 3.578 50 0 IHAAMN Cc1sc(-c2ccccc2F)nc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000020412628 557014153 /nfs/dbraw/zinc/01/41/53/557014153.db2.gz OSEJBBFDJPFDOD-UHFFFAOYSA-N 0 1 430.593 3.938 50 0 IHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000048286319 557058442 /nfs/dbraw/zinc/05/84/42/557058442.db2.gz LOHHOWLCEFWUJV-DBXWQHBBSA-N 0 1 449.599 3.532 50 0 IHAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccccc3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307837 557087177 /nfs/dbraw/zinc/08/71/77/557087177.db2.gz KBFKCYHWLPGLQH-UHFFFAOYSA-N 0 1 444.582 3.733 50 0 IHAAMN O=C(CCN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023389042 557090291 /nfs/dbraw/zinc/09/02/91/557090291.db2.gz XGPVLFFSVRKXOA-RUZDIDTESA-N 0 1 426.476 3.584 50 0 IHAAMN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1)c1ccc(Cl)cc1 ZINC000049406607 557101915 /nfs/dbraw/zinc/10/19/15/557101915.db2.gz RZBGKUDPRXENKU-UHFFFAOYSA-N 0 1 426.879 3.904 50 0 IHAAMN COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000014906890 557119959 /nfs/dbraw/zinc/11/99/59/557119959.db2.gz UNCRWJIJIIZNQM-UHFFFAOYSA-N 0 1 440.521 3.994 50 0 IHAAMN CCN(CC)Cc1nc(=NCC(=O)Nc2ccc(F)c(F)c2)c2c(C)c(C)sc2[nH]1 ZINC000023845649 557120400 /nfs/dbraw/zinc/12/04/00/557120400.db2.gz ZFUOZCFWPDETIZ-UHFFFAOYSA-N 0 1 433.528 3.901 50 0 IHAAMN O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1 ZINC000024373113 557145654 /nfs/dbraw/zinc/14/56/54/557145654.db2.gz SCBSKWKQYWCQTK-UHFFFAOYSA-N 0 1 447.303 3.888 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)on3)ccc2OC)cc1 ZINC000025082655 557194879 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50 0 IHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCCN21 ZINC000101344692 557279542 /nfs/dbraw/zinc/27/95/42/557279542.db2.gz WFAMEJVXXNEJOG-OAWZGRKZSA-N 0 1 449.938 3.696 50 0 IHAAMN CCCCC1C(=O)N(c2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)s2)N=C1C ZINC000101505697 557290193 /nfs/dbraw/zinc/29/01/93/557290193.db2.gz LRCRDUNVXMCALX-UHFFFAOYSA-N 0 1 439.585 3.956 50 0 IHAAMN CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(C[NH+]2CCN(c4ccccc4)CC2)cc3=O)cc1 ZINC000101747781 557296920 /nfs/dbraw/zinc/29/69/20/557296920.db2.gz ZDAZDJBYSLBPSC-UHFFFAOYSA-N 0 1 442.567 3.704 50 0 IHAAMN CCN1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478408 557363647 /nfs/dbraw/zinc/36/36/47/557363647.db2.gz AFSMICAXQGELRI-AREMUKBSSA-N 0 1 431.580 3.946 50 0 IHAAMN COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000024023006 557391467 /nfs/dbraw/zinc/39/14/67/557391467.db2.gz QCVCJESEFGGDQG-AREMUKBSSA-N 0 1 447.579 3.729 50 0 IHAAMN 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/nfs/dbraw/zinc/23/35/96/523233596.db2.gz IUKZJWAACVPHFZ-CQSZACIVSA-N 0 1 432.267 3.783 50 0 IHAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)n2)cc1 ZINC000012101543 523260070 /nfs/dbraw/zinc/26/00/70/523260070.db2.gz OUCXWWVJYDEEPR-UHFFFAOYSA-N 0 1 434.905 3.882 50 0 IHAAMN CCc1cc(N2CCN(CC)CC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000036038487 523795225 /nfs/dbraw/zinc/79/52/25/523795225.db2.gz CXTNHGDCSRLNOJ-UHFFFAOYSA-N 0 1 439.629 3.613 50 0 IHAAMN COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000035372688 523873479 /nfs/dbraw/zinc/87/34/79/523873479.db2.gz UPMYGHHYVURNSO-UHFFFAOYSA-N 0 1 440.544 3.829 50 0 IHAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl ZINC000020722737 523893724 /nfs/dbraw/zinc/89/37/24/523893724.db2.gz XWUDCZXMYUUTCY-FUHWJXTLSA-N 0 1 439.343 3.961 50 0 IHAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl ZINC000020722476 523910167 /nfs/dbraw/zinc/91/01/67/523910167.db2.gz VPPKLSZRKSVNNW-PZJWPPBQSA-N 0 1 438.915 3.505 50 0 IHAAMN CN1CCN([C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022767214 523918034 /nfs/dbraw/zinc/91/80/34/523918034.db2.gz GEFKBJSPHUDPGM-QHCPKHFHSA-N 0 1 441.622 3.682 50 0 IHAAMN COc1ccc(CCNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000012896002 523958975 /nfs/dbraw/zinc/95/89/75/523958975.db2.gz LYMJVIMOLVYVFB-UHFFFAOYSA-N 0 1 445.471 3.912 50 0 biogenic IHAAMN CN(C)CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Cl)cc2s1 ZINC000022664357 524059146 /nfs/dbraw/zinc/05/91/46/524059146.db2.gz XRVUTNJUHDWMOG-HNNXBMFYSA-N 0 1 442.972 3.897 50 0 IHAAMN COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3cc(C)[nH]n3)CCC(=O)N2)c2ccccc12 ZINC000012167468 524144062 /nfs/dbraw/zinc/14/40/62/524144062.db2.gz UIHAKQZIMZCKFF-VWLOTQADSA-N 0 1 434.540 3.510 50 0 IHAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 ZINC000012803934 524190170 /nfs/dbraw/zinc/19/01/70/524190170.db2.gz NAKRXMCZVQQNNZ-SFHVURJKSA-N 0 1 444.944 3.826 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000012525895 524195992 /nfs/dbraw/zinc/19/59/92/524195992.db2.gz UHPONGUCFCQZOT-UHFFFAOYSA-N 0 1 429.586 3.707 50 0 IHAAMN COc1ccccc1-c1n[nH]c(SCc2cc(=O)n3c4c(sc3n2)CCCC4)n1 ZINC000020982791 524276616 /nfs/dbraw/zinc/27/66/16/524276616.db2.gz DXBOHQOQZOOXMX-UHFFFAOYSA-N 0 1 425.539 3.721 50 0 IHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCCc3cccs3)C2)CC1 ZINC000020535459 524560343 /nfs/dbraw/zinc/56/03/43/524560343.db2.gz SJWRUSXCRHYMCI-HXUWFJFHSA-N 0 1 427.614 3.893 50 0 IHAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000035911157 525551376 /nfs/dbraw/zinc/55/13/76/525551376.db2.gz AXKNWRFWJZUYRW-ILBGXUMGSA-N 0 1 439.575 3.860 50 0 IHAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c(C)n1C ZINC000021030499 525568972 /nfs/dbraw/zinc/56/89/72/525568972.db2.gz HEJHXNWSSNNAKS-UHFFFAOYSA-N 0 1 425.501 3.593 50 0 IHAAMN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCN2CCCC2)C3=O)o1 ZINC000021811868 525618213 /nfs/dbraw/zinc/61/82/13/525618213.db2.gz CRBGZYHPGZEXSI-VWLOTQADSA-N 0 1 440.588 3.692 50 0 IHAAMN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(C)ccc4OC)c3)cn2n1 ZINC000012441324 525655341 /nfs/dbraw/zinc/65/53/41/525655341.db2.gz JPLIPIGKDXNJNL-UHFFFAOYSA-N 0 1 438.509 3.831 50 0 IHAAMN Cc1ccnc(N2CCC(C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)CC2)n1 ZINC000035454459 525665773 /nfs/dbraw/zinc/66/57/73/525665773.db2.gz CQBMILLNHGUSID-UHFFFAOYSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023243009 525704196 /nfs/dbraw/zinc/70/41/96/525704196.db2.gz TWCSZWPHPHTDJV-UHFFFAOYSA-N 0 1 430.474 3.825 50 0 IHAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000012630953 526170498 /nfs/dbraw/zinc/17/04/98/526170498.db2.gz OGKQARGOVYKFBI-UHFFFAOYSA-N 0 1 440.550 3.790 50 0 IHAAMN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000012159936 526576705 /nfs/dbraw/zinc/57/67/05/526576705.db2.gz XRBQKRAVTGVJJZ-XUZZJYLKSA-N 0 1 443.588 3.812 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000022751436 526580350 /nfs/dbraw/zinc/58/03/50/526580350.db2.gz SKKBPTGDORZDMR-OAQYLSRUSA-N 0 1 434.540 3.673 50 0 IHAAMN O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000012581410 527664693 /nfs/dbraw/zinc/66/46/93/527664693.db2.gz WCWMUZPMKRHLEE-UHFFFAOYSA-N 0 1 435.977 3.747 50 0 IHAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1csc(-c2ccncc2)n1 ZINC000035512075 527667718 /nfs/dbraw/zinc/66/77/18/527667718.db2.gz VSAYVKSDAQGIKG-UHFFFAOYSA-N 0 1 441.988 3.801 50 0 IHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000020889958 527667911 /nfs/dbraw/zinc/66/79/11/527667911.db2.gz KQGQCRRFXJJUKT-UHFFFAOYSA-N 0 1 435.341 3.922 50 0 IHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 ZINC000000630530 555514659 /nfs/dbraw/zinc/51/46/59/555514659.db2.gz LMPNELRMMCMDBF-UHFFFAOYSA-N 0 1 445.426 3.858 50 0 IHAAMN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000000917594 555583739 /nfs/dbraw/zinc/58/37/39/555583739.db2.gz VBGWRHUAOIVHQO-UHFFFAOYSA-N 0 1 449.492 3.802 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n1 ZINC000001407274 555693724 /nfs/dbraw/zinc/69/37/24/555693724.db2.gz NFCBRBWENDOHLK-UHFFFAOYSA-N 0 1 448.957 3.970 50 0 IHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1 ZINC000002993128 555875528 /nfs/dbraw/zinc/87/55/28/555875528.db2.gz XQFQWEFKMURCJZ-UHFFFAOYSA-N 0 1 442.493 3.522 50 0 IHAAMN COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc21 ZINC000003656724 555944327 /nfs/dbraw/zinc/94/43/27/555944327.db2.gz GIZSIUKXJYINSC-UHFFFAOYSA-N 0 1 440.477 3.893 50 0 IHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCCc1ccccc1 ZINC000002973754 556152493 /nfs/dbraw/zinc/15/24/93/556152493.db2.gz GCCNZUQDTWJEHQ-UHFFFAOYSA-N 0 1 446.370 3.587 50 0 IHAAMN O=c1ccc2cc(S(=O)(=O)Nc3ccccc3-c3nnc4n3CCCCC4)ccc2o1 ZINC000032754962 556324291 /nfs/dbraw/zinc/32/42/91/556324291.db2.gz GNDWTHGTXRMZKT-UHFFFAOYSA-N 0 1 436.493 3.579 50 0 IHAAMN Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012020889 556386578 /nfs/dbraw/zinc/38/65/78/556386578.db2.gz VNLBYVLMUHLEFH-JOCHJYFZSA-N 0 1 443.563 3.893 50 0 IHAAMN Cc1noc(C)c1CC(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012020880 556386588 /nfs/dbraw/zinc/38/65/88/556386588.db2.gz VNLBYVLMUHLEFH-QFIPXVFZSA-N 0 1 443.563 3.893 50 0 IHAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665577 556417068 /nfs/dbraw/zinc/41/70/68/556417068.db2.gz MNTNQUDCFHNEAB-BGYRXZFFSA-N 0 1 448.567 3.985 50 0 IHAAMN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccoc3)CC2)N1CCc1ccccc1 ZINC000014740564 556438520 /nfs/dbraw/zinc/43/85/20/556438520.db2.gz IRIRBRJMNZHSBN-UHFFFAOYSA-N 0 1 444.535 3.716 50 0 IHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000028813221 556461338 /nfs/dbraw/zinc/46/13/38/556461338.db2.gz JANWJXQZBISEAZ-UHFFFAOYSA-N 0 1 448.722 3.619 50 0 IHAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010326 556573937 /nfs/dbraw/zinc/57/39/37/556573937.db2.gz HZYCSTGPMZDQJH-UGCAPWQASA-N 0 1 449.938 3.642 50 0 IHAAMN C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 ZINC000016045384 556579231 /nfs/dbraw/zinc/57/92/31/556579231.db2.gz ZWJFFQSEQWJLSV-HNNXBMFYSA-N 0 1 433.474 3.502 50 0 IHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000016189143 556588459 /nfs/dbraw/zinc/58/84/59/556588459.db2.gz KSJPMGOCCPAJJI-UHFFFAOYSA-N 0 1 443.547 3.996 50 0 IHAAMN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)cc(Br)c1OC ZINC000016361278 556602257 /nfs/dbraw/zinc/60/22/57/556602257.db2.gz URNUATMDGNIACW-AWEZNQCLSA-N 0 1 443.363 3.601 50 0 IHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 ZINC000024153124 556685969 /nfs/dbraw/zinc/68/59/69/556685969.db2.gz OQIDTUBUZJHHHV-UHFFFAOYSA-N 0 1 428.466 3.592 50 0 IHAAMN CCCCC[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)C(=O)OC ZINC000079026141 556737676 /nfs/dbraw/zinc/73/76/76/556737676.db2.gz WPPVDTYLVDVBKN-GOSISDBHSA-N 0 1 433.574 3.858 50 0 IHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)CC1 ZINC000055245365 556738629 /nfs/dbraw/zinc/73/86/29/556738629.db2.gz RKRAKASUXWBVIL-XMMPIXPASA-N 0 1 429.568 3.608 50 0 IHAAMN COc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c2ccccc2n1 ZINC000055383927 556740877 /nfs/dbraw/zinc/74/08/77/556740877.db2.gz IYMSHHGPROEBOX-OAQYLSRUSA-N 0 1 430.552 3.670 50 0 IHAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCCCC2)oc1C ZINC000097940894 556810633 /nfs/dbraw/zinc/81/06/33/556810633.db2.gz RGGBEGGNZOQTMZ-UHFFFAOYSA-N 0 1 442.541 3.967 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000097940849 556811433 /nfs/dbraw/zinc/81/14/33/556811433.db2.gz YQOLDKPECAZLAS-UHFFFAOYSA-N 0 1 434.905 3.668 50 0 IHAAMN COc1ccc(CCNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1OC ZINC000033071120 556851530 /nfs/dbraw/zinc/85/15/30/556851530.db2.gz DDMHIXJEWMDUNR-UHFFFAOYSA-N 0 1 442.947 3.809 50 0 IHAAMN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)c1 ZINC000033071302 556851539 /nfs/dbraw/zinc/85/15/39/556851539.db2.gz OUFXDJHJNAKHKU-OAHLLOKOSA-N 0 1 443.345 3.867 50 0 IHAAMN COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1OC ZINC000033071414 556851828 /nfs/dbraw/zinc/85/18/28/556851828.db2.gz SWSZSVIJXKHNKC-MRXNPFEDSA-N 0 1 442.947 3.809 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033171052 556882130 /nfs/dbraw/zinc/88/21/30/556882130.db2.gz XIUKJUYRJZRJEG-RAXLEYEMSA-N 0 1 427.482 3.921 50 0 IHAAMN O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019938591 556953053 /nfs/dbraw/zinc/95/30/53/556953053.db2.gz KKCPFGYFCCFUBN-OAQYLSRUSA-N 0 1 439.383 3.568 50 0 IHAAMN COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccc(C)cc3)N3CCN(C)CC3)c2=O)cc1 ZINC000023086500 556997374 /nfs/dbraw/zinc/99/73/74/556997374.db2.gz PZPDYEKUPFUZKJ-AREMUKBSSA-N 0 1 447.579 3.564 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(-c3nc(C(C)C)no3)c2)c(OC)c1 ZINC000046020289 557020891 /nfs/dbraw/zinc/02/08/91/557020891.db2.gz IEVZEVPKZIHOOF-UHFFFAOYSA-N 0 1 433.486 3.687 50 0 IHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)S2 ZINC000032943897 557021639 /nfs/dbraw/zinc/02/16/39/557021639.db2.gz BUMLGXFEBWILEM-NSHDSACASA-N 0 1 426.947 3.997 50 0 IHAAMN Cc1nn(-c2ccc(Br)cc2)c2c1C(=C(O)c1ccc(O)cc1)CC(=O)N2 ZINC000046057071 557028757 /nfs/dbraw/zinc/02/87/57/557028757.db2.gz GIKGZBXSKCVZGN-MRXNPFEDSA-N 0 1 426.270 3.958 50 0 IHAAMN COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCC(C)CC2)cc1=O ZINC000017246021 557044638 /nfs/dbraw/zinc/04/46/38/557044638.db2.gz WPYDDWSBLIZDPA-UHFFFAOYSA-N 0 1 437.462 3.746 50 0 IHAAMN CCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000017307959 557054272 /nfs/dbraw/zinc/05/42/72/557054272.db2.gz SXCDKGVHJXBYBR-UHFFFAOYSA-N 0 1 427.482 3.542 50 0 IHAAMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000023881991 557123055 /nfs/dbraw/zinc/12/30/55/557123055.db2.gz ZTFFSZOZDNFKDQ-UHFFFAOYSA-N 0 1 440.638 3.882 50 0 IHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 ZINC000017803572 557123911 /nfs/dbraw/zinc/12/39/11/557123911.db2.gz CXVSECGVVROOOL-LJQANCHMSA-N 0 1 444.576 3.680 50 0 IHAAMN C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)n1cncn1 ZINC000024576353 557151760 /nfs/dbraw/zinc/15/17/60/557151760.db2.gz RJECYQNQOZKLPK-LLVKDONJSA-N 0 1 440.312 3.585 50 0 IHAAMN COc1cc(C)ccc1S(=O)(=O)Nc1ccc(-c2csc3nc(C)cc(=O)n23)cc1 ZINC000011696464 557233270 /nfs/dbraw/zinc/23/32/70/557233270.db2.gz VNPCLLQQIQLUKP-UHFFFAOYSA-N 0 1 441.534 3.849 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCc4ccccc4Cl)c3=O)c2c1 ZINC000101497627 557289627 /nfs/dbraw/zinc/28/96/27/557289627.db2.gz GEGJVWRICYOTRZ-UHFFFAOYSA-N 0 1 428.901 3.519 50 0 IHAAMN CC[C@@H](COC)NC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023327107 557313158 /nfs/dbraw/zinc/31/31/58/557313158.db2.gz KWWPEOJRAXUILH-NRFANRHFSA-N 0 1 432.568 3.712 50 0 IHAAMN Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000102288368 557317521 /nfs/dbraw/zinc/31/75/21/557317521.db2.gz GLOIPCDJICTQRU-IRXDYDNUSA-N 0 1 447.944 3.519 50 0 IHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000103535691 557439257 /nfs/dbraw/zinc/43/92/57/557439257.db2.gz UOUDTJKJGXFWJA-PUFAWVJESA-N 0 1 449.938 3.696 50 0 IHAAMN O=C(NCc1ccncc1)Nc1cccc(CN[C@H](c2c[nH]nn2)c2ccc(F)cc2)c1 ZINC000225408305 557719350 /nfs/dbraw/zinc/71/93/50/557719350.db2.gz ZKZYEKOCZKABHU-QFIPXVFZSA-N 0 1 431.475 3.540 50 0 IHAAMN CC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000008604985 562956491 /nfs/dbraw/zinc/95/64/91/562956491.db2.gz VDGIBVZXGFTNNV-UHFFFAOYSA-N 0 1 431.558 3.662 50 0 IHAAMN CCCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)c1C ZINC000012053890 562980602 /nfs/dbraw/zinc/98/06/02/562980602.db2.gz MNIRCHLRQUVTIA-UHFFFAOYSA-N 0 1 436.560 3.896 50 0 IHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000058038525 563143243 /nfs/dbraw/zinc/14/32/43/563143243.db2.gz 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CCOc1ccc(CN2CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@H]2CCO)cc1 ZINC000036385846 568905742 /nfs/dbraw/zinc/90/57/42/568905742.db2.gz CRQIKGNLEOGTIN-OAQYLSRUSA-N 0 1 437.584 3.952 50 0 IHAAMN COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000089292139 568920037 /nfs/dbraw/zinc/92/00/37/568920037.db2.gz CAFVQSNJKPGBND-UHFFFAOYSA-N 0 1 430.932 3.711 50 0 IHAAMN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000064580455 568934248 /nfs/dbraw/zinc/93/42/48/568934248.db2.gz QFWRRMGLIUHWGG-UHFFFAOYSA-N 0 1 439.537 3.742 50 0 IHAAMN COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3cnc[nH]3)Cc3ccccc3)c(=O)oc2c1 ZINC000089568295 568937731 /nfs/dbraw/zinc/93/77/31/568937731.db2.gz WCYSFFOHDFRCAB-LJQANCHMSA-N 0 1 445.519 3.736 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092869 568951618 /nfs/dbraw/zinc/95/16/18/568951618.db2.gz CVEHLNSJNFOZHI-WOSRLPQWSA-N 0 1 428.558 3.880 50 0 IHAAMN COc1ccc(OC[C@@H](O)CN(Cc2cccs2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036103482 568953018 /nfs/dbraw/zinc/95/30/18/568953018.db2.gz XEUIQGSDCRYONS-SFHVURJKSA-N 0 1 427.522 3.928 50 0 IHAAMN CC(C)COC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146106 568962140 /nfs/dbraw/zinc/96/21/40/568962140.db2.gz VXZNFRHZEDOISL-GOTSBHOMSA-N 0 1 432.511 3.994 50 0 IHAAMN Cc1ccccc1N1CCN(C(=O)c2cccc3[nH]cc(CN4CCSCC4)c32)CC1 ZINC000065135858 569110865 /nfs/dbraw/zinc/11/08/65/569110865.db2.gz DGDRCFUTVYULIH-UHFFFAOYSA-N 0 1 434.609 3.988 50 0 IHAAMN COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)cc1 ZINC000006937220 569111217 /nfs/dbraw/zinc/11/12/17/569111217.db2.gz JNMDZLBHBAQUQO-FQEVSTJZSA-N 0 1 428.529 3.678 50 0 biogenic IHAAMN Cc1[nH]ncc1CCCNC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F ZINC000065534781 569139377 /nfs/dbraw/zinc/13/93/77/569139377.db2.gz XWXSAJYSSBVDMC-UHFFFAOYSA-N 0 1 439.447 3.593 50 0 IHAAMN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000037208883 569140843 /nfs/dbraw/zinc/14/08/43/569140843.db2.gz ULDJZODPCCYPEU-RDPSFJRHSA-N 0 1 431.536 3.663 50 0 IHAAMN CCOC(=O)Nc1ccc2c(CN3CCCN(c4cncc(F)c4)CC3)cc(=O)oc2c1 ZINC000089984759 569169974 /nfs/dbraw/zinc/16/99/74/569169974.db2.gz XRKGGCWJAHSUOU-UHFFFAOYSA-N 0 1 440.475 3.608 50 0 IHAAMN COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 ZINC000027340454 569190741 /nfs/dbraw/zinc/19/07/41/569190741.db2.gz JMOAXVCMFYAHIU-URXFXBBRSA-N 0 1 435.568 3.618 50 0 IHAAMN CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1N1CCCC1 ZINC000253370292 569264167 /nfs/dbraw/zinc/26/41/67/569264167.db2.gz OUBHMPWIIJGZJR-ZIAGYGMSSA-N 0 1 428.929 3.559 50 0 IHAAMN COc1cc([C@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc2c1OCO2 ZINC000253471759 569282557 /nfs/dbraw/zinc/28/25/57/569282557.db2.gz ZCHPPASPAROHJN-INIZCTEOSA-N 0 1 441.411 3.691 50 0 IHAAMN O=C(Nc1ccccn1)C1CCN(Cc2c[nH]c3c(Br)cccc3c2=O)CC1 ZINC000253630374 569284573 /nfs/dbraw/zinc/28/45/73/569284573.db2.gz OIMMTRHDVVZDBD-UHFFFAOYSA-N 0 1 441.329 3.949 50 0 IHAAMN CC[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)[C@@H](CC)CN1Cc1ccccc1 ZINC000078869838 569319574 /nfs/dbraw/zinc/31/95/74/569319574.db2.gz KVLQSJKAYDQHFE-RPWUZVMVSA-N 0 1 440.632 3.816 50 0 IHAAMN COc1cc(NC2CCN([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000079025613 569322745 /nfs/dbraw/zinc/32/27/45/569322745.db2.gz HHBCVVYKRBUMOX-INIZCTEOSA-N 0 1 431.964 3.938 50 0 IHAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc12 ZINC000020153819 569353517 /nfs/dbraw/zinc/35/35/17/569353517.db2.gz YVAHMZXGGGMAIB-UHFFFAOYSA-N 0 1 449.580 3.510 50 0 IHAAMN Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)ccc1OCCO ZINC000096008213 569379683 /nfs/dbraw/zinc/37/96/83/569379683.db2.gz QJHFHAGEJDAHKJ-UHFFFAOYSA-N 0 1 444.484 3.558 50 0 IHAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379719 569398241 /nfs/dbraw/zinc/39/82/41/569398241.db2.gz XWRIWCTZVIUFQF-UHFFFAOYSA-N 0 1 429.502 3.708 50 0 IHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)c(OC)c1 ZINC000057477170 569435833 /nfs/dbraw/zinc/43/58/33/569435833.db2.gz OGWRLQMJPSJHDQ-UHFFFAOYSA-N 0 1 426.904 3.710 50 0 IHAAMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1C ZINC000031668374 569457003 /nfs/dbraw/zinc/45/70/03/569457003.db2.gz DYFJWJBTFYGVRB-UHFFFAOYSA-N 0 1 427.570 3.653 50 0 IHAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000032072031 569459228 /nfs/dbraw/zinc/45/92/28/569459228.db2.gz GZWIQZZEZCNFAA-GOSISDBHSA-N 0 1 434.359 3.935 50 0 IHAAMN Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1 ZINC000008813187 569476713 /nfs/dbraw/zinc/47/67/13/569476713.db2.gz XPLHXLOBJRAQSE-UHFFFAOYSA-N 0 1 447.516 3.567 50 0 IHAAMN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000039535825 569481742 /nfs/dbraw/zinc/48/17/42/569481742.db2.gz RVZIWXAEGBCYQT-JOCHJYFZSA-N 0 1 439.987 3.927 50 0 IHAAMN Cc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]n2)c1O ZINC000009130116 569505958 /nfs/dbraw/zinc/50/59/58/569505958.db2.gz 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CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000245327081 569503718 /nfs/dbraw/zinc/50/37/18/569503718.db2.gz IRBVFSQTUWEQPF-FGZHOGPDSA-N 0 1 443.588 3.710 50 0 IHAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(OC)cc3)cc21 ZINC000040450367 569506229 /nfs/dbraw/zinc/50/62/29/569506229.db2.gz RYFDYZPWHIKABI-UHFFFAOYSA-N 0 1 439.331 3.558 50 0 IHAAMN CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009166054 569508839 /nfs/dbraw/zinc/50/88/39/569508839.db2.gz NUZSLLQKIOTEEZ-UHFFFAOYSA-N 0 1 443.960 3.877 50 0 IHAAMN CC(C)[C@@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000009217913 569512318 /nfs/dbraw/zinc/51/23/18/569512318.db2.gz FBIYBOYRYMBHLG-HXUWFJFHSA-N 0 1 439.541 3.634 50 0 IHAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(Br)cc1 ZINC000009409018 569530775 /nfs/dbraw/zinc/53/07/75/569530775.db2.gz YTCZOZWSWNNKEN-IBGZPJMESA-N 0 1 428.286 3.736 50 0 IHAAMN COc1cccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000009483627 569539550 /nfs/dbraw/zinc/53/95/50/569539550.db2.gz HUTPMBICSJAYER-UHFFFAOYSA-N 0 1 431.444 3.869 50 0 biogenic IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)on1 ZINC000009637694 569554890 /nfs/dbraw/zinc/55/48/90/569554890.db2.gz JDOVAYXHZKVWOE-UHFFFAOYSA-N 0 1 430.482 3.945 50 0 IHAAMN COCCNC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)[nH]c1-c1ccc(F)cc1 ZINC000009674147 569559072 /nfs/dbraw/zinc/55/90/72/569559072.db2.gz GFZSDBMMVOFGQV-UHFFFAOYSA-N 0 1 445.516 3.755 50 0 IHAAMN COCCNC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)[nH]c1-c1ccc(C)cc1 ZINC000009674145 569559128 /nfs/dbraw/zinc/55/91/28/569559128.db2.gz RJFZYLXYDGUALM-UHFFFAOYSA-N 0 1 441.553 3.924 50 0 IHAAMN CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3c(cccc3F)s2)c1 ZINC000009707967 569561788 /nfs/dbraw/zinc/56/17/88/569561788.db2.gz WMQJSXXHXGFGAX-UHFFFAOYSA-N 0 1 449.573 3.828 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 ZINC000009714716 569562881 /nfs/dbraw/zinc/56/28/81/569562881.db2.gz MWXVKCCSJMEAQK-UHFFFAOYSA-N 0 1 445.522 3.716 50 0 IHAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000009715459 569563080 /nfs/dbraw/zinc/56/30/80/569563080.db2.gz VVLLPRMZVYZLLX-UHFFFAOYSA-N 0 1 440.587 3.650 50 0 IHAAMN CCCCN(CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Cc1ccco1 ZINC000009777091 569567099 /nfs/dbraw/zinc/56/70/99/569567099.db2.gz UPKQVZVAQWMNPI-UHFFFAOYSA-N 0 1 436.556 3.748 50 0 IHAAMN CCCCn1c(CSc2nc(-c3cccs3)n[nH]2)nc2cc(S(N)(=O)=O)ccc21 ZINC000009793691 569568342 /nfs/dbraw/zinc/56/83/42/569568342.db2.gz KTOBDIWJJKYUOV-UHFFFAOYSA-N 0 1 448.599 3.623 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 ZINC000009796313 569568447 /nfs/dbraw/zinc/56/84/47/569568447.db2.gz WDYXNBFCWMJJGP-UHFFFAOYSA-N 0 1 448.504 3.934 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000009828657 569569847 /nfs/dbraw/zinc/56/98/47/569569847.db2.gz HTXYPTSSKPGZLP-UHFFFAOYSA-N 0 1 431.539 3.751 50 0 IHAAMN COc1ccccc1-c1cc(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)n[nH]1 ZINC000077143785 569585667 /nfs/dbraw/zinc/58/56/67/569585667.db2.gz SILMDRDBJABVDT-UHFFFAOYSA-N 0 1 449.492 3.586 50 0 IHAAMN O=C(Cc1c(F)cccc1Cl)N1CCC(O)([C@@H]2CCN3Cc4ccccc4N=C23)CC1 ZINC000102672550 569588223 /nfs/dbraw/zinc/58/82/23/569588223.db2.gz HDUWPYLRTJOIIC-GOSISDBHSA-N 0 1 441.934 3.941 50 0 IHAAMN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560248 520509570 /nfs/dbraw/zinc/50/95/70/520509570.db2.gz HMZWSPULHLGIOR-DEOSSOPVSA-N 0 1 431.536 3.955 50 0 IHAAMN CCOC(=O)C1C(CNCc2ccccc2Cl)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012412553 520519825 /nfs/dbraw/zinc/51/98/25/520519825.db2.gz RPKUJCLNCUFXIG-LJQANCHMSA-N 0 1 434.323 3.954 50 0 IHAAMN CCOC(=O)C1C(COC(=O)c2ccc(F)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012689041 520522861 /nfs/dbraw/zinc/52/28/61/520522861.db2.gz CRGRKHCCZMGLST-SFHVURJKSA-N 0 1 432.835 3.507 50 0 IHAAMN CCOC(=O)C1CCN(Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)CC1 ZINC000012218340 520578278 /nfs/dbraw/zinc/57/82/78/520578278.db2.gz WHQLYTPWRQYGBL-UHFFFAOYSA-N 0 1 439.943 3.873 50 0 IHAAMN CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012526108 520696103 /nfs/dbraw/zinc/69/61/03/520696103.db2.gz WRGKUXGKHJMYBF-UHFFFAOYSA-N 0 1 437.370 3.873 50 0 IHAAMN CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)n[nH]1 ZINC000012208021 521363274 /nfs/dbraw/zinc/36/32/74/521363274.db2.gz WJELDTUPUPLFFQ-UHFFFAOYSA-N 0 1 447.649 3.955 50 0 IHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020678058 521629689 /nfs/dbraw/zinc/62/96/89/521629689.db2.gz XNSFAMAYHACEHX-UHFFFAOYSA-N 0 1 435.572 3.601 50 0 IHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000015610123 521698537 /nfs/dbraw/zinc/69/85/37/521698537.db2.gz HHZOHCBJGWWJMY-UHFFFAOYSA-N 0 1 440.975 3.790 50 0 IHAAMN COC[C@@H]1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000012317819 522457681 /nfs/dbraw/zinc/45/76/81/522457681.db2.gz DSDIRFAGJKYVRG-JOCHJYFZSA-N 0 1 434.584 3.816 50 0 IHAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000012430594 522985198 /nfs/dbraw/zinc/98/51/98/522985198.db2.gz NOPVUZFECXKUID-UHFFFAOYSA-N 0 1 429.311 3.824 50 0 IHAAMN COCCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021782971 523807572 /nfs/dbraw/zinc/80/75/72/523807572.db2.gz KBABHXNFKVCFIB-HSZRJFAPSA-N 0 1 437.496 3.608 50 0 IHAAMN COc1ccc(CCNC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000035598046 523965416 /nfs/dbraw/zinc/96/54/16/523965416.db2.gz QBKKYHQZXPGGGD-UHFFFAOYSA-N 0 1 445.567 3.777 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)c1 ZINC000012584819 524192766 /nfs/dbraw/zinc/19/27/66/524192766.db2.gz SIPFOGSZXSYHGC-UHFFFAOYSA-N 0 1 438.391 3.619 50 0 IHAAMN Cc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)NC[C@@H]5CCCO5)cc4c3)CC2)n1 ZINC000012152567 524389292 /nfs/dbraw/zinc/38/92/92/524389292.db2.gz DAMZOGGKUQBBDA-QFIPXVFZSA-N 0 1 449.551 3.529 50 0 IHAAMN COc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022802820 524684519 /nfs/dbraw/zinc/68/45/19/524684519.db2.gz YJZFPFOXKGDUEG-XMMPIXPASA-N 0 1 432.564 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Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1C ZINC000020989789 525569693 /nfs/dbraw/zinc/56/96/93/525569693.db2.gz VMLXPFQIHHRDJY-UHFFFAOYSA-N 0 1 429.464 3.698 50 0 IHAAMN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)c1OC ZINC000012207508 525937882 /nfs/dbraw/zinc/93/78/82/525937882.db2.gz CCYBUJWXFCSQPY-AREMUKBSSA-N 0 1 437.584 3.898 50 0 IHAAMN O=C(CC[C@H]1CCCN(Cc2ccc(F)cc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000012193674 526569944 /nfs/dbraw/zinc/56/99/44/526569944.db2.gz LSNPBWDDAXMFFB-LJQANCHMSA-N 0 1 428.527 3.701 50 0 IHAAMN Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000022804537 527056104 /nfs/dbraw/zinc/05/61/04/527056104.db2.gz YLMLNWRHQXHTTL-UHFFFAOYSA-N 0 1 429.524 3.736 50 0 IHAAMN NC1(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@H]2Cc2ccccc2)CC1 ZINC000091595744 527123954 /nfs/dbraw/zinc/12/39/54/527123954.db2.gz MQULDFTZTCOLME-XMMPIXPASA-N 0 1 425.532 3.631 50 0 IHAAMN O=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000012508043 527553839 /nfs/dbraw/zinc/55/38/39/527553839.db2.gz JPQHKGHWOZKNFI-UHFFFAOYSA-N 0 1 437.237 3.542 50 0 IHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000001108927 555630472 /nfs/dbraw/zinc/63/04/72/555630472.db2.gz YDVDBTJYDGERFY-UHFFFAOYSA-N 0 1 429.864 3.632 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1 ZINC000001147259 555654073 /nfs/dbraw/zinc/65/40/73/555654073.db2.gz ZHRYBHCFGGMZFJ-UHFFFAOYSA-N 0 1 442.493 3.766 50 0 IHAAMN CCOc1ccc2nc(N[C@](NC(=O)CC(C)C)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000002050517 555728956 /nfs/dbraw/zinc/72/89/56/555728956.db2.gz NDTWSNGUYGCVNQ-QGZVFWFLSA-N 0 1 433.452 3.701 50 0 IHAAMN COc1ccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)cc1 ZINC000034675372 555794147 /nfs/dbraw/zinc/79/41/47/555794147.db2.gz MBWQIUIPGYJHLT-UHFFFAOYSA-N 0 1 440.507 3.868 50 0 IHAAMN O=C(NC1CCN(Cc2ccccc2F)CC1)c1nccnc1NC(=O)C1CCCCC1 ZINC000034717011 555866737 /nfs/dbraw/zinc/86/67/37/555866737.db2.gz MIWLOOZUMRTLHO-UHFFFAOYSA-N 0 1 439.535 3.529 50 0 IHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 ZINC000004647265 556004965 /nfs/dbraw/zinc/00/49/65/556004965.db2.gz QKYQRUVNWDITQN-IBGZPJMESA-N 0 1 439.566 3.641 50 0 IHAAMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000008723360 556204038 /nfs/dbraw/zinc/20/40/38/556204038.db2.gz VOYUFXTZYDOZMP-QGZVFWFLSA-N 0 1 440.525 3.609 50 0 IHAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000008767683 556212734 /nfs/dbraw/zinc/21/27/34/556212734.db2.gz SGXKYBLBOXPOPS-QHCPKHFHSA-N 0 1 446.507 3.665 50 0 IHAAMN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)N=C(C)C2C(=O)OC)cc1 ZINC000009374591 556286687 /nfs/dbraw/zinc/28/66/87/556286687.db2.gz UXDQAJFPWHPTSW-QFIPXVFZSA-N 0 1 432.480 3.739 50 0 IHAAMN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000011789775 556355293 /nfs/dbraw/zinc/35/52/93/556355293.db2.gz RYXGTXZXFKJKCG-BTYIYWSLSA-N 0 1 436.462 3.936 50 0 IHAAMN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1ccc3nsnc3c1)CC2 ZINC000011968051 556382170 /nfs/dbraw/zinc/38/21/70/556382170.db2.gz HGBUFMHWYSNPOO-LJQANCHMSA-N 0 1 436.581 3.661 50 0 IHAAMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000014867705 556451774 /nfs/dbraw/zinc/45/17/74/556451774.db2.gz CTBGHSKIRUUJCN-UHFFFAOYSA-N 0 1 427.853 3.872 50 0 IHAAMN O=S(=O)(Nc1ccc(I)cc1)c1ccccc1OC(F)(F)F ZINC000032895333 556515158 /nfs/dbraw/zinc/51/51/58/556515158.db2.gz QRPFKMAHPGQVBU-UHFFFAOYSA-N 0 1 443.184 3.991 50 0 IHAAMN Cc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2N=C3NCc2ccccc2)cn1 ZINC000065265656 556523985 /nfs/dbraw/zinc/52/39/85/556523985.db2.gz WYAGVFQONHRUFX-UHFFFAOYSA-N 0 1 426.524 3.705 50 0 IHAAMN O=C(NCc1nc2ccccc2s1)c1n[nH]c2ccc(I)cc21 ZINC000072302744 556547259 /nfs/dbraw/zinc/54/72/59/556547259.db2.gz DGSZEUHYGATQKR-UHFFFAOYSA-N 0 1 434.262 3.707 50 0 IHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000819 556572632 /nfs/dbraw/zinc/57/26/32/556572632.db2.gz YPHXLCSUUWHSJE-PBQROFAYSA-N 0 1 449.938 3.696 50 0 IHAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016033763 556577102 /nfs/dbraw/zinc/57/71/02/556577102.db2.gz FPNPKKNUBZDJTB-XVIHEJCXSA-N 0 1 449.938 3.642 50 0 IHAAMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nc4ccc(OC)cc4[nH]3)nc2c1 ZINC000032911003 556581893 /nfs/dbraw/zinc/58/18/93/556581893.db2.gz SXHWCNKZENELKL-UHFFFAOYSA-N 0 1 445.570 3.771 50 0 IHAAMN O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(F)(F)F ZINC000016123924 556584371 /nfs/dbraw/zinc/58/43/71/556584371.db2.gz PDFCHYNZHBPFLU-UHFFFAOYSA-N 0 1 448.488 3.681 50 0 IHAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)[nH]n2)o1 ZINC000042926083 556660050 /nfs/dbraw/zinc/66/00/50/556660050.db2.gz WEHXLTOWGCQJRT-FQEVSTJZSA-N 0 1 433.556 3.713 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000032931457 556675389 /nfs/dbraw/zinc/67/53/89/556675389.db2.gz IIENPDMEMXZVOY-GOSISDBHSA-N 0 1 429.586 3.566 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000032931457 556675390 /nfs/dbraw/zinc/67/53/90/556675390.db2.gz IIENPDMEMXZVOY-GOSISDBHSA-N 0 1 429.586 3.566 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000024184117 556688768 /nfs/dbraw/zinc/68/87/68/556688768.db2.gz XLJGPXIQVBFGFM-HNNXBMFYSA-N 0 1 442.459 3.911 50 0 IHAAMN COc1ccccc1CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055090634 556734422 /nfs/dbraw/zinc/73/44/22/556734422.db2.gz WCRFVOFSIDYQGH-HSZRJFAPSA-N 0 1 425.548 3.580 50 0 IHAAMN Cc1csc2nc(CN3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000058133679 556760444 /nfs/dbraw/zinc/76/04/44/556760444.db2.gz FTFLKOBZRCPQIJ-ROUUACIJSA-N 0 1 432.590 3.818 50 0 IHAAMN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4cnc(N(C)C)s4)CC3)c2)s1 ZINC000059471979 556801585 /nfs/dbraw/zinc/80/15/85/556801585.db2.gz DFFITODXZSKQRI-UHFFFAOYSA-N 0 1 442.614 3.887 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000097940856 556811452 /nfs/dbraw/zinc/81/14/52/556811452.db2.gz TVEGUZYNWUAFQS-UHFFFAOYSA-N 0 1 448.932 3.977 50 0 IHAAMN COc1cccc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)c1OC ZINC000033071200 556851486 /nfs/dbraw/zinc/85/14/86/556851486.db2.gz HLBOPTJSVXGIET-UHFFFAOYSA-N 0 1 428.920 3.766 50 0 IHAAMN O=C(NCc1ccccc1F)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071327 556852063 /nfs/dbraw/zinc/85/20/63/556852063.db2.gz LINRWOIPVIOMLW-CQSZACIVSA-N 0 1 431.309 3.997 50 0 IHAAMN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3COC(=O)C32)cc(OC)c1OC ZINC000020086311 556979067 /nfs/dbraw/zinc/97/90/67/556979067.db2.gz CJKTYALAAYPEMR-HXUWFJFHSA-N 0 1 433.464 3.575 50 0 IHAAMN O=S(=O)(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2CC1 ZINC000097162124 556994028 /nfs/dbraw/zinc/99/40/28/556994028.db2.gz YZTTVRAKDVQEDA-GOSISDBHSA-N 0 1 434.443 3.820 50 0 IHAAMN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000010707792 557019359 /nfs/dbraw/zinc/01/93/59/557019359.db2.gz BNFWKLMWPVQSKN-UHFFFAOYSA-N 0 1 438.531 3.734 50 0 IHAAMN O=C(NCCN1CCc2ccccc2C1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313164 557098323 /nfs/dbraw/zinc/09/83/23/557098323.db2.gz CIJRYPDSQZGYJA-UHFFFAOYSA-N 0 1 441.579 3.922 50 0 IHAAMN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1C ZINC000049586709 557116553 /nfs/dbraw/zinc/11/65/53/557116553.db2.gz IYVNGAUMUARQSV-DXUQQPRSSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN COc1cc(CCC2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc(OC)c1 ZINC000011413639 557144136 /nfs/dbraw/zinc/14/41/36/557144136.db2.gz UQAMXFBOBIZHFK-UHFFFAOYSA-N 0 1 427.570 3.926 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000101047182 557215634 /nfs/dbraw/zinc/21/56/34/557215634.db2.gz MURCILWVRZTRIQ-ZRBLBEILSA-N 0 1 448.450 3.894 50 0 IHAAMN COc1ccc2nc(SCc3nnc(C(=O)NCc4ccc(F)cc4)s3)[nH]c2c1 ZINC000026008248 557231864 /nfs/dbraw/zinc/23/18/64/557231864.db2.gz ZVLMLFQFRNCGRX-UHFFFAOYSA-N 0 1 429.502 3.784 50 0 IHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000026567670 557245240 /nfs/dbraw/zinc/24/52/40/557245240.db2.gz JHKXOVUXEFIKDS-OAQYLSRUSA-N 0 1 442.563 3.892 50 0 IHAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC ZINC000018206243 557251776 /nfs/dbraw/zinc/25/17/76/557251776.db2.gz PXSJQVJGJHFENU-XPNTWCBSSA-N 0 1 430.460 3.755 50 0 IHAAMN CC(C)OCCNC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023322910 557281631 /nfs/dbraw/zinc/28/16/31/557281631.db2.gz MNNCXFCJNICVJH-UHFFFAOYSA-N 0 1 432.568 3.712 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)SCC(=O)N2 ZINC000031812075 557294109 /nfs/dbraw/zinc/29/41/09/557294109.db2.gz BZDDBLSWHISAFV-OAHLLOKOSA-N 0 1 446.323 3.929 50 0 IHAAMN CC(=O)Nc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102763571 557380918 /nfs/dbraw/zinc/38/09/18/557380918.db2.gz IYRVNKAGCDPRBN-DNVJHFABSA-N 0 1 445.450 3.835 50 0 IHAAMN COc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccccc2)cc1Cl ZINC000051316556 557464450 /nfs/dbraw/zinc/46/44/50/557464450.db2.gz IARMQBWINUJGIA-UHFFFAOYSA-N 0 1 441.900 3.502 50 0 IHAAMN COc1ccc([C@H](CNC(=O)[C@H](C)n2ccc3ccccc3c2=O)N2CCCCC2)cc1 ZINC000225747488 557772205 /nfs/dbraw/zinc/77/22/05/557772205.db2.gz XFVOTQLUMXBOJM-CYFREDJKSA-N 0 1 433.552 3.915 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 ZINC000000888849 557856899 /nfs/dbraw/zinc/85/68/99/557856899.db2.gz DGFPPYFATOINMZ-UHFFFAOYSA-N 0 1 426.498 3.625 50 0 IHAAMN COc1ccc(Br)cc1CNC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000008831290 562965038 /nfs/dbraw/zinc/96/50/38/562965038.db2.gz CILNAXCABPTPSU-UHFFFAOYSA-N 0 1 433.331 3.651 50 0 IHAAMN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 ZINC000008845187 562965162 /nfs/dbraw/zinc/96/51/62/562965162.db2.gz DBVWYIABAPUILM-OAHLLOKOSA-N 0 1 440.525 3.598 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000009243418 562968408 /nfs/dbraw/zinc/96/84/08/562968408.db2.gz YHZKUKFLWFVXPH-UHFFFAOYSA-N 0 1 440.525 3.599 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009596695 562973762 /nfs/dbraw/zinc/97/37/62/562973762.db2.gz NMHLIZASBYGQSS-NRFANRHFSA-N 0 1 439.537 3.647 50 0 IHAAMN COc1ccc(CN2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c(C)c1C ZINC000023374697 568613866 /nfs/dbraw/zinc/61/38/66/568613866.db2.gz HYNNVWQFWFMRDK-DEOSSOPVSA-N 0 1 434.584 3.567 50 0 IHAAMN COc1cc2cc(CNCc3cn(C)nc3C)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299756628 568755551 /nfs/dbraw/zinc/75/55/51/568755551.db2.gz GEAFUWKMNDVZMP-UHFFFAOYSA-N 0 1 446.551 3.707 50 0 IHAAMN CCOC(=O)C1C(CSc2nc3cccnc3[nH]2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001422896 568793344 /nfs/dbraw/zinc/79/33/44/568793344.db2.gz SBMGOFPXMGWFBO-SFHVURJKSA-N 0 1 437.525 3.538 50 0 IHAAMN CCN(CC)[C@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 ZINC000084771096 568801030 /nfs/dbraw/zinc/80/10/30/568801030.db2.gz CBBQLGSIPUJUPX-LJQANCHMSA-N 0 1 430.574 3.567 50 0 IHAAMN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1)N1CCN(c2ccccc2)CC1 ZINC000085664660 568833897 /nfs/dbraw/zinc/83/38/97/568833897.db2.gz BPCWRNXHTNKQTP-UHFFFAOYSA-N 0 1 442.488 3.668 50 0 IHAAMN COc1ccc(NC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)N3)CCCC2)cc1 ZINC000015827006 568840966 /nfs/dbraw/zinc/84/09/66/568840966.db2.gz AFYNHPBYBYTOMM-UHFFFAOYSA-N 0 1 427.526 3.996 50 0 IHAAMN COc1ccc(OC[C@H](O)CN(Cc2cccs2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036103479 568952947 /nfs/dbraw/zinc/95/29/47/568952947.db2.gz XEUIQGSDCRYONS-GOSISDBHSA-N 0 1 427.522 3.928 50 0 IHAAMN CCCCOc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1 ZINC000064799789 568961267 /nfs/dbraw/zinc/96/12/67/568961267.db2.gz ARNHUHGQFMNPRH-UHFFFAOYSA-N 0 1 437.588 3.917 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146435 568962727 /nfs/dbraw/zinc/96/27/27/568962727.db2.gz GQIYZWJBAHIZBS-UPVQGACJSA-N 0 1 444.547 3.863 50 0 IHAAMN COc1cc(-c2noc([C@H](NC[C@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160535 568967443 /nfs/dbraw/zinc/96/74/43/568967443.db2.gz RPVOSNZCVDLJRB-WIYYLYMNSA-N 0 1 441.528 3.653 50 0 IHAAMN Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000036340480 569078952 /nfs/dbraw/zinc/07/89/52/569078952.db2.gz HGHFCJDDGZPPNF-VWLOTQADSA-N 0 1 430.596 3.718 50 0 IHAAMN CCc1nc(C)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340625 569078984 /nfs/dbraw/zinc/07/89/84/569078984.db2.gz YYMYTBRNYITPSL-RUZDIDTESA-N 0 1 444.623 3.972 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2OC)CC1 ZINC000036341389 569079332 /nfs/dbraw/zinc/07/93/32/569079332.db2.gz MKUATGFQHVZGFZ-QFIPXVFZSA-N 0 1 440.975 3.664 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344673 569080310 /nfs/dbraw/zinc/08/03/10/569080310.db2.gz KXWOFYMASZJJPD-XMMPIXPASA-N 0 1 434.584 3.627 50 0 IHAAMN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000065097604 569103780 /nfs/dbraw/zinc/10/37/80/569103780.db2.gz CSUIRZUTHRKNCT-UHFFFAOYSA-N 0 1 446.554 3.760 50 0 IHAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)c1 ZINC000065116021 569107148 /nfs/dbraw/zinc/10/71/48/569107148.db2.gz ROFIUYMHLHSCFY-UHFFFAOYSA-N 0 1 429.498 3.980 50 0 IHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000065116131 569107226 /nfs/dbraw/zinc/10/72/26/569107226.db2.gz NWFDQKDXZGOVSD-UHFFFAOYSA-N 0 1 433.461 3.811 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(OC)c1 ZINC000013696327 569156591 /nfs/dbraw/zinc/15/65/91/569156591.db2.gz JOLYIYPFBFCQAA-UHFFFAOYSA-N 0 1 430.526 3.584 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000015251627 569212244 /nfs/dbraw/zinc/21/22/44/569212244.db2.gz JTWVQUXHKMTRQR-UHFFFAOYSA-N 0 1 439.518 3.858 50 0 IHAAMN COCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(OC)cc1 ZINC000020182401 569355424 /nfs/dbraw/zinc/35/54/24/569355424.db2.gz NWJYBRVTOMAZSV-UHFFFAOYSA-N 0 1 427.526 3.616 50 0 IHAAMN CCOC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000095100961 569358195 /nfs/dbraw/zinc/35/81/95/569358195.db2.gz SPKITCROTAQRDY-DEOSSOPVSA-N 0 1 433.552 3.812 50 0 IHAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020355779 569361358 /nfs/dbraw/zinc/36/13/58/569361358.db2.gz FHQIACVDVLDCSX-UHFFFAOYSA-N 0 1 433.577 3.855 50 0 IHAAMN COc1ccc(CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C2CCCCC2)cc1OC ZINC000095389767 569363401 /nfs/dbraw/zinc/36/34/01/569363401.db2.gz ONBLJUWWNNUUPV-UHFFFAOYSA-N 0 1 436.574 3.882 50 0 IHAAMN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCN(CCO)CC3)cc(=O)oc2c1C ZINC000095478627 569373544 /nfs/dbraw/zinc/37/35/44/569373544.db2.gz QGQAFECEQQVTNG-UHFFFAOYSA-N 0 1 447.535 3.636 50 0 IHAAMN CCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1OC ZINC000096024247 569380551 /nfs/dbraw/zinc/38/05/51/569380551.db2.gz PLNZZESXVHTKSI-QFIPXVFZSA-N 0 1 425.529 3.732 50 0 IHAAMN O=C(NCCN1CCc2ccccc2C1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1 ZINC000096386285 569398418 /nfs/dbraw/zinc/39/84/18/569398418.db2.gz IJXDDPKATQQLPL-UHFFFAOYSA-N 0 1 443.522 3.703 50 0 IHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000096402645 569400554 /nfs/dbraw/zinc/40/05/54/569400554.db2.gz WUXGMAPRIXVLEN-OOYWPUHTSA-N 0 1 425.504 3.587 50 0 IHAAMN COc1ccc(NC(=O)COc2ccccc2F)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002621356 569411087 /nfs/dbraw/zinc/41/10/87/569411087.db2.gz BENZZXHKHRSJPY-UHFFFAOYSA-N 0 1 448.447 3.792 50 0 IHAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccc(F)cc1 ZINC000002624370 569411519 /nfs/dbraw/zinc/41/15/19/569411519.db2.gz JXHWGJQGARCHLW-UHFFFAOYSA-N 0 1 435.322 3.824 50 0 IHAAMN CCOc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)[nH]c2c1 ZINC000002629173 569412013 /nfs/dbraw/zinc/41/20/13/569412013.db2.gz YOTHLRPQLJRIBF-UHFFFAOYSA-N 0 1 432.933 3.804 50 0 IHAAMN COc1ccc(NC(=O)COc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003334840 569446577 /nfs/dbraw/zinc/44/65/77/569446577.db2.gz ZCWHKJCXGSDOPI-UHFFFAOYSA-N 0 1 430.457 3.653 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1c(Cl)cccc1Cl)SCC(=O)N2 ZINC000031806891 569457498 /nfs/dbraw/zinc/45/74/98/569457498.db2.gz LGIBXGQIUMFDFS-OAHLLOKOSA-N 0 1 446.323 3.929 50 0 IHAAMN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000067287477 569467293 /nfs/dbraw/zinc/46/72/93/569467293.db2.gz FQHWYIAWHMHTPG-DEOSSOPVSA-N 0 1 447.535 3.656 50 0 IHAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694632 569470149 /nfs/dbraw/zinc/47/01/49/569470149.db2.gz IRCOXFXHTKIHEQ-DYESRHJHSA-N 0 1 430.291 3.788 50 0 IHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000008845400 569478863 /nfs/dbraw/zinc/47/88/63/569478863.db2.gz XYJYNKAXPJDLSJ-NRFANRHFSA-N 0 1 443.887 3.650 50 0 IHAAMN CC(=O)[C@@H]1C(=C(O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008917940 569486161 /nfs/dbraw/zinc/48/61/61/569486161.db2.gz ANRJFYLDQNRFFC-KALPRAJFSA-N 0 1 449.510 3.952 50 0 biogenic IHAAMN CC(=O)[C@@H]1C(=C(O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009015861 569496761 /nfs/dbraw/zinc/49/67/61/569496761.db2.gz CTLOGBVHJCVBFC-PAHOUZJPSA-N 0 1 449.510 3.952 50 0 IHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2F)c1 ZINC000040284837 569497992 /nfs/dbraw/zinc/49/79/92/569497992.db2.gz AHKFQSQVYSIKIF-HXUWFJFHSA-N 0 1 426.423 3.963 50 0 IHAAMN CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245330040 569504051 /nfs/dbraw/zinc/50/40/51/569504051.db2.gz WSCHBVZXJZMYCN-MZNJEOGPSA-N 0 1 443.588 3.694 50 0 IHAAMN NC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000009125547 569504666 /nfs/dbraw/zinc/50/46/66/569504666.db2.gz CYEBBBMBHFTKCX-UKILVPOCSA-N 0 1 440.547 3.715 50 0 IHAAMN COc1ccc(NC(=O)c2ccccc2OC)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009130280 569505964 /nfs/dbraw/zinc/50/59/64/569505964.db2.gz UVQIYVRVPLQACL-UHFFFAOYSA-N 0 1 430.457 3.896 50 0 IHAAMN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 ZINC000069656435 569511653 /nfs/dbraw/zinc/51/16/53/569511653.db2.gz UNMPPGUOFRRRNO-UHFFFAOYSA-N 0 1 433.531 3.946 50 0 IHAAMN COC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000009278581 569518507 /nfs/dbraw/zinc/51/85/07/569518507.db2.gz HBQRJSCOSADHBR-UHFFFAOYSA-N 0 1 430.507 3.896 50 0 IHAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOC(C)C)ccc1O ZINC000009293141 569520135 /nfs/dbraw/zinc/52/01/35/569520135.db2.gz OACIGTDLGCEVFJ-QHCPKHFHSA-N 0 1 437.496 3.857 50 0 IHAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4ccc(OC)cc4s3)n2)cc1 ZINC000009302482 569520858 /nfs/dbraw/zinc/52/08/58/569520858.db2.gz BUTPMQPSJKVTTB-UHFFFAOYSA-N 0 1 427.511 3.829 50 0 IHAAMN Nn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009353686 569524972 /nfs/dbraw/zinc/52/49/72/569524972.db2.gz ULOFZXSLVMQHOS-UHFFFAOYSA-N 0 1 441.520 3.933 50 0 IHAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c1C ZINC000009356071 569525443 /nfs/dbraw/zinc/52/54/43/569525443.db2.gz IBEVIIHFGFEWQE-UHFFFAOYSA-N 0 1 446.960 3.774 50 0 IHAAMN COc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Br)cc2)cc1OC ZINC000009368564 569526674 /nfs/dbraw/zinc/52/66/74/569526674.db2.gz IGYRDMGEZACCDA-UHFFFAOYSA-N 0 1 449.330 3.640 50 0 IHAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000009408917 569530697 /nfs/dbraw/zinc/53/06/97/569530697.db2.gz ZIMZOJXVKKUDFO-NPMXOYFQSA-N 0 1 435.480 3.611 50 0 IHAAMN NC(=O)C1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000009410773 569531389 /nfs/dbraw/zinc/53/13/89/569531389.db2.gz YPTFXLPTKHJVNK-UHFFFAOYSA-N 0 1 426.900 3.690 50 0 IHAAMN Cc1cc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)NCc2cccs2)ccc1Cl ZINC000009490226 569540146 /nfs/dbraw/zinc/54/01/46/569540146.db2.gz JSFOHRROPAVLAS-UHFFFAOYSA-N 0 1 445.957 3.541 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c(OC)c1 ZINC000009526118 569544481 /nfs/dbraw/zinc/54/44/81/569544481.db2.gz BCRCJRYPIHFMDB-UHFFFAOYSA-N 0 1 448.541 3.529 50 0 IHAAMN O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009688593 569560804 /nfs/dbraw/zinc/56/08/04/569560804.db2.gz SDUAZGGKJCADMG-UHFFFAOYSA-N 0 1 448.350 3.930 50 0 IHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(OC)c1 ZINC000009704264 569561455 /nfs/dbraw/zinc/56/14/55/569561455.db2.gz IWKUJKZVEBSLRL-UHFFFAOYSA-N 0 1 430.457 3.896 50 0 IHAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778805 569567322 /nfs/dbraw/zinc/56/73/22/569567322.db2.gz OYHOSWFJEZDWDS-YADHBBJMSA-N 0 1 430.435 3.895 50 0 IHAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778809 569567337 /nfs/dbraw/zinc/56/73/37/569567337.db2.gz OYHOSWFJEZDWDS-VXKWHMMOSA-N 0 1 430.435 3.895 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000009908001 132331595 /nfs/dbraw/zinc/33/15/95/132331595.db2.gz XTYQQSSOXJEHHD-UHFFFAOYSA-N 0 1 431.920 3.529 50 0 IHAAMN CC(=O)c1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1 ZINC000021030126 518385322 /nfs/dbraw/zinc/38/53/22/518385322.db2.gz HAFYWJLIGDWLQO-UHFFFAOYSA-N 0 1 431.558 3.517 50 0 IHAAMN CC(C)n1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012477736 519948932 /nfs/dbraw/zinc/94/89/32/519948932.db2.gz KABZBMFTNGUWND-UHFFFAOYSA-N 0 1 436.560 3.905 50 0 IHAAMN CCOC(=O)C1C(CN2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560346 520517006 /nfs/dbraw/zinc/51/70/06/520517006.db2.gz XNQZVKPPSTXPJN-XUZZJYLKSA-N 0 1 433.552 3.964 50 0 IHAAMN CCOC(=O)C1=C(CN2CC[C@H](c3ccc(C)cc3)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560346 520517016 /nfs/dbraw/zinc/51/70/16/520517016.db2.gz XNQZVKPPSTXPJN-XUZZJYLKSA-N 0 1 433.552 3.964 50 0 IHAAMN CCOC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012407582 520960113 /nfs/dbraw/zinc/96/01/13/520960113.db2.gz BMSREMXKTWEQPT-QFIPXVFZSA-N 0 1 437.496 3.647 50 0 IHAAMN CCOc1ccccc1-c1nc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cs1 ZINC000021399597 521440303 /nfs/dbraw/zinc/44/03/03/521440303.db2.gz OSFXLVHHZZPSTK-UHFFFAOYSA-N 0 1 446.550 3.889 50 0 IHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N3)cc1 ZINC000020732794 523235294 /nfs/dbraw/zinc/23/52/94/523235294.db2.gz FWFVPLYVSHHFRY-OAHLLOKOSA-N 0 1 432.267 3.783 50 0 IHAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccccc1)=N2 ZINC000035372739 523787256 /nfs/dbraw/zinc/78/72/56/523787256.db2.gz JBTFABXMSQSNJN-UHFFFAOYSA-N 0 1 428.508 3.960 50 0 IHAAMN COc1ccc(CCC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)cc1Br ZINC000069484141 523925107 /nfs/dbraw/zinc/92/51/07/523925107.db2.gz YTPKNJJEBPLIBQ-LJQANCHMSA-N 0 1 429.318 3.723 50 0 IHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCc4[nH]nc(C)c4C)C3)C2)c1 ZINC000012433488 524273040 /nfs/dbraw/zinc/27/30/40/524273040.db2.gz OLZWOUAGYVMYDM-DEOSSOPVSA-N 0 1 428.552 3.622 50 0 IHAAMN COc1ccc(OC)c(CNCc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 ZINC000020576442 524836150 /nfs/dbraw/zinc/83/61/50/524836150.db2.gz HKOTUVAMDYEXTB-UHFFFAOYSA-N 0 1 427.574 3.872 50 0 IHAAMN COc1ncccc1C(=O)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012761542 525035192 /nfs/dbraw/zinc/03/51/92/525035192.db2.gz UNNSDFCWIHNGGU-NRFANRHFSA-N 0 1 441.547 3.763 50 0 IHAAMN Cc1ccc(NC(=O)[C@@H](C)N2CCN(CCc3ccccc3)CC2)c(Br)c1 ZINC000022912232 525189227 /nfs/dbraw/zinc/18/92/27/525189227.db2.gz CHWOYLAOQFMDMS-GOSISDBHSA-N 0 1 430.390 3.945 50 0 IHAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1C ZINC000012526250 525246357 /nfs/dbraw/zinc/24/63/57/525246357.db2.gz DRUNSRDZCCHQES-UHFFFAOYSA-N 0 1 436.493 3.526 50 0 IHAAMN COc1ccc2nc(SCC(=O)NCCc3ccc(OC(F)F)c(OC)c3)[nH]c2c1 ZINC000012604431 525680538 /nfs/dbraw/zinc/68/05/38/525680538.db2.gz AKBRPUQVXRSHOP-UHFFFAOYSA-N 0 1 437.468 3.633 50 0 IHAAMN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)NCCN3CCC(C)CC3)n2)cc1 ZINC000033307106 525871803 /nfs/dbraw/zinc/87/18/03/525871803.db2.gz STUDNONOIPNJIX-UHFFFAOYSA-N 0 1 440.569 3.722 50 0 IHAAMN c1c(-c2ccccc2)sc2ncnc(NCCCN3CCN(c4ncccn4)CC3)c12 ZINC000012813703 526396700 /nfs/dbraw/zinc/39/67/00/526396700.db2.gz IWLCWLGPUQOJGQ-UHFFFAOYSA-N 0 1 431.569 3.773 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012679995 526491586 /nfs/dbraw/zinc/49/15/86/526491586.db2.gz SPRKVBCXDRMPIL-NRFANRHFSA-N 0 1 428.492 3.546 50 0 IHAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000022874625 527018041 /nfs/dbraw/zinc/01/80/41/527018041.db2.gz PFVVQRKIVRDCSS-XMMPIXPASA-N 0 1 425.532 3.726 50 0 IHAAMN O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccc(Cl)cc1 ZINC000022298703 527047754 /nfs/dbraw/zinc/04/77/54/527047754.db2.gz HGRYOJATKBDUHP-UHFFFAOYSA-N 0 1 448.910 3.965 50 0 IHAAMN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020513103 527158352 /nfs/dbraw/zinc/15/83/52/527158352.db2.gz KQAIYEBLVJTBDU-MFLXSWDHSA-N 0 1 444.304 3.859 50 0 biogenic IHAAMN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000012752536 527451120 /nfs/dbraw/zinc/45/11/20/527451120.db2.gz CYJZALPGMROZAR-UHFFFAOYSA-N 0 1 444.875 3.830 50 0 IHAAMN COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000002268575 555764142 /nfs/dbraw/zinc/76/41/42/555764142.db2.gz SCKIRJLNOGYEGV-QGZVFWFLSA-N 0 1 427.379 3.709 50 0 IHAAMN CC1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccc(Cl)cc2Cl)CC3)CC1 ZINC000034809672 555908178 /nfs/dbraw/zinc/90/81/78/555908178.db2.gz GVWMUDYGUSJAPS-UHFFFAOYSA-N 0 1 435.355 3.716 50 0 IHAAMN CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000008955607 556236446 /nfs/dbraw/zinc/23/64/46/556236446.db2.gz IBUYXSHQGTUCBE-UHFFFAOYSA-N 0 1 448.629 3.759 50 0 IHAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000009969927 556319158 /nfs/dbraw/zinc/31/91/58/556319158.db2.gz VNGWKGDYQXLRLA-UHFFFAOYSA-N 0 1 449.941 3.708 50 0 IHAAMN C[C@@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000011881588 556373176 /nfs/dbraw/zinc/37/31/76/556373176.db2.gz QHFDSGIEBYSPAJ-GOSISDBHSA-N 0 1 431.540 3.716 50 0 IHAAMN COc1ccc(F)c(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000011998458 556384928 /nfs/dbraw/zinc/38/49/28/556384928.db2.gz AASLYRJOZJNEEV-HXUWFJFHSA-N 0 1 440.563 3.570 50 0 IHAAMN COc1ccc(CN2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc1Cn1cncn1 ZINC000012054498 556393562 /nfs/dbraw/zinc/39/35/62/556393562.db2.gz LQPFJORTLUIOAK-GOSISDBHSA-N 0 1 438.503 3.578 50 0 IHAAMN COc1ccccc1[C@@H](CNC(=O)CCc1nc(-c2ccsc2)no1)N1CCCC1 ZINC000032841472 556427180 /nfs/dbraw/zinc/42/71/80/556427180.db2.gz KGQJUYYAUKXUKL-GOSISDBHSA-N 0 1 426.542 3.693 50 0 IHAAMN COc1cc(OC)c(C2=CC[N@@H+](C[C@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860411 556447490 /nfs/dbraw/zinc/44/74/90/556447490.db2.gz CEAFUTWUMAMDHE-FQEVSTJZSA-N 0 1 427.541 3.858 50 0 IHAAMN COc1cc(OC)c(C2=CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860411 556447492 /nfs/dbraw/zinc/44/74/92/556447492.db2.gz CEAFUTWUMAMDHE-FQEVSTJZSA-N 0 1 427.541 3.858 50 0 IHAAMN COc1cc(OC)c(C2=CC[N@@H+](C[C@@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860410 556447600 /nfs/dbraw/zinc/44/76/00/556447600.db2.gz CEAFUTWUMAMDHE-HXUWFJFHSA-N 0 1 427.541 3.858 50 0 IHAAMN COc1cc(OC)c(C2=CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860410 556447602 /nfs/dbraw/zinc/44/76/02/556447602.db2.gz CEAFUTWUMAMDHE-HXUWFJFHSA-N 0 1 427.541 3.858 50 0 IHAAMN Cc1ccc(OCc2cc(C(=O)N3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)no2)cc1C ZINC000014885355 556455180 /nfs/dbraw/zinc/45/51/80/556455180.db2.gz VLACFBTWAFBDIK-KDURUIRLSA-N 0 1 427.545 3.584 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000028877352 556462807 /nfs/dbraw/zinc/46/28/07/556462807.db2.gz HCYRDZYVMRVOAC-UHFFFAOYSA-N 0 1 442.869 3.913 50 0 IHAAMN CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc(F)c1)CC2 ZINC000014987275 556473355 /nfs/dbraw/zinc/47/33/55/556473355.db2.gz OBZMPLULMLOMHK-LJQANCHMSA-N 0 1 425.508 3.586 50 0 IHAAMN CN1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000029733091 556480888 /nfs/dbraw/zinc/48/08/88/556480888.db2.gz FJLRUUQIBLNWRG-DEOSSOPVSA-N 0 1 429.568 3.617 50 0 IHAAMN CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000029966121 556487672 /nfs/dbraw/zinc/48/76/72/556487672.db2.gz YXDOEVJCELNDEO-UHFFFAOYSA-N 0 1 438.391 3.700 50 0 IHAAMN CSc1cccc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1 ZINC000015079262 556500217 /nfs/dbraw/zinc/50/02/17/556500217.db2.gz QAKLZUOBSAEWTF-GASCZTMLSA-N 0 1 430.599 3.657 50 0 IHAAMN COc1ccc(NC(=O)NCCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000032885623 556510088 /nfs/dbraw/zinc/51/00/88/556510088.db2.gz JQQIMWYAUSUJHI-NRFANRHFSA-N 0 1 444.963 3.814 50 0 IHAAMN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1cnc[nH]1)OC1(CCCCC1)CC3 ZINC000013570782 556521812 /nfs/dbraw/zinc/52/18/12/556521812.db2.gz NKMOCYSSZXQEEZ-UHFFFAOYSA-N 0 1 435.524 3.754 50 0 IHAAMN CC1(C)Cc2c(sc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C(=O)[O-])CO1 ZINC000013608256 556533771 /nfs/dbraw/zinc/53/37/71/556533771.db2.gz NQSICJYBEGFVSH-UHFFFAOYSA-N 0 1 429.542 3.647 50 0 IHAAMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000072304591 556548868 /nfs/dbraw/zinc/54/88/68/556548868.db2.gz MNEIJRYXAWZPLP-UHFFFAOYSA-N 0 1 438.572 3.618 50 0 IHAAMN Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000015940832 556566328 /nfs/dbraw/zinc/56/63/28/556566328.db2.gz ZWFDFVHCQGZZQC-UHFFFAOYSA-N 0 1 447.004 3.711 50 0 IHAAMN CCc1nnc2c(NCCN3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 ZINC000016162636 556586735 /nfs/dbraw/zinc/58/67/35/556586735.db2.gz OHQMXJQXBRHZCK-UHFFFAOYSA-N 0 1 435.963 3.727 50 0 IHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000016189150 556588510 /nfs/dbraw/zinc/58/85/10/556588510.db2.gz LNFFBYRRYDNVCZ-UHFFFAOYSA-N 0 1 433.961 3.609 50 0 IHAAMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000032915600 556612722 /nfs/dbraw/zinc/61/27/22/556612722.db2.gz YXGGNSNXZMSBFS-UHFFFAOYSA-N 0 1 432.572 3.889 50 0 IHAAMN CC(C)c1nnc(-c2cccnc2N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)o1 ZINC000097937984 556627749 /nfs/dbraw/zinc/62/77/49/556627749.db2.gz WUHAIRNOECFMRI-UHFFFAOYSA-N 0 1 449.540 3.669 50 0 IHAAMN O=C([O-])c1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000018114651 556684076 /nfs/dbraw/zinc/68/40/76/556684076.db2.gz FDKZDJZNYCIBNW-SFHVURJKSA-N 0 1 435.505 3.506 50 0 IHAAMN COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@]2([O-])C(F)(F)F)n1 ZINC000247811284 556686429 /nfs/dbraw/zinc/68/64/29/556686429.db2.gz CRGDPZWFEPSJKV-LXIYXOSZSA-N 0 1 425.432 3.941 50 0 IHAAMN O=C(Cc1ccccc1Cl)N1CCc2[nH]nc(C(=O)N[C@@H]3CCCc4ccccc43)c2C1 ZINC000034797164 556704483 /nfs/dbraw/zinc/70/44/83/556704483.db2.gz WZHBVMKTWFKQIN-OAQYLSRUSA-N 0 1 448.954 3.998 50 0 IHAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000058158812 556763480 /nfs/dbraw/zinc/76/34/80/556763480.db2.gz NAGQDLNGZSWQAK-RTBURBONSA-N 0 1 426.483 3.633 50 0 IHAAMN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000058324604 556780607 /nfs/dbraw/zinc/78/06/07/556780607.db2.gz KMIQDJQYESXJTA-UHFFFAOYSA-N 0 1 428.539 3.647 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000097940885 556810452 /nfs/dbraw/zinc/81/04/52/556810452.db2.gz GCJNAMQDFXWLOM-UHFFFAOYSA-N 0 1 428.514 3.713 50 0 IHAAMN COc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071299 556851547 /nfs/dbraw/zinc/85/15/47/556851547.db2.gz VXWKSBQNGSDZTM-HNNXBMFYSA-N 0 1 443.345 3.867 50 0 IHAAMN COC(=O)c1sc2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2c1OC ZINC000033123574 556864231 /nfs/dbraw/zinc/86/42/31/556864231.db2.gz BXXUAKWNJJPZJL-UHFFFAOYSA-N 0 1 448.522 3.764 50 0 IHAAMN COc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000019774166 556913494 /nfs/dbraw/zinc/91/34/94/556913494.db2.gz XCFSNCDXNRXXEA-FQEVSTJZSA-N 0 1 440.563 3.570 50 0 IHAAMN COc1ccc(CN2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c(C)c1C ZINC000020207837 556998340 /nfs/dbraw/zinc/99/83/40/556998340.db2.gz CYTCEHJHAJONCB-QHCPKHFHSA-N 0 1 434.584 3.567 50 0 IHAAMN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000023736089 557112020 /nfs/dbraw/zinc/11/20/20/557112020.db2.gz ZZYQLANOQAYZLR-DEOSSOPVSA-N 0 1 449.595 3.699 50 0 IHAAMN C[C@@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000024572638 557151571 /nfs/dbraw/zinc/15/15/71/557151571.db2.gz QWEPIRRBZOQCGP-AJTFRIOCSA-N 0 1 435.612 3.519 50 0 IHAAMN Cc1ccc(NC(=O)[C@H](NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 ZINC000025672252 557221184 /nfs/dbraw/zinc/22/11/84/557221184.db2.gz RBYMEWREEWPKJW-OAQYLSRUSA-N 0 1 434.540 3.519 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCc2ccc(C(N)=O)cc2)c1 ZINC000011240474 557227748 /nfs/dbraw/zinc/22/77/48/557227748.db2.gz LLGKZZVGRYQCEU-UHFFFAOYSA-N 0 1 438.505 3.560 50 0 IHAAMN COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccc(C(C)=O)cc4)c(O)c23)cc1 ZINC000101362089 557276972 /nfs/dbraw/zinc/27/69/72/557276972.db2.gz FHYAABJNXLNRNY-ISKFKSNPSA-N 0 1 439.471 3.680 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000101497644 557289532 /nfs/dbraw/zinc/28/95/32/557289532.db2.gz NDDHVRMRJDUPCL-UHFFFAOYSA-N 0 1 442.928 3.561 50 0 IHAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102743883 557377122 /nfs/dbraw/zinc/37/71/22/557377122.db2.gz UIBYGIRRCNPPCR-DNVJHFABSA-N 0 1 430.460 3.842 50 0 IHAAMN CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000106807734 557532672 /nfs/dbraw/zinc/53/26/72/557532672.db2.gz JOHRRPUZINTVMC-LDBYXDLTSA-N 0 1 433.936 3.996 50 0 IHAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000226815376 557809461 /nfs/dbraw/zinc/80/94/61/557809461.db2.gz QBRWSSZSUDHTHM-YTFSRNRJSA-N 0 1 448.450 3.981 50 0 IHAAMN COc1cccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2Cc2ccccc2)c1OC ZINC000239366928 557844267 /nfs/dbraw/zinc/84/42/67/557844267.db2.gz AGUDQAWLMIOHIC-FQEVSTJZSA-N 0 1 433.556 3.685 50 0 IHAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]n2)c(O)c1 ZINC000008845651 562965148 /nfs/dbraw/zinc/96/51/48/562965148.db2.gz GIQLSYUQGQPQSU-UHFFFAOYSA-N 0 1 440.525 3.518 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COCC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984784 568623396 /nfs/dbraw/zinc/62/33/96/568623396.db2.gz GQIYZWJBAHIZBS-LADGPHEKSA-N 0 1 444.547 3.863 50 0 IHAAMN CC(C)[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299799842 568757879 /nfs/dbraw/zinc/75/78/79/568757879.db2.gz UPJVBEABNZBXMJ-FXAWDEMLSA-N 0 1 427.511 3.791 50 0 IHAAMN CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004292053 568808183 /nfs/dbraw/zinc/80/81/83/568808183.db2.gz XOEDFNHWLWTHFV-NRFANRHFSA-N 0 1 425.529 3.732 50 0 IHAAMN COc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)c(C)c1C ZINC000104488672 568837353 /nfs/dbraw/zinc/83/73/53/568837353.db2.gz MBBYZTWOBHBYSX-XMMPIXPASA-N 0 1 434.584 3.771 50 0 IHAAMN CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)[nH]n4)CC3)nc2)no1 ZINC000090558857 568887692 /nfs/dbraw/zinc/88/76/92/568887692.db2.gz HKFDAVYNMLMVQO-UHFFFAOYSA-N 0 1 449.540 3.669 50 0 IHAAMN CCn1c(SCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1cccs1 ZINC000013010138 568899750 /nfs/dbraw/zinc/89/97/50/568899750.db2.gz VDATXUAKAJHTPL-QGZVFWFLSA-N 0 1 427.599 3.509 50 0 IHAAMN C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241160512 568912081 /nfs/dbraw/zinc/91/20/81/568912081.db2.gz JXXCWRCDPROSNO-URXFXBBRSA-N 0 1 449.595 3.718 50 0 IHAAMN C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589031 568934784 /nfs/dbraw/zinc/93/47/84/568934784.db2.gz MOVJTRCOQBSSLB-UHFFFAOYSA-N 0 1 432.318 3.542 50 0 IHAAMN CCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)n1C ZINC000064863262 568975296 /nfs/dbraw/zinc/97/52/96/568975296.db2.gz NWXFUKXAEQVROH-UHFFFAOYSA-N 0 1 429.336 3.690 50 0 IHAAMN Cc1ccccc1Cc1c(C)nc(C)nc1N1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000036340116 569078795 /nfs/dbraw/zinc/07/87/95/569078795.db2.gz YJUDIAKMCXPJJE-RUZDIDTESA-N 0 1 430.596 3.718 50 0 IHAAMN Fc1ccc(Br)cc1-c1nnc2sc(-c3[nH]ncc3Br)nn21 ZINC000036358830 569085386 /nfs/dbraw/zinc/08/53/86/569085386.db2.gz CTNQCXWYLNDGQC-UHFFFAOYSA-N 0 1 444.087 3.907 50 0 IHAAMN Cc1ccc(-n2cc3c(c(C(=O)NCCN4CCCC[C@@H]4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000480 569086048 /nfs/dbraw/zinc/08/60/48/569086048.db2.gz CCKJHTMXRTTZQW-IBGZPJMESA-N 0 1 449.595 3.905 50 0 IHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000036370442 569088538 /nfs/dbraw/zinc/08/85/38/569088538.db2.gz LBZWKNDPUBTGPH-WMLDXEAASA-N 0 1 432.521 3.562 50 0 IHAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)c1 ZINC000065097663 569103931 /nfs/dbraw/zinc/10/39/31/569103931.db2.gz ZZZIMXITZSSXQS-UHFFFAOYSA-N 0 1 446.554 3.706 50 0 IHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000065116057 569107146 /nfs/dbraw/zinc/10/71/46/569107146.db2.gz ZZTMEEDMUGHUJA-UHFFFAOYSA-N 0 1 433.461 3.865 50 0 IHAAMN Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000065183846 569113944 /nfs/dbraw/zinc/11/39/44/569113944.db2.gz MOLQTYGSUGEQPV-UHFFFAOYSA-N 0 1 433.328 3.925 50 0 IHAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1C ZINC000065194623 569114720 /nfs/dbraw/zinc/11/47/20/569114720.db2.gz LPAQIGOVTKFJFY-UHFFFAOYSA-N 0 1 443.529 3.811 50 0 IHAAMN O=C(NCCN1CCCCC1)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000065201501 569116223 /nfs/dbraw/zinc/11/62/23/569116223.db2.gz STGDRNKSHVJPIB-UHFFFAOYSA-N 0 1 431.989 3.816 50 0 IHAAMN Cc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cn1 ZINC000065265683 569127144 /nfs/dbraw/zinc/12/71/44/569127144.db2.gz JDTQADFPPWWRMN-RUZDIDTESA-N 0 1 426.524 3.705 50 0 biogenic IHAAMN CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)N2CCN(C4CCCC4)CC2)C3)CC1 ZINC000065272649 569129130 /nfs/dbraw/zinc/12/91/30/569129130.db2.gz YOKLUUMLGAOWQK-LJQANCHMSA-N 0 1 443.657 3.812 50 0 IHAAMN NC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1N1CCCCC1 ZINC000170626681 569148716 /nfs/dbraw/zinc/14/87/16/569148716.db2.gz RYYAVAAHGQRUIJ-UHFFFAOYSA-N 0 1 428.341 3.883 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCCC1 ZINC000016959591 569167866 /nfs/dbraw/zinc/16/78/66/569167866.db2.gz OJAHTXRJYZPEJQ-UHFFFAOYSA-N 0 1 433.936 3.534 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000017012431 569170648 /nfs/dbraw/zinc/17/06/48/569170648.db2.gz 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O=C(c1cccc(I)c1)N1CCCN(Cc2cccs2)CC1 ZINC000028037938 569398157 /nfs/dbraw/zinc/39/81/57/569398157.db2.gz QRHPHVNEMWTJKJ-UHFFFAOYSA-N 0 1 426.323 3.701 50 0 IHAAMN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414731 569433923 /nfs/dbraw/zinc/43/39/23/569433923.db2.gz BFZJRJMESKIQAQ-XMMPIXPASA-N 0 1 447.535 3.656 50 0 IHAAMN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Br ZINC000031721746 569457076 /nfs/dbraw/zinc/45/70/76/569457076.db2.gz JTTAXBKEKVQPQF-UHFFFAOYSA-N 0 1 444.372 3.966 50 0 IHAAMN CCN(CC)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl ZINC000032316753 569461162 /nfs/dbraw/zinc/46/11/62/569461162.db2.gz WPSSOSDNVKTMOL-LJQANCHMSA-N 0 1 431.989 3.978 50 0 IHAAMN O=C1NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694600 569470094 /nfs/dbraw/zinc/47/00/94/569470094.db2.gz DRZXBJKKIOTUEP-GCJKJVERSA-N 0 1 443.425 3.890 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(s1)CCCCC2 ZINC000008720262 569471568 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CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000245327080 569503739 /nfs/dbraw/zinc/50/37/39/569503739.db2.gz IRBVFSQTUWEQPF-FCHUYYIVSA-N 0 1 443.588 3.710 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)c(OC)c1 ZINC000009152520 569507789 /nfs/dbraw/zinc/50/77/89/569507789.db2.gz NSUSOMZLOSNSCH-AWEZNQCLSA-N 0 1 430.526 3.582 50 0 IHAAMN CCN1c2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009170663 569509279 /nfs/dbraw/zinc/50/92/79/569509279.db2.gz MEBGUVNMZHZVFN-UHFFFAOYSA-N 0 1 432.542 3.884 50 0 IHAAMN CN(C)S(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000009593813 569550462 /nfs/dbraw/zinc/55/04/62/569550462.db2.gz YNYXLFLGRXCYES-UHFFFAOYSA-N 0 1 447.576 3.849 50 0 IHAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)n2)cc1 ZINC000009669643 569558129 /nfs/dbraw/zinc/55/81/29/569558129.db2.gz WCWNAHHQSBEVGH-LBPRGKRZSA-N 0 1 441.582 3.796 50 0 IHAAMN COc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc(Br)c1O ZINC000009805818 569568798 /nfs/dbraw/zinc/56/87/98/569568798.db2.gz CLQNERHODUUYGP-UHFFFAOYSA-N 0 1 432.274 3.905 50 0 IHAAMN COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1OC ZINC000010233109 569579496 /nfs/dbraw/zinc/57/94/96/569579496.db2.gz RDSHIZOGBXRTCI-QFIPXVFZSA-N 0 1 436.508 3.534 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)n1 ZINC000010381915 569581752 /nfs/dbraw/zinc/58/17/52/569581752.db2.gz GQQWZJHETMMBPM-UHFFFAOYSA-N 0 1 439.522 3.756 50 0 IHAAMN Cc1cccc(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)C[C@@H]2C)c1 ZINC000006804181 132279329 /nfs/dbraw/zinc/27/93/29/132279329.db2.gz YVBYTYWPSWCLGU-NKKJXINNSA-N 0 1 427.614 3.795 50 0 IHAAMN O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009130447 132306009 /nfs/dbraw/zinc/30/60/09/132306009.db2.gz WTONRKKCDLNFPJ-UHFFFAOYSA-N 0 1 440.916 3.872 50 0 IHAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CC(=O)Nc2ccccc21 ZINC000009356058 132314389 /nfs/dbraw/zinc/31/43/89/132314389.db2.gz CRFGWTCQBMJKSQ-UHFFFAOYSA-N 0 1 441.896 3.740 50 0 IHAAMN CCN1CCN(c2ncnc3sc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)CC1 ZINC000009742594 132328065 /nfs/dbraw/zinc/32/80/65/132328065.db2.gz PKTKOYHLFPOWMY-UHFFFAOYSA-N 0 1 425.558 3.711 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Br)CC1 ZINC000009934592 132332067 /nfs/dbraw/zinc/33/20/67/132332067.db2.gz BMXHBHMNRUOWGH-UHFFFAOYSA-N 0 1 446.345 3.630 50 0 IHAAMN COc1ccc(OCCN2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000013163399 132346038 /nfs/dbraw/zinc/34/60/38/132346038.db2.gz ZHQDVAWERWOELY-UHFFFAOYSA-N 0 1 432.446 3.858 50 0 IHAAMN CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccoc1)CC2 ZINC000014534733 519652770 /nfs/dbraw/zinc/65/27/70/519652770.db2.gz YKCSXCPFRMHMPS-UHFFFAOYSA-N 0 1 438.572 3.952 50 0 IHAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21 ZINC000016012914 519806721 /nfs/dbraw/zinc/80/67/21/519806721.db2.gz OBUYDIXKFNSQRN-ORGXJRBJSA-N 0 1 444.318 3.574 50 0 IHAAMN CCOC(=O)C1C(CN2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530943 520512692 /nfs/dbraw/zinc/51/26/92/520512692.db2.gz ZBQSSJLIMGTJJC-HYBUGGRVSA-N 0 1 449.551 3.746 50 0 IHAAMN CCOC(=O)C1=C(CNCc2ccccc2Cl)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412517 520519792 /nfs/dbraw/zinc/51/97/92/520519792.db2.gz BDAJASCCKRYGIS-NRFANRHFSA-N 0 1 427.932 3.918 50 0 IHAAMN CCOC(=O)C1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000015879595 520577472 /nfs/dbraw/zinc/57/74/72/520577472.db2.gz AQDFFXPXIYYFSL-LJQANCHMSA-N 0 1 436.346 3.617 50 0 IHAAMN CCOc1cc(Nc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nc(C)n1 ZINC000012226318 520765822 /nfs/dbraw/zinc/76/58/22/520765822.db2.gz PXVRSCKUALEICC-UHFFFAOYSA-N 0 1 444.513 3.745 50 0 IHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000022853409 521301103 /nfs/dbraw/zinc/30/11/03/521301103.db2.gz BSKKTIHAIIMXPA-WMZOPIPTSA-N 0 1 428.558 3.732 50 0 IHAAMN CCN1CCN([C@H](c2c(C)c(C)sc2NC(C)=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021670000 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/nfs/dbraw/zinc/30/00/57/557300057.db2.gz UWWWIQBYSLGPKE-UHFFFAOYSA-N 0 1 442.406 3.939 50 0 IHAAMN C[C@H]1CCCCN1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307196 557333452 /nfs/dbraw/zinc/33/34/52/557333452.db2.gz MPQVCICHDHRVRZ-INIZCTEOSA-N 0 1 444.532 3.695 50 0 IHAAMN Cn1c2cc(NS(=O)(=O)c3ccccc3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000045941149 557549522 /nfs/dbraw/zinc/54/95/22/557549522.db2.gz OXXUVJJMNXNALR-UHFFFAOYSA-N 0 1 443.525 3.968 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1 ZINC000003236275 562933173 /nfs/dbraw/zinc/93/31/73/562933173.db2.gz PSSCPFLULYANCM-UHFFFAOYSA-N 0 1 430.482 3.967 50 0 IHAAMN Cc1sc2nc3c(C(=O)N4CCCC4)cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C ZINC000003418967 562935451 /nfs/dbraw/zinc/93/54/51/562935451.db2.gz JEKWSVXAVSBYDR-UHFFFAOYSA-N 0 1 447.516 3.699 50 0 IHAAMN COc1ccc(-c2cc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)[nH]n2)c(OC)c1 ZINC000008603007 562955876 /nfs/dbraw/zinc/95/58/76/562955876.db2.gz NNGVKZQIPMHMAY-UHFFFAOYSA-N 0 1 438.440 3.837 50 0 IHAAMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000009671625 562975160 /nfs/dbraw/zinc/97/51/60/562975160.db2.gz PWLSSSMPMVFUFZ-HSZRJFAPSA-N 0 1 437.565 3.829 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COCC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104984599 568623415 /nfs/dbraw/zinc/62/34/15/568623415.db2.gz VSUOEWAHGMWLOZ-LADGPHEKSA-N 0 1 426.557 3.724 50 0 IHAAMN O[C@@H](COCc1ccco1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985232 568623546 /nfs/dbraw/zinc/62/35/46/568623546.db2.gz WDTGGJSRMKQODF-IFMALSPDSA-N 0 1 438.499 3.992 50 0 IHAAMN COc1ccc(-c2nc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cs2)cc1OC ZINC000018948041 568628987 /nfs/dbraw/zinc/62/89/87/568628987.db2.gz MQLHIROFDPKNEL-UHFFFAOYSA-N 0 1 438.553 3.831 50 0 IHAAMN COC(=O)[C@](NC(=O)c1ccc(F)cc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000015277123 568754274 /nfs/dbraw/zinc/75/42/74/568754274.db2.gz HXCOECQNAMADFY-KRWDZBQOSA-N 0 1 427.379 3.709 50 0 IHAAMN CCOC(=O)C1C(CSc2nc3cccnc3[nH]2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422897 568793360 /nfs/dbraw/zinc/79/33/60/568793360.db2.gz SBMGOFPXMGWFBO-GOSISDBHSA-N 0 1 437.525 3.538 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccn4cncc4c3)ccc2C)cc1 ZINC000084190106 568796004 /nfs/dbraw/zinc/79/60/04/568796004.db2.gz DKBIIGDABUVDFH-UHFFFAOYSA-N 0 1 436.493 3.704 50 0 IHAAMN COc1ccc(C)cc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000015669392 568801964 /nfs/dbraw/zinc/80/19/64/568801964.db2.gz RPWPTJHWJZSILK-UHFFFAOYSA-N 0 1 439.537 3.742 50 0 IHAAMN Cc1cc2c(cc1S(=O)(=O)NCCN1CCC(C)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733772 568816000 /nfs/dbraw/zinc/81/60/00/568816000.db2.gz ZEXODNMZWBBHLH-UHFFFAOYSA-N 0 1 431.602 3.642 50 0 IHAAMN COc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1Br ZINC000001513477 568839351 /nfs/dbraw/zinc/83/93/51/568839351.db2.gz FGIJWMPUUUCFDO-SFHVURJKSA-N 0 1 431.286 3.829 50 0 IHAAMN COc1cccc(NC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)N3)CCCC2)c1 ZINC000015827010 568840953 /nfs/dbraw/zinc/84/09/53/568840953.db2.gz ZPYLWMLWIAZWDE-UHFFFAOYSA-N 0 1 427.526 3.996 50 0 IHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000090607875 568890424 /nfs/dbraw/zinc/89/04/24/568890424.db2.gz UYYPJTFSEGOAQY-UHFFFAOYSA-N 0 1 430.434 3.949 50 0 IHAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245311323 568914649 /nfs/dbraw/zinc/91/46/49/568914649.db2.gz NLLYAYVSSXMHDM-FCBCXNLDSA-N 0 1 442.446 3.981 50 0 IHAAMN CC(=O)[C@@H]1C(C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245311323 568914650 /nfs/dbraw/zinc/91/46/50/568914650.db2.gz NLLYAYVSSXMHDM-FCBCXNLDSA-N 0 1 442.446 3.981 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc(F)cc2)c1 ZINC000026738193 568915619 /nfs/dbraw/zinc/91/56/19/568915619.db2.gz WDWIOGUUWGWNTH-UHFFFAOYSA-N 0 1 444.484 3.825 50 0 IHAAMN Cc1ccccc1Cc1c(C)nc(C)nc1N1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000036340117 569078798 /nfs/dbraw/zinc/07/87/98/569078798.db2.gz YJUDIAKMCXPJJE-VWLOTQADSA-N 0 1 430.596 3.718 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344672 569080284 /nfs/dbraw/zinc/08/02/84/569080284.db2.gz KXWOFYMASZJJPD-DEOSSOPVSA-N 0 1 434.584 3.627 50 0 IHAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010869 569088252 /nfs/dbraw/zinc/08/82/52/569088252.db2.gz UMMFTONVONDOAA-UHFFFAOYSA-N 0 1 442.537 3.940 50 0 IHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000065116035 569107211 /nfs/dbraw/zinc/10/72/11/569107211.db2.gz RXEGFRHUQFJEHT-UHFFFAOYSA-N 0 1 433.461 3.865 50 0 IHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241527 569118700 /nfs/dbraw/zinc/11/87/00/569118700.db2.gz DZRVYWXZPNJVAA-UHFFFAOYSA-N 0 1 425.466 3.582 50 0 IHAAMN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000002228989 569208245 /nfs/dbraw/zinc/20/82/45/569208245.db2.gz DANMTOWDLOVEFN-UHFFFAOYSA-N 0 1 435.505 3.718 50 0 IHAAMN COc1ccc(NC(=O)C[C@H](c2ccc(OC)c(O)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470711 569282443 /nfs/dbraw/zinc/28/24/43/569282443.db2.gz AJOSWSXQISZEED-QGZVFWFLSA-N 0 1 425.437 3.537 50 0 IHAAMN CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000002428112 569302764 /nfs/dbraw/zinc/30/27/64/569302764.db2.gz NPYWQLDQNBCNII-GOSISDBHSA-N 0 1 427.298 3.662 50 0 IHAAMN Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nn2)n1 ZINC000013010164 569306721 /nfs/dbraw/zinc/30/67/21/569306721.db2.gz HHBDLPDFRIAXKH-UHFFFAOYSA-N 0 1 438.488 3.963 50 0 IHAAMN COc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n[nH]2)cc1OC ZINC000095476735 569373189 /nfs/dbraw/zinc/37/31/89/569373189.db2.gz MHCVMTNJOXJJID-UHFFFAOYSA-N 0 1 441.915 3.871 50 0 IHAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115713 569383405 /nfs/dbraw/zinc/38/34/05/569383405.db2.gz SGQHNJWAHJFAPT-AWEZNQCLSA-N 0 1 425.400 3.649 50 0 biogenic IHAAMN CCC(CC)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)CC1 ZINC000096363750 569397777 /nfs/dbraw/zinc/39/77/77/569397777.db2.gz ZNBXHJVEUFEKHT-UHFFFAOYSA-N 0 1 436.600 3.799 50 0 IHAAMN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225690198 569407119 /nfs/dbraw/zinc/40/71/19/569407119.db2.gz YHVMTGAAWRCIHP-UHFFFAOYSA-N 0 1 446.516 3.858 50 0 IHAAMN Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)n[nH]2)c1 ZINC000225734195 569407667 /nfs/dbraw/zinc/40/76/67/569407667.db2.gz OOUHEYJVKJDDBQ-UHFFFAOYSA-N 0 1 444.461 3.773 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000003368317 569448242 /nfs/dbraw/zinc/44/82/42/569448242.db2.gz XPYDBQPBJDVOLW-UHFFFAOYSA-N 0 1 442.493 3.766 50 0 IHAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000058150990 569448908 /nfs/dbraw/zinc/44/89/08/569448908.db2.gz WUXGMAPRIXVLEN-HFTQHKIXSA-N 0 1 425.504 3.587 50 0 IHAAMN O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031338972 569456033 /nfs/dbraw/zinc/45/60/33/569456033.db2.gz XFGAAYKMSNYRQN-DEOSSOPVSA-N 0 1 441.575 3.867 50 0 IHAAMN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1OC(C)C ZINC000031811142 569457681 /nfs/dbraw/zinc/45/76/81/569457681.db2.gz GTXODVHFYJKLHE-AWEZNQCLSA-N 0 1 433.472 3.766 50 0 IHAAMN Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1C ZINC000059409686 569461214 /nfs/dbraw/zinc/46/12/14/569461214.db2.gz IYVNGAUMUARQSV-MIUQLTIPSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)n[nH]1 ZINC000038651931 569465763 /nfs/dbraw/zinc/46/57/63/569465763.db2.gz LCGUJECPXJSRNI-UHFFFAOYSA-N 0 1 428.489 3.627 50 0 IHAAMN CCOC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286890 569467110 /nfs/dbraw/zinc/46/71/10/569467110.db2.gz TWBSSNUGGDGTOC-JOCHJYFZSA-N 0 1 437.565 3.638 50 0 IHAAMN CCn1c(CSc2nc3ccc(C)cc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000008569532 569469170 /nfs/dbraw/zinc/46/91/70/569469170.db2.gz ZIKGITZUKDLQON-UHFFFAOYSA-N 0 1 429.571 3.784 50 0 IHAAMN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000008778958 569475502 /nfs/dbraw/zinc/47/55/02/569475502.db2.gz QQXMAYXNZDQBEB-UHFFFAOYSA-N 0 1 441.896 3.888 50 0 IHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1OC ZINC000008845134 569478697 /nfs/dbraw/zinc/47/86/97/569478697.db2.gz LPKCPXAILQJYBX-DEOSSOPVSA-N 0 1 442.475 3.940 50 0 IHAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3cccc(F)c3)cc21 ZINC000040450370 569506245 /nfs/dbraw/zinc/50/62/45/569506245.db2.gz VRTSPGZIKFCKDD-UHFFFAOYSA-N 0 1 427.295 3.688 50 0 IHAAMN Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)C2CC2)c(C)c1 ZINC000245328736 569503959 /nfs/dbraw/zinc/50/39/59/569503959.db2.gz PEBKOSGAWPWCHE-GHTZIAJQSA-N 0 1 428.598 3.715 50 0 IHAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000009124002 569504315 /nfs/dbraw/zinc/50/43/15/569504315.db2.gz TWGPXKOWBGAJHP-IQMFZBJNSA-N 0 1 435.480 3.524 50 0 IHAAMN CCCN1c2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc2OCC(C)(C)C1=O ZINC000009167663 569509115 /nfs/dbraw/zinc/50/91/15/569509115.db2.gz VJNHSSNCFXLWLJ-UHFFFAOYSA-N 0 1 448.541 3.666 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=S)Nc2cccnc2)c1 ZINC000009561968 569547223 /nfs/dbraw/zinc/54/72/23/569547223.db2.gz YHMFGXIRBMJXLQ-UHFFFAOYSA-N 0 1 444.538 3.709 50 0 IHAAMN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)CC2)c1ccco1 ZINC000070638471 569549013 /nfs/dbraw/zinc/54/90/13/569549013.db2.gz GMWWITGWQMZQPE-UHFFFAOYSA-N 0 1 437.456 3.716 50 0 IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3c(C)cccc3C)c2)on1 ZINC000009637568 569554780 /nfs/dbraw/zinc/55/47/80/569554780.db2.gz RXRSFLXRGGGUDF-UHFFFAOYSA-N 0 1 430.482 3.945 50 0 IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)on1 ZINC000009637657 569554866 /nfs/dbraw/zinc/55/48/66/569554866.db2.gz KRCDYHDOZBIZCA-UHFFFAOYSA-N 0 1 430.482 3.945 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1Cl ZINC000009685118 569560650 /nfs/dbraw/zinc/56/06/50/569560650.db2.gz DUYDJKGYMUNXAG-UHFFFAOYSA-N 0 1 439.965 3.731 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009711847 569562064 /nfs/dbraw/zinc/56/20/64/569562064.db2.gz SPRKVBCXDRMPIL-OAQYLSRUSA-N 0 1 428.492 3.546 50 0 IHAAMN CNC(=O)NC(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 ZINC000009724505 569563688 /nfs/dbraw/zinc/56/36/88/569563688.db2.gz UBJSKFKZQPFTDP-CQSZACIVSA-N 0 1 446.330 3.523 50 0 IHAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000009778755 569567339 /nfs/dbraw/zinc/56/73/39/569567339.db2.gz HUAVBOZNVFIFNK-YADHBBJMSA-N 0 1 430.435 3.977 50 0 IHAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778812 569567353 /nfs/dbraw/zinc/56/73/53/569567353.db2.gz OYHOSWFJEZDWDS-FGZHOGPDSA-N 0 1 430.435 3.895 50 0 IHAAMN COc1cc(COCC2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc(OC)c1 ZINC000077191440 569585953 /nfs/dbraw/zinc/58/59/53/569585953.db2.gz JVFARXIYNLUSKN-UHFFFAOYSA-N 0 1 446.975 3.902 50 0 IHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)CC1 ZINC000009353517 132314211 /nfs/dbraw/zinc/31/42/11/132314211.db2.gz SFISUZAKMQAABC-UHFFFAOYSA-N 0 1 429.948 3.823 50 0 IHAAMN COc1ccc(NC(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)cc1Cl ZINC000009742522 132328097 /nfs/dbraw/zinc/32/80/97/132328097.db2.gz GSQIAQIQINSODU-UHFFFAOYSA-N 0 1 431.949 3.666 50 0 IHAAMN COc1ccc(NC(=S)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000009850598 132330272 /nfs/dbraw/zinc/33/02/72/132330272.db2.gz JBWWJPMGZIYNEA-UHFFFAOYSA-N 0 1 436.984 3.986 50 0 IHAAMN CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022466179 519042748 /nfs/dbraw/zinc/04/27/48/519042748.db2.gz XPIDTUQNYCBJCL-DEOSSOPVSA-N 0 1 426.601 3.558 50 0 IHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020678068 521629618 /nfs/dbraw/zinc/62/96/18/521629618.db2.gz NYVLPXFWMODWMI-UHFFFAOYSA-N 0 1 449.599 3.910 50 0 IHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ccc3cc(Br)ccc32)c1 ZINC000020736118 521690035 /nfs/dbraw/zinc/69/00/35/521690035.db2.gz CAALYXCYLBKDIW-UHFFFAOYSA-N 0 1 437.315 3.542 50 0 IHAAMN COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2OC)c1 ZINC000012544867 522251326 /nfs/dbraw/zinc/25/13/26/522251326.db2.gz PEZMSIMHRVRUJJ-UHFFFAOYSA-N 0 1 440.477 3.535 50 0 IHAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000020726665 523611100 /nfs/dbraw/zinc/61/11/00/523611100.db2.gz ZUCJBLACTHVRBP-DOTOQJQBSA-N 0 1 425.316 3.571 50 0 IHAAMN COc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)c(F)c1 ZINC000012281896 524038563 /nfs/dbraw/zinc/03/85/63/524038563.db2.gz HNEMRSYKXPZDLI-NQIIRXRSSA-N 0 1 426.488 3.576 50 0 IHAAMN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000020784663 524056650 /nfs/dbraw/zinc/05/66/50/524056650.db2.gz BGFKNALBIOFMDI-MHZLTWQESA-N 0 1 430.596 3.842 50 0 IHAAMN COc1ccc(CNCc2cccn2-c2nnc(N3CCC(C)CC3)s2)c(OC)c1 ZINC000020576438 524073203 /nfs/dbraw/zinc/07/32/03/524073203.db2.gz UJOVWSCQXABXIP-UHFFFAOYSA-N 0 1 427.574 3.872 50 0 IHAAMN C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000035421905 524303363 /nfs/dbraw/zinc/30/33/63/524303363.db2.gz DTLIIHIPEXQZPN-QGZVFWFLSA-N 0 1 431.939 3.547 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1C ZINC000012536192 524640428 /nfs/dbraw/zinc/64/04/28/524640428.db2.gz SJFTXKZZSGZBCT-NRFANRHFSA-N 0 1 438.505 3.747 50 0 IHAAMN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022919005 526216277 /nfs/dbraw/zinc/21/62/77/526216277.db2.gz HFJCJAQVBAABFY-FQEVSTJZSA-N 0 1 442.563 3.721 50 0 IHAAMN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000012875626 526581115 /nfs/dbraw/zinc/58/11/15/526581115.db2.gz ULDJZODPCCYPEU-HYBUGGRVSA-N 0 1 431.536 3.663 50 0 IHAAMN O=C(c1n[nH]c2c1CCC2)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012437667 526911959 /nfs/dbraw/zinc/91/19/59/526911959.db2.gz FUNNFBTXRCWBNB-HXUWFJFHSA-N 0 1 440.563 3.571 50 0 IHAAMN O=S(=O)(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(Cl)cc1 ZINC000035598042 527247741 /nfs/dbraw/zinc/24/77/41/527247741.db2.gz QJBAJRJDSYJPPZ-UHFFFAOYSA-N 0 1 442.972 3.858 50 0 IHAAMN O=c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccc(Br)cn12 ZINC000012567478 527476888 /nfs/dbraw/zinc/47/68/88/527476888.db2.gz CGFCZLKHVCWCMD-KRWDZBQOSA-N 0 1 442.313 3.565 50 0 IHAAMN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCc1cc(-c3ccccc3)on1)C2 ZINC000014733413 527540564 /nfs/dbraw/zinc/54/05/64/527540564.db2.gz PSAYSFSOWDCFJD-IBGZPJMESA-N 0 1 433.556 3.738 50 0 IHAAMN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000913103 555582861 /nfs/dbraw/zinc/58/28/61/555582861.db2.gz BXRJPUFWPKJPOD-DZGCQCFKSA-N 0 1 441.340 3.807 50 0 IHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000002856042 555841708 /nfs/dbraw/zinc/84/17/08/555841708.db2.gz BOLOEHNUAUCQJS-UHFFFAOYSA-N 0 1 425.539 3.575 50 0 IHAAMN C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 ZINC000006268999 556083336 /nfs/dbraw/zinc/08/33/36/556083336.db2.gz KYPMJLPHIJGLIC-INIZCTEOSA-N 0 1 437.521 3.801 50 0 IHAAMN Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000009909001 556316230 /nfs/dbraw/zinc/31/62/30/556316230.db2.gz SJORDMJDMOEXCL-UHFFFAOYSA-N 0 1 449.941 3.708 50 0 IHAAMN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000032754941 556324436 /nfs/dbraw/zinc/32/44/36/556324436.db2.gz QQQQTGTYDRGVFZ-UHFFFAOYSA-N 0 1 448.969 3.927 50 0 IHAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cccc4c3OCO4)CC2)c1 ZINC000011661218 556343034 /nfs/dbraw/zinc/34/30/34/556343034.db2.gz YYFUJJVWTKVPRW-UHFFFAOYSA-N 0 1 438.524 3.703 50 0 IHAAMN Cc1ccc2occ(CN3CCC[C@H](CNC(=O)c4[nH]nc5ccccc54)C3)c(=O)c2c1 ZINC000011819271 556360894 /nfs/dbraw/zinc/36/08/94/556360894.db2.gz JTBZNAODSHWJSR-QGZVFWFLSA-N 0 1 430.508 3.620 50 0 IHAAMN CC[C@H](O)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 ZINC000011937125 556379090 /nfs/dbraw/zinc/37/90/90/556379090.db2.gz ANPWNWZIXYMHEQ-VWLOTQADSA-N 0 1 437.584 3.748 50 0 IHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012089955 556402001 /nfs/dbraw/zinc/40/20/01/556402001.db2.gz OZMHVWYHDNHRTQ-UHFFFAOYSA-N 0 1 425.525 3.854 50 0 IHAAMN CCOC(=O)C1C(CN(C)Cc2ccccc2C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013030238 556442291 /nfs/dbraw/zinc/44/22/91/556442291.db2.gz PXYMYCOFEJTVAC-OAQYLSRUSA-N 0 1 427.932 3.952 50 0 IHAAMN CCNC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000029226313 556470248 /nfs/dbraw/zinc/47/02/48/556470248.db2.gz WUANDBFJYFVWBA-UHFFFAOYSA-N 0 1 443.301 3.606 50 0 IHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3ccc(SC)cc3)C2)CC1 ZINC000015073128 556497326 /nfs/dbraw/zinc/49/73/26/556497326.db2.gz SUOCSXPLHYQSAP-OAQYLSRUSA-N 0 1 439.625 3.773 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)cc1 ZINC000015140290 556506209 /nfs/dbraw/zinc/50/62/09/556506209.db2.gz MEWISSBWDGQEOC-UHFFFAOYSA-N 0 1 437.565 3.787 50 0 IHAAMN COc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000032879993 556507930 /nfs/dbraw/zinc/50/79/30/556507930.db2.gz XDUVZRQRFVIEIX-UHFFFAOYSA-N 0 1 433.508 3.889 50 0 IHAAMN COC(=O)c1ccc([C@@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000013570512 556521914 /nfs/dbraw/zinc/52/19/14/556521914.db2.gz CRWZVXWRRCVYGB-HSZRJFAPSA-N 0 1 444.491 3.783 50 0 IHAAMN COC(=O)c1ccc([C@H]2c3c(C)[nH]nc3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000013570511 556521975 /nfs/dbraw/zinc/52/19/75/556521975.db2.gz CRWZVXWRRCVYGB-QHCPKHFHSA-N 0 1 444.491 3.783 50 0 IHAAMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000015879597 556560645 /nfs/dbraw/zinc/56/06/45/556560645.db2.gz AQDFFXPXIYYFSL-IBGZPJMESA-N 0 1 436.346 3.617 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1C ZINC000015976818 556570668 /nfs/dbraw/zinc/57/06/68/556570668.db2.gz BAFANRYZTBEHJY-UHFFFAOYSA-N 0 1 428.485 3.874 50 0 IHAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000016001813 556572773 /nfs/dbraw/zinc/57/27/73/556572773.db2.gz WFAMEJVXXNEJOG-YMGHSFPGSA-N 0 1 449.938 3.696 50 0 IHAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000016010421 556573943 /nfs/dbraw/zinc/57/39/43/556573943.db2.gz RKWRQWSKJNYACK-ORGXJRBJSA-N 0 1 444.318 3.574 50 0 IHAAMN Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[nH]2)c1 ZINC000016840126 556645488 /nfs/dbraw/zinc/64/54/88/556645488.db2.gz YAAMTTDSWKCTMN-UHFFFAOYSA-N 0 1 443.550 3.671 50 0 IHAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(C)cc2)cc1 ZINC000045966606 556688733 /nfs/dbraw/zinc/68/87/33/556688733.db2.gz KDATYKQUFBPTQU-UHFFFAOYSA-N 0 1 437.584 3.638 50 0 IHAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000137646515 556697839 /nfs/dbraw/zinc/69/78/39/556697839.db2.gz UELMKLYKBHWQJF-YTFSRNRJSA-N 0 1 430.460 3.760 50 0 IHAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 ZINC000058140741 556761112 /nfs/dbraw/zinc/76/11/12/556761112.db2.gz FSVINODPFWGZJC-UHFFFAOYSA-N 0 1 434.540 3.724 50 0 IHAAMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 ZINC000058357006 556782759 /nfs/dbraw/zinc/78/27/59/556782759.db2.gz GZGLZCSNNLQDKQ-QGZVFWFLSA-N 0 1 441.551 3.518 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000097940837 556811467 /nfs/dbraw/zinc/81/14/67/556811467.db2.gz DHQRRKZEXYCNGO-UHFFFAOYSA-N 0 1 428.514 3.632 50 0 IHAAMN O[C@H](COCc1ccco1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146650 556994009 /nfs/dbraw/zinc/99/40/09/556994009.db2.gz WDTGGJSRMKQODF-UNMCSNQZSA-N 0 1 438.499 3.992 50 0 IHAAMN Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086395 556997311 /nfs/dbraw/zinc/99/73/11/556997311.db2.gz UVNOXGJCTANMOV-DEOSSOPVSA-N 0 1 437.971 3.901 50 0 IHAAMN CCOC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213959 556999246 /nfs/dbraw/zinc/99/92/46/556999246.db2.gz VPQVCGNSMGMBKM-NRFANRHFSA-N 0 1 425.916 3.569 50 0 IHAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000098003831 557012526 /nfs/dbraw/zinc/01/25/26/557012526.db2.gz WLCUWKGBPUUKJY-YVMONPNESA-N 0 1 425.489 3.653 50 0 IHAAMN COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000017304279 557051737 /nfs/dbraw/zinc/05/17/37/557051737.db2.gz FIIIAPKCIHNKGA-UHFFFAOYSA-N 0 1 436.493 3.933 50 0 IHAAMN CN1CCN(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CC1 ZINC000023134161 557066737 /nfs/dbraw/zinc/06/67/37/557066737.db2.gz IREXZQRBLKTUDT-UHFFFAOYSA-N 0 1 432.362 3.999 50 0 IHAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017781389 557122159 /nfs/dbraw/zinc/12/21/59/557122159.db2.gz VZAFSPQRRKUHIT-ZRBLBEILSA-N 0 1 430.460 3.760 50 0 IHAAMN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018177049 557245933 /nfs/dbraw/zinc/24/59/33/557245933.db2.gz BXPASGIBSLOURW-ZLNRFVROSA-N 0 1 430.460 3.755 50 0 IHAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101112607 557256247 /nfs/dbraw/zinc/25/62/47/557256247.db2.gz UIBYGIRRCNPPCR-ZRBLBEILSA-N 0 1 430.460 3.842 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000027335735 557260368 /nfs/dbraw/zinc/26/03/68/557260368.db2.gz PAOHINXOAMFVOV-FQEVSTJZSA-N 0 1 425.916 3.710 50 0 IHAAMN Cc1ccnn1CCC(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000014971447 557266592 /nfs/dbraw/zinc/26/65/92/557266592.db2.gz UUKRETOUTBWGNO-HSZRJFAPSA-N 0 1 442.579 3.641 50 0 IHAAMN CN(C)[C@@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1N(C)C2=O)c1cccs1 ZINC000101643054 557292128 /nfs/dbraw/zinc/29/21/28/557292128.db2.gz CJWHWJASGPDMJK-RDPSFJRHSA-N 0 1 432.549 3.748 50 0 IHAAMN CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=NN2C)cc1 ZINC000101767475 557295907 /nfs/dbraw/zinc/29/59/07/557295907.db2.gz SHYSLHZGGTWPIT-IBGZPJMESA-N 0 1 438.915 3.789 50 0 IHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCCC2)cc1 ZINC000014183860 557314234 /nfs/dbraw/zinc/31/42/34/557314234.db2.gz YPTMPCVKZYUYOE-FQEVSTJZSA-N 0 1 425.554 3.696 50 0 IHAAMN Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3cccc(Br)c3)n2)cc1 ZINC000033248095 557326954 /nfs/dbraw/zinc/32/69/54/557326954.db2.gz AKEAXNWOWJEQRK-DAXSKMNVSA-N 0 1 431.315 3.793 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102690852 557364222 /nfs/dbraw/zinc/36/42/22/557364222.db2.gz FBYKKEJUYQCEDB-DNVJHFABSA-N 0 1 448.450 3.894 50 0 IHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000051316713 557464740 /nfs/dbraw/zinc/46/47/40/557464740.db2.gz YMMVLSIWAISVHZ-UHFFFAOYSA-N 0 1 429.864 3.632 50 0 IHAAMN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@H](C)O)C2CC2)c(C)c1 ZINC000105003921 557471149 /nfs/dbraw/zinc/47/11/49/557471149.db2.gz PEBKOSGAWPWCHE-RXVVDRJESA-N 0 1 428.598 3.715 50 0 IHAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl ZINC000036569696 557516607 /nfs/dbraw/zinc/51/66/07/557516607.db2.gz AAVUWMPENOWAJX-CRAIPNDOSA-N 0 1 439.343 3.961 50 0 IHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000106535187 557529769 /nfs/dbraw/zinc/52/97/69/557529769.db2.gz UOUDTJKJGXFWJA-GBWYYYKWSA-N 0 1 449.938 3.696 50 0 IHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(F)c3)c(Br)cc2C[C@H]1C ZINC000040450610 557734402 /nfs/dbraw/zinc/73/44/02/557734402.db2.gz RESGYOKMQICWOY-SNVBAGLBSA-N 0 1 427.295 3.687 50 0 IHAAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)Cc1ccccc1Cl ZINC000225546232 557739881 /nfs/dbraw/zinc/73/98/81/557739881.db2.gz DCMNEKBSMSROJL-LJQANCHMSA-N 0 1 447.988 3.883 50 0 IHAAMN C[C@@H](OC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)N(C)Cc1cccc(F)c1 ZINC000225840525 557783956 /nfs/dbraw/zinc/78/39/56/557783956.db2.gz GXFZLBUBHJJXFX-LLVKDONJSA-N 0 1 434.265 3.668 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COC(C)C)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000104983496 568623889 /nfs/dbraw/zinc/62/38/89/568623889.db2.gz ROOVOJIONBWZSN-PZJWPPBQSA-N 0 1 430.520 3.615 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 ZINC000000945116 568643375 /nfs/dbraw/zinc/64/33/75/568643375.db2.gz HDSWLOXMRRHOBF-UHFFFAOYSA-N 0 1 447.314 3.601 50 0 IHAAMN CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000045967603 568783784 /nfs/dbraw/zinc/78/37/84/568783784.db2.gz WOBDZWJXBVCCQO-UHFFFAOYSA-N 0 1 445.585 3.526 50 0 IHAAMN CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000006181236 568868098 /nfs/dbraw/zinc/86/80/98/568868098.db2.gz WEBFOPHJLJGZAX-ZDUSSCGKSA-N 0 1 447.944 3.535 50 0 IHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 ZINC000090607831 568890413 /nfs/dbraw/zinc/89/04/13/568890413.db2.gz JZDMKXREUGRSCE-UHFFFAOYSA-N 0 1 446.338 3.610 50 0 IHAAMN CCN(CC)C(=O)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000013013159 568901450 /nfs/dbraw/zinc/90/14/50/568901450.db2.gz AWQQXKNVWGIWOF-UHFFFAOYSA-N 0 1 441.576 3.878 50 0 IHAAMN CC(=O)[C@@H]1C(=C(O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245309434 568914249 /nfs/dbraw/zinc/91/42/49/568914249.db2.gz CTLOGBVHJCVBFC-NXNJFABFSA-N 0 1 449.510 3.952 50 0 IHAAMN O[C@@H](COCc1ccccc1)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147384 568962535 /nfs/dbraw/zinc/96/25/35/568962535.db2.gz CACSYLKMKUVIIP-JOCHJYFZSA-N 0 1 433.508 3.952 50 0 IHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](C)O ZINC000036306023 568995445 /nfs/dbraw/zinc/99/54/45/568995445.db2.gz NWYDEUCEFLAJGX-GOSISDBHSA-N 0 1 425.529 3.717 50 0 IHAAMN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000036340368 569078815 /nfs/dbraw/zinc/07/88/15/569078815.db2.gz YVVPAWNERUNHQA-HSZRJFAPSA-N 0 1 434.559 3.549 50 0 IHAAMN Cc1nc(C)c(Cc2cccc(F)c2)c(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340171 569078818 /nfs/dbraw/zinc/07/88/18/569078818.db2.gz HGWYWHHXQADGRP-DEOSSOPVSA-N 0 1 434.559 3.549 50 0 IHAAMN CCc1nc(C)nc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1Cc1cccc(C)c1 ZINC000036340673 569078926 /nfs/dbraw/zinc/07/89/26/569078926.db2.gz DIURFOHAYJEJSD-VWLOTQADSA-N 0 1 444.623 3.972 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341173 569079097 /nfs/dbraw/zinc/07/90/97/569079097.db2.gz VJIZMASMJIPKMT-HSZRJFAPSA-N 0 1 440.975 3.664 50 0 IHAAMN CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000036359855 569086545 /nfs/dbraw/zinc/08/65/45/569086545.db2.gz KOQPIBHUQDXZDN-NRFANRHFSA-N 0 1 440.569 3.767 50 0 IHAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115815 569106897 /nfs/dbraw/zinc/10/68/97/569106897.db2.gz MXSLSVSLMQRGGL-UHFFFAOYSA-N 0 1 445.497 3.735 50 0 IHAAMN Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000065116568 569107265 /nfs/dbraw/zinc/10/72/65/569107265.db2.gz AQFBDGWIVPDUDV-UHFFFAOYSA-N 0 1 446.554 3.760 50 0 IHAAMN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N1CCN(CC(C)C)CC1 ZINC000065230412 569118248 /nfs/dbraw/zinc/11/82/48/569118248.db2.gz IOXKCXHGAPUZRN-UHFFFAOYSA-N 0 1 425.504 3.504 50 0 IHAAMN COc1cc(OC)c(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1Cl ZINC000036708133 569134920 /nfs/dbraw/zinc/13/49/20/569134920.db2.gz LMLOQQKDNNALIT-UHFFFAOYSA-N 0 1 448.955 3.680 50 0 IHAAMN CN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000170617401 569147331 /nfs/dbraw/zinc/14/73/31/569147331.db2.gz NZQXAKUZHVFKSD-UHFFFAOYSA-N 0 1 427.339 3.878 50 0 IHAAMN NC(=O)[C@@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000170617475 569147365 /nfs/dbraw/zinc/14/73/65/569147365.db2.gz LFGKRVMFVOEIEX-KRWDZBQOSA-N 0 1 449.985 3.805 50 0 IHAAMN CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 ZINC000014072509 569157689 /nfs/dbraw/zinc/15/76/89/569157689.db2.gz QNRSVASYNLYNAX-LJQANCHMSA-N 0 1 438.469 3.875 50 0 IHAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000252518097 569189297 /nfs/dbraw/zinc/18/92/97/569189297.db2.gz ZRFGYEOLMPCITA-LIXBPZJASA-N 0 1 439.343 3.961 50 0 IHAAMN COc1ccccc1CN1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000170649068 569189457 /nfs/dbraw/zinc/18/94/57/569189457.db2.gz AOCYJMYZEMZXTK-UHFFFAOYSA-N 0 1 433.346 3.617 50 0 IHAAMN O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cccnc2)c1 ZINC000027531076 569265702 /nfs/dbraw/zinc/26/57/02/569265702.db2.gz DWXRAMISAGABIW-UHFFFAOYSA-N 0 1 432.299 3.897 50 0 IHAAMN COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc2c1OCO2 ZINC000253471761 569282572 /nfs/dbraw/zinc/28/25/72/569282572.db2.gz ZCHPPASPAROHJN-MRXNPFEDSA-N 0 1 441.411 3.691 50 0 IHAAMN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OC ZINC000002407950 569300374 /nfs/dbraw/zinc/30/03/74/569300374.db2.gz VDCOLNYJQPPPGN-QFIPXVFZSA-N 0 1 436.508 3.697 50 0 IHAAMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013113109 569310680 /nfs/dbraw/zinc/31/06/80/569310680.db2.gz MRBNTRMQHFRSKC-ZWKOTPCHSA-N 0 1 437.565 3.529 50 0 IHAAMN CCOc1ncccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000078878779 569319993 /nfs/dbraw/zinc/31/99/93/569319993.db2.gz ULYRNVYTFKZUQX-UHFFFAOYSA-N 0 1 438.488 3.542 50 0 IHAAMN CCOc1ncccc1C(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000078878779 569319995 /nfs/dbraw/zinc/31/99/95/569319995.db2.gz ULYRNVYTFKZUQX-UHFFFAOYSA-N 0 1 438.488 3.542 50 0 IHAAMN COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CC(C)C)cc3)cc2)nc1 ZINC000095440788 569366531 /nfs/dbraw/zinc/36/65/31/569366531.db2.gz YUNBJLDGLAQOMZ-UHFFFAOYSA-N 0 1 440.525 3.737 50 0 IHAAMN O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000095475456 569372721 /nfs/dbraw/zinc/37/27/21/569372721.db2.gz ISTQUCYMGIHCBY-UHFFFAOYSA-N 0 1 429.303 3.793 50 0 IHAAMN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCC(=O)Nc1ccccc1C(N)=O ZINC000095995955 569378819 /nfs/dbraw/zinc/37/88/19/569378819.db2.gz BFLSPJCRCZULNB-ZMZPIMSZSA-N 0 1 434.359 3.559 50 0 IHAAMN COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 ZINC000096103699 569382153 /nfs/dbraw/zinc/38/21/53/569382153.db2.gz LQRQUQVEMAVWTA-UHFFFAOYSA-N 0 1 430.404 3.511 50 0 IHAAMN CC(C)CN1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398423 569399696 /nfs/dbraw/zinc/39/96/96/569399696.db2.gz GZKZGOMTQREIPV-LJQANCHMSA-N 0 1 431.646 3.669 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000097161528 569403267 /nfs/dbraw/zinc/40/32/67/569403267.db2.gz QNATWBAOANHENL-UHFFFAOYSA-N 0 1 428.514 3.632 50 0 IHAAMN CCc1ccc([C@@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 ZINC000057415189 569434084 /nfs/dbraw/zinc/43/40/84/569434084.db2.gz TZFSFXREHJYMQG-DEOSSOPVSA-N 0 1 431.536 3.819 50 0 IHAAMN COc1ccc2c(c1)N1CCN(Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCc1ccco1)C2 ZINC000230128958 569438886 /nfs/dbraw/zinc/43/88/86/569438886.db2.gz FJCDEONHGRMNGD-NOZRDPDXSA-N 0 1 449.526 3.607 50 0 IHAAMN C[C@@H](NC(=O)c1cc(Br)ccc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000058159518 569449085 /nfs/dbraw/zinc/44/90/85/569449085.db2.gz ZNILFNPMZNAQBO-CYBMUJFWSA-N 0 1 438.316 3.970 50 0 IHAAMN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000031557212 569456760 /nfs/dbraw/zinc/45/67/60/569456760.db2.gz IELVBGVRIZAFBM-FQEVSTJZSA-N 0 1 443.544 3.844 50 0 IHAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694599 569470170 /nfs/dbraw/zinc/47/01/70/569470170.db2.gz 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/nfs/dbraw/zinc/71/60/85/525716085.db2.gz ZUXKHAHIPFOFNE-UHFFFAOYSA-N 0 1 430.493 3.787 50 0 IHAAMN COc1cccc(-c2cn3c(C(=O)NCc4n[nH]c(-c5ccccc5)n4)csc3n2)c1 ZINC000012446936 525716093 /nfs/dbraw/zinc/71/60/93/525716093.db2.gz ZUXKHAHIPFOFNE-UHFFFAOYSA-N 0 1 430.493 3.787 50 0 IHAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)c1OC ZINC000012207516 525942393 /nfs/dbraw/zinc/94/23/93/525942393.db2.gz CCYBUJWXFCSQPY-SANMLTNESA-N 0 1 437.584 3.898 50 0 IHAAMN Cc1cc(Br)c(O)c(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 ZINC000065476579 526153566 /nfs/dbraw/zinc/15/35/66/526153566.db2.gz HGFXSRATRWRFSU-UHFFFAOYSA-N 0 1 427.298 3.603 50 0 IHAAMN COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C)cc2)c1 ZINC000035372941 526178723 /nfs/dbraw/zinc/17/87/23/526178723.db2.gz LENJFWIAOQJDBT-UHFFFAOYSA-N 0 1 436.581 3.999 50 0 IHAAMN Cc1nnsc1C(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012440606 526440116 /nfs/dbraw/zinc/44/01/16/526440116.db2.gz NDYXMCDDPQDPEQ-LJQANCHMSA-N 0 1 432.565 3.519 50 0 IHAAMN 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Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)s1 ZINC000024070313 557135155 /nfs/dbraw/zinc/13/51/55/557135155.db2.gz QIFZXLWURDVNLN-UHFFFAOYSA-N 0 1 428.601 3.649 50 0 IHAAMN O=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000011403225 557142000 /nfs/dbraw/zinc/14/20/00/557142000.db2.gz IFMSIEMZVDKLBF-UHFFFAOYSA-N 0 1 434.876 3.916 50 0 IHAAMN CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)C3=C2O)cc1 ZINC000100872747 557195662 /nfs/dbraw/zinc/19/56/62/557195662.db2.gz JMUHLGHJSMADLW-MJGOQNOKSA-N 0 1 443.297 3.921 50 0 IHAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000100977244 557210018 /nfs/dbraw/zinc/21/00/18/557210018.db2.gz QVKLBFGOEMTFQC-ZLNRFVROSA-N 0 1 430.460 3.760 50 0 IHAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101025969 557214511 /nfs/dbraw/zinc/21/45/11/557214511.db2.gz UELMKLYKBHWQJF-ZLNRFVROSA-N 0 1 430.460 3.760 50 0 IHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018033897 557230383 /nfs/dbraw/zinc/23/03/83/557230383.db2.gz JHOANXJVAKMHAI-ZRBLBEILSA-N 0 1 430.460 3.755 50 0 IHAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018066568 557234617 /nfs/dbraw/zinc/23/46/17/557234617.db2.gz NWCVKNREMOYHHI-ZRBLBEILSA-N 0 1 430.460 3.755 50 0 IHAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018066568 557234619 /nfs/dbraw/zinc/23/46/19/557234619.db2.gz NWCVKNREMOYHHI-ZRBLBEILSA-N 0 1 430.460 3.755 50 0 IHAAMN CCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000072270845 557262485 /nfs/dbraw/zinc/26/24/85/557262485.db2.gz WNRLLJXUQMVGKR-UHFFFAOYSA-N 0 1 438.391 3.564 50 0 IHAAMN COc1ccccc1[C@@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)N1CCCC1 ZINC000070010988 557266025 /nfs/dbraw/zinc/26/60/25/557266025.db2.gz WHRGSGGJWIGBGC-HSZRJFAPSA-N 0 1 444.535 3.909 50 0 IHAAMN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000027593052 557267215 /nfs/dbraw/zinc/26/72/15/557267215.db2.gz SPJARLJIXSHKLC-IBGZPJMESA-N 0 1 427.549 3.864 50 0 IHAAMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000027593052 557267219 /nfs/dbraw/zinc/26/72/19/557267219.db2.gz SPJARLJIXSHKLC-IBGZPJMESA-N 0 1 427.549 3.864 50 0 IHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101408575 557284134 /nfs/dbraw/zinc/28/41/34/557284134.db2.gz YPCHADOSNDGCAG-IQXSCUCBSA-N 0 1 437.499 3.579 50 0 IHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101408575 557284137 /nfs/dbraw/zinc/28/41/37/557284137.db2.gz YPCHADOSNDGCAG-IQXSCUCBSA-N 0 1 437.499 3.579 50 0 IHAAMN COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5ccc(C)cc5[nH]4)CC3)c2c1 ZINC000033070782 557323704 /nfs/dbraw/zinc/32/37/04/557323704.db2.gz CNHVMDYYYGEBOR-UHFFFAOYSA-N 0 1 431.540 3.937 50 0 IHAAMN O=C1NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1 ZINC000033429085 557396753 /nfs/dbraw/zinc/39/67/53/557396753.db2.gz ZPPJXXSXZFDYCE-UWJYYQICSA-N 0 1 445.397 3.576 50 0 IHAAMN COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c([O-])nc2ccccn2c1=O ZINC000205977034 557401448 /nfs/dbraw/zinc/40/14/48/557401448.db2.gz KLZPYQQZRLGSLE-NRFANRHFSA-N 0 1 444.487 3.717 50 0 IHAAMN COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c(O)nc2ccccn2c1=O ZINC000205977034 557401452 /nfs/dbraw/zinc/40/14/52/557401452.db2.gz KLZPYQQZRLGSLE-NRFANRHFSA-N 0 1 444.487 3.717 50 0 IHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000051316430 557464331 /nfs/dbraw/zinc/46/43/31/557464331.db2.gz TVELASYBHNLTPH-UHFFFAOYSA-N 0 1 449.536 3.801 50 0 IHAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1F ZINC000051316815 557465871 /nfs/dbraw/zinc/46/58/71/557465871.db2.gz UNUYRYUCRXWFKG-UHFFFAOYSA-N 0 1 445.426 3.565 50 0 IHAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000036576399 557516486 /nfs/dbraw/zinc/51/64/86/557516486.db2.gz JLTFFELJKDPHEW-LSKLOWJMSA-N 0 1 439.343 3.961 50 0 IHAAMN CC(C)S(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000225398414 557718555 /nfs/dbraw/zinc/71/85/55/557718555.db2.gz XPIPSAGDMVLQOM-GFCCVEGCSA-N 0 1 429.947 3.646 50 0 IHAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3cccc(F)c3)cc21 ZINC000040450425 557733991 /nfs/dbraw/zinc/73/39/91/557733991.db2.gz UDPDBQVDQUBQON-UHFFFAOYSA-N 0 1 439.306 3.688 50 0 IHAAMN CCn1c2ccccc2n(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1=O ZINC000025037114 557847702 /nfs/dbraw/zinc/84/77/02/557847702.db2.gz ZTXBLPIVOOVSMI-XMMPIXPASA-N 0 1 425.492 3.605 50 0 IHAAMN COC(=O)c1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606662 562957109 /nfs/dbraw/zinc/95/71/09/562957109.db2.gz MJEASRWGDWRNOW-QHCPKHFHSA-N 0 1 440.459 3.709 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c(OC)c1 ZINC000008610061 562958089 /nfs/dbraw/zinc/95/80/89/562958089.db2.gz IBRQKWMQNVYDPO-UHFFFAOYSA-N 0 1 440.525 3.562 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1 ZINC000008685529 562962574 /nfs/dbraw/zinc/96/25/74/562962574.db2.gz WSZIQTVENBULME-UHFFFAOYSA-N 0 1 430.457 3.896 50 0 IHAAMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009575 563134894 /nfs/dbraw/zinc/13/48/94/563134894.db2.gz JFYSITYEIVQUDT-UHFFFAOYSA-N 0 1 441.484 3.918 50 0 IHAAMN COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000018946975 568629004 /nfs/dbraw/zinc/62/90/04/568629004.db2.gz HJSFPXCQELJMTI-UHFFFAOYSA-N 0 1 438.519 3.952 50 0 IHAAMN CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 ZINC000043954061 568744313 /nfs/dbraw/zinc/74/43/13/568744313.db2.gz PHPNXLIKOKAOOM-UHFFFAOYSA-N 0 1 435.615 3.533 50 0 IHAAMN CCOC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000001426390 568793967 /nfs/dbraw/zinc/79/39/67/568793967.db2.gz CAHNXZQIVHCZDE-IBGZPJMESA-N 0 1 438.509 3.535 50 0 IHAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000015680761 568806533 /nfs/dbraw/zinc/80/65/33/568806533.db2.gz BUPOSKWOMAENDO-UHFFFAOYSA-N 0 1 429.307 3.982 50 0 IHAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]c2c1 ZINC000006173434 568850850 /nfs/dbraw/zinc/85/08/50/568850850.db2.gz QFUYQCLINKITEN-UHFFFAOYSA-N 0 1 444.582 3.777 50 0 IHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829496 568928041 /nfs/dbraw/zinc/92/80/41/568928041.db2.gz NQQGTJJBQDGLEE-ZDLGFXPLSA-N 0 1 426.835 3.772 50 0 IHAAMN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000064580436 568934240 /nfs/dbraw/zinc/93/42/40/568934240.db2.gz CXZPFYQJYBPTJX-UHFFFAOYSA-N 0 1 439.537 3.742 50 0 IHAAMN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000064580435 568934310 /nfs/dbraw/zinc/93/43/10/568934310.db2.gz UJRPKGAKCUXVOG-UHFFFAOYSA-N 0 1 445.928 3.779 50 0 IHAAMN CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccccc1OC ZINC000064580476 568934398 /nfs/dbraw/zinc/93/43/98/568934398.db2.gz SRYTZAUDCDSZFE-UHFFFAOYSA-N 0 1 439.537 3.688 50 0 IHAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000016690070 568938535 /nfs/dbraw/zinc/93/85/35/568938535.db2.gz LBZWKNDPUBTGPH-PBHICJAKSA-N 0 1 432.521 3.562 50 0 IHAAMN COc1cccc(CN2CC=C(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2)c1 ZINC000064817997 568965129 /nfs/dbraw/zinc/96/51/29/568965129.db2.gz CAFWGBRLRDUSDA-UHFFFAOYSA-N 0 1 425.960 3.830 50 0 IHAAMN CCOC(=O)C1C(CN2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155605 568966326 /nfs/dbraw/zinc/96/63/26/568966326.db2.gz ZBQSSJLIMGTJJC-RDPSFJRHSA-N 0 1 449.551 3.746 50 0 IHAAMN CCn1c2c(C(=O)NC3CCCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835898 568968894 /nfs/dbraw/zinc/96/88/94/568968894.db2.gz AGWOSKIFRMPOJR-UHFFFAOYSA-N 0 1 447.583 3.527 50 0 IHAAMN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000064947165 568995192 /nfs/dbraw/zinc/99/51/92/568995192.db2.gz RTFDWKLZJSEEBX-UHFFFAOYSA-N 0 1 442.560 3.571 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341038 569079180 /nfs/dbraw/zinc/07/91/80/569079180.db2.gz BDEWEAMUYHMWMV-QHCPKHFHSA-N 0 1 440.975 3.664 50 0 IHAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2c(C)noc2NC(C)=O)ccc1OC ZINC000065115947 569107002 /nfs/dbraw/zinc/10/70/02/569107002.db2.gz NNABBCGARJZGTH-UHFFFAOYSA-N 0 1 429.498 3.980 50 0 IHAAMN CCc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)cc1 ZINC000065115949 569107044 /nfs/dbraw/zinc/10/70/44/569107044.db2.gz MAFYGMKNTZPCSN-UHFFFAOYSA-N 0 1 429.498 3.980 50 0 IHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137535 569110549 /nfs/dbraw/zinc/11/05/49/569110549.db2.gz ZUKUMWGAAVXMCV-UHFFFAOYSA-N 0 1 444.582 3.884 50 0 IHAAMN Cc1ccc(CN2CCN(C(=O)c3cccc4[nH]cc(CN5CCSCC5)c43)CC2)cc1 ZINC000065135854 569110876 /nfs/dbraw/zinc/11/08/76/569110876.db2.gz ODCZUSFQZRGIQY-UHFFFAOYSA-N 0 1 448.636 3.983 50 0 IHAAMN Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265703 569127154 /nfs/dbraw/zinc/12/71/54/569127154.db2.gz BALKMMQOMOYTQA-RUZDIDTESA-N 0 1 444.539 3.536 50 0 biogenic IHAAMN COC(=O)c1cccc(CNC(=O)c2ccc(-n3[nH]c(Cc4ccccc4)cc3=O)cc2)c1 ZINC000170617957 569146876 /nfs/dbraw/zinc/14/68/76/569146876.db2.gz KFYOUIABHQZJBQ-UHFFFAOYSA-N 0 1 441.487 3.739 50 0 IHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000014671270 569161657 /nfs/dbraw/zinc/16/16/57/569161657.db2.gz AIWJQVAMNWXKAR-UHFFFAOYSA-N 0 1 443.910 3.852 50 0 IHAAMN CCN(CC)[C@@H](CNC(=O)COC(=O)CCCc1nc2ccccc2s1)c1ccco1 ZINC000089967796 569169194 /nfs/dbraw/zinc/16/91/94/569169194.db2.gz RGOJDUHXORYMMX-SFHVURJKSA-N 0 1 443.569 3.955 50 0 IHAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1 ZINC000017179155 569175647 /nfs/dbraw/zinc/17/56/47/569175647.db2.gz HMEMOLTYVQJTAF-UHFFFAOYSA-N 0 1 440.575 3.913 50 0 IHAAMN CC[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)[C@H](CC)CN1Cc1ccccc1 ZINC000078869834 569319607 /nfs/dbraw/zinc/31/96/07/569319607.db2.gz KVLQSJKAYDQHFE-DNQXCXABSA-N 0 1 440.632 3.816 50 0 IHAAMN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3nc(-c4ccc(Cl)cn4)[nH]c3c1)CS2 ZINC000079074250 569324680 /nfs/dbraw/zinc/32/46/80/569324680.db2.gz ABTYPZBWCWVRPU-UZLBHIALSA-N 0 1 427.917 3.671 50 0 IHAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N(C)CCc4ccccn4)ccc3n2)CC1 ZINC000020153565 569353605 /nfs/dbraw/zinc/35/36/05/569353605.db2.gz RLWORQCECPMHFI-UHFFFAOYSA-N 0 1 448.640 3.951 50 0 IHAAMN CCOC(CNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1)OCC ZINC000020240917 569357718 /nfs/dbraw/zinc/35/77/18/569357718.db2.gz CJLMRLFZQZRZQE-NRFANRHFSA-N 0 1 443.588 3.940 50 0 IHAAMN CCOC(=O)c1cc(C)cc(Br)c1NS(=O)(=O)c1cn([C@@H](C)CC)cn1 ZINC000095965991 569377358 /nfs/dbraw/zinc/37/73/58/569377358.db2.gz OMBNFLHEIOSMTN-LBPRGKRZSA-N 0 1 444.351 3.903 50 0 IHAAMN CC(C)CN1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000096386365 569398571 /nfs/dbraw/zinc/39/85/71/569398571.db2.gz XYHSXUUBXHVYEE-UHFFFAOYSA-N 0 1 448.036 3.537 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc2c(c1)OCO2 ZINC000002625942 569411816 /nfs/dbraw/zinc/41/18/16/569411816.db2.gz AYBGTKYOHDUOGD-UHFFFAOYSA-N 0 1 433.287 3.694 50 0 IHAAMN CCc1ccc([C@@H]2NC(=O)N=C(CN3CCC(Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415158 569434069 /nfs/dbraw/zinc/43/40/69/569434069.db2.gz PQRSQJSSGCSWLR-VWLOTQADSA-N 0 1 447.579 3.985 50 0 IHAAMN CCOc1ccc([C@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 ZINC000057415350 569434110 /nfs/dbraw/zinc/43/41/10/569434110.db2.gz PQIPTWRBXSSOBF-XMMPIXPASA-N 0 1 447.535 3.656 50 0 IHAAMN CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000031557211 569456706 /nfs/dbraw/zinc/45/67/06/569456706.db2.gz IELVBGVRIZAFBM-HXUWFJFHSA-N 0 1 443.544 3.844 50 0 IHAAMN O=[N+]([O-])c1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1Cl ZINC000008454006 569465168 /nfs/dbraw/zinc/46/51/68/569465168.db2.gz SYVWUJOUGAJLFI-UHFFFAOYSA-N 0 1 444.927 3.860 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(OC)c1 ZINC000008840948 569478434 /nfs/dbraw/zinc/47/84/34/569478434.db2.gz SFEJTIBKBDCFQT-UHFFFAOYSA-N 0 1 432.542 3.830 50 0 IHAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918614 569486361 /nfs/dbraw/zinc/48/63/61/569486361.db2.gz WXVQQCGVNGJNII-KALPRAJFSA-N 0 1 449.510 3.952 50 0 biogenic IHAAMN CCOC(=O)C1C(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245257657 569501617 /nfs/dbraw/zinc/50/16/17/569501617.db2.gz BWYPKTLLUSNBCF-XXBNENTESA-N 0 1 437.515 3.795 50 0 IHAAMN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352405 569502182 /nfs/dbraw/zinc/50/21/82/569502182.db2.gz HPLOVMKAUMESAU-CJNGLKHVSA-N 0 1 425.476 3.539 50 0 IHAAMN Cc1cccc(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)C[C@H]2C)c1 ZINC000245312996 569503026 /nfs/dbraw/zinc/50/30/26/569503026.db2.gz YVBYTYWPSWCLGU-AGILITTLSA-N 0 1 427.614 3.795 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009337488 569523607 /nfs/dbraw/zinc/52/36/07/569523607.db2.gz SMRQPNWKJDKOIK-HXUWFJFHSA-N 0 1 429.948 3.739 50 0 IHAAMN 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CCN1CCN([C@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098148 521695708 /nfs/dbraw/zinc/69/57/08/521695708.db2.gz CJMNGRMMYSGPRU-HSZRJFAPSA-N 0 1 441.959 3.884 50 0 IHAAMN CCc1nn2c(nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2=O)s1 ZINC000020962101 522707104 /nfs/dbraw/zinc/70/71/04/522707104.db2.gz OAVYYVIGYNIKKK-UHFFFAOYSA-N 0 1 445.592 3.621 50 0 IHAAMN CCc1sc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C ZINC000012933187 523070033 /nfs/dbraw/zinc/07/00/33/523070033.db2.gz UATQOSFBJVFWDT-UHFFFAOYSA-N 0 1 434.005 3.783 50 0 IHAAMN COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000021200816 523176835 /nfs/dbraw/zinc/17/68/35/523176835.db2.gz AJTYGMYHYIBEGP-UHFFFAOYSA-N 0 1 431.606 3.777 50 0 IHAAMN CN1CCCC[C@H]1C(=O)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000012247406 523795785 /nfs/dbraw/zinc/79/57/85/523795785.db2.gz KFGIZQGJFRIANI-QHCPKHFHSA-N 0 1 431.584 3.864 50 0 IHAAMN CN(C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C1CC1)C1CC1 ZINC000012227272 523844840 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ZINC000034684105 555819474 /nfs/dbraw/zinc/81/94/74/555819474.db2.gz XVLLXZOSNHRFSF-UHFFFAOYSA-N 0 1 443.591 3.986 50 0 IHAAMN O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000002855067 555841106 /nfs/dbraw/zinc/84/11/06/555841106.db2.gz NMWCJPZSPXGTPC-UHFFFAOYSA-N 0 1 437.909 3.879 50 0 IHAAMN CCc1n[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034794956 555917477 /nfs/dbraw/zinc/91/74/77/555917477.db2.gz PJNYBJCZOPZPEO-UHFFFAOYSA-N 0 1 425.485 3.855 50 0 IHAAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCCOc1ccccc1 ZINC000004083936 555959620 /nfs/dbraw/zinc/95/96/20/555959620.db2.gz ZSRBNFBSUHAJRC-GOSISDBHSA-N 0 1 431.286 3.699 50 0 IHAAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCc1ccc2c(c1)OCO2 ZINC000004113598 555963837 /nfs/dbraw/zinc/96/38/37/555963837.db2.gz LJEIVVWWCMRFPD-GOSISDBHSA-N 0 1 445.269 3.549 50 0 IHAAMN COc1ccc(Cc2n[nH]c(SCC(=O)Nc3cccc(Br)c3)n2)cc1 ZINC000009302492 556275974 /nfs/dbraw/zinc/27/59/74/556275974.db2.gz DZPDPIDFDMKEAR-UHFFFAOYSA-N 0 1 433.331 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556420654 /nfs/dbraw/zinc/42/06/54/556420654.db2.gz MRCJKDHDVRUJBU-UHFFFAOYSA-N 0 1 442.510 3.815 50 0 IHAAMN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000014752155 556443696 /nfs/dbraw/zinc/44/36/96/556443696.db2.gz XVDGYIRZVRZQKE-UHFFFAOYSA-N 0 1 429.923 3.950 50 0 IHAAMN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@H]1CCCO1 ZINC000014879162 556452372 /nfs/dbraw/zinc/45/23/72/556452372.db2.gz MZBDLDWGPWRXOH-RTBURBONSA-N 0 1 426.479 3.514 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000013096782 556457685 /nfs/dbraw/zinc/45/76/85/556457685.db2.gz FKLWGJHZWRAXCY-HSZRJFAPSA-N 0 1 437.565 3.829 50 0 IHAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)ccc1O ZINC000013117565 556470161 /nfs/dbraw/zinc/47/01/61/556470161.db2.gz KIEDYYVUOUDFOW-UHFFFAOYSA-N 0 1 428.539 3.904 50 0 IHAAMN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015075260 556498865 /nfs/dbraw/zinc/49/88/65/556498865.db2.gz 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569539909 /nfs/dbraw/zinc/53/99/09/569539909.db2.gz WWQWVKOUGDHTET-UHFFFAOYSA-N 0 1 433.541 3.651 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)n1 ZINC000009672339 569558783 /nfs/dbraw/zinc/55/87/83/569558783.db2.gz FARWLDDGXMLMQL-UHFFFAOYSA-N 0 1 428.489 3.605 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1C ZINC000009698219 569561197 /nfs/dbraw/zinc/56/11/97/569561197.db2.gz OFIVKQRZCZFVBG-UHFFFAOYSA-N 0 1 442.512 3.916 50 0 IHAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009778759 569567306 /nfs/dbraw/zinc/56/73/06/569567306.db2.gz HUAVBOZNVFIFNK-VXKWHMMOSA-N 0 1 430.435 3.977 50 0 IHAAMN CC(C)(C)NC(=O)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000009781364 569567541 /nfs/dbraw/zinc/56/75/41/569567541.db2.gz HCAWUHAZYMDOAV-UHFFFAOYSA-N 0 1 441.576 3.924 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000009828648 569569827 /nfs/dbraw/zinc/56/98/27/569569827.db2.gz WQCOLFDABCZRSE-UHFFFAOYSA-N 0 1 437.930 3.787 50 0 IHAAMN Cc1cc2oc(=O)cc(COC(=O)c3ccccc3NS(C)(=O)=O)c2cc1C(C)C ZINC000010265614 569580026 /nfs/dbraw/zinc/58/00/26/569580026.db2.gz IUZYWTGWQAUYCH-UHFFFAOYSA-N 0 1 429.494 3.953 50 0 IHAAMN CN(C)[C@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 ZINC000077171693 569585835 /nfs/dbraw/zinc/58/58/35/569585835.db2.gz MCLQNSDDRNQTAT-LJQANCHMSA-N 0 1 425.476 3.778 50 0 IHAAMN CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C ZINC000034835670 569587645 /nfs/dbraw/zinc/58/76/45/569587645.db2.gz HPCCERZMZXAGAL-UHFFFAOYSA-N 0 1 429.584 3.997 50 0 IHAAMN COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2ccccc2F)CC1 ZINC000002282886 132251240 /nfs/dbraw/zinc/25/12/40/132251240.db2.gz MPFDARWAIXWWFJ-UHFFFAOYSA-N 0 1 438.503 3.553 50 0 IHAAMN CCOc1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc(OCC)c1OCC ZINC000002871265 132257815 /nfs/dbraw/zinc/25/78/15/132257815.db2.gz JKCYTUYSNBOOIE-UHFFFAOYSA-N 0 1 427.545 3.887 50 0 IHAAMN Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000009187624 132307708 /nfs/dbraw/zinc/30/77/08/132307708.db2.gz BGCIGULQOVVAOS-UHFFFAOYSA-N 0 1 440.551 3.585 50 0 IHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(Br)c2)CC1 ZINC000009469343 132318651 /nfs/dbraw/zinc/31/86/51/132318651.db2.gz ILYSSYHXHRBPHV-UHFFFAOYSA-N 0 1 438.753 3.872 50 0 IHAAMN CN1CCN(c2ccccc2NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000009789700 132329181 /nfs/dbraw/zinc/32/91/81/132329181.db2.gz UPEYAJRPWPDDFB-UHFFFAOYSA-N 0 1 429.520 3.687 50 0 IHAAMN CCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000021535376 519860976 /nfs/dbraw/zinc/86/09/76/519860976.db2.gz VTYQNDFTGLZWSS-UHFFFAOYSA-N 0 1 430.965 3.767 50 0 IHAAMN CCCOc1ccc(OCC(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000095365188 520404613 /nfs/dbraw/zinc/40/46/13/520404613.db2.gz JLWIFZOSPPEMTP-UHFFFAOYSA-N 0 1 430.520 3.783 50 0 IHAAMN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc(CC(C)C)[nH]n2)C1 ZINC000012446757 521179810 /nfs/dbraw/zinc/17/98/10/521179810.db2.gz UPDMGHITSCSPIL-XMMPIXPASA-N 0 1 427.545 3.645 50 0 IHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000022853415 521301207 /nfs/dbraw/zinc/30/12/07/521301207.db2.gz WRSLWJOBTJUQPZ-HKUYNNGSSA-N 0 1 442.585 3.986 50 0 IHAAMN CCOCCC[N@@H+](C)C1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035450879 521704074 /nfs/dbraw/zinc/70/40/74/521704074.db2.gz CJNIKTZDDQTTQP-UHFFFAOYSA-N 0 1 439.556 3.964 50 0 IHAAMN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cccs1 ZINC000022759680 522082565 /nfs/dbraw/zinc/08/25/65/522082565.db2.gz BMQNGCWVSABPHS-HXUWFJFHSA-N 0 1 443.594 3.606 50 0 IHAAMN CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc([O-])c(Cl)c1)CC2 ZINC000014531549 523716870 /nfs/dbraw/zinc/71/68/70/523716870.db2.gz IXAMXFLQBHHDTH-UHFFFAOYSA-N 0 1 427.932 3.517 50 0 IHAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl ZINC000020714510 523893355 /nfs/dbraw/zinc/89/33/55/523893355.db2.gz AAVUWMPENOWAJX-YJBOKZPZSA-N 0 1 439.343 3.961 50 0 IHAAMN 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526295987 /nfs/dbraw/zinc/29/59/87/526295987.db2.gz CTFPIFIOLNGROH-IBGZPJMESA-N 0 1 426.586 3.541 50 0 IHAAMN Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cnc(N3CCOCC3)s2)c1 ZINC000012592614 526307907 /nfs/dbraw/zinc/30/79/07/526307907.db2.gz MKSIRQJYWLSEEK-LJQANCHMSA-N 0 1 431.512 3.611 50 0 IHAAMN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000035431384 526593825 /nfs/dbraw/zinc/59/38/25/526593825.db2.gz JZENNQJISDQWTO-QFIPXVFZSA-N 0 1 441.535 3.640 50 0 IHAAMN Cc1sc2nc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(=O)n2c1C ZINC000020921706 526889208 /nfs/dbraw/zinc/88/92/08/526889208.db2.gz NHXAGUDERJLMJU-UHFFFAOYSA-N 0 1 442.360 3.553 50 0 IHAAMN NC1(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@@H]2Cc2ccccc2)CC1 ZINC000091595745 527124786 /nfs/dbraw/zinc/12/47/86/527124786.db2.gz MQULDFTZTCOLME-DEOSSOPVSA-N 0 1 425.532 3.631 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc(Br)c1 ZINC000000958043 555590667 /nfs/dbraw/zinc/59/06/67/555590667.db2.gz ADYNFHYJFJTTRJ-UHFFFAOYSA-N 0 1 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50 0 IHAAMN Cc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cn1 ZINC000065265684 569127080 /nfs/dbraw/zinc/12/70/80/569127080.db2.gz JDTQADFPPWWRMN-VWLOTQADSA-N 0 1 426.524 3.705 50 0 biogenic IHAAMN Cc1occc1C(=O)Nc1nc(CC(=O)NCCN2CC=C(C(C)(C)C)CC2)cs1 ZINC000170599181 569142450 /nfs/dbraw/zinc/14/24/50/569142450.db2.gz AWVDFKLEANYAHF-UHFFFAOYSA-N 0 1 430.574 3.634 50 0 IHAAMN Cn1nc2nc(N3CCN(Cc4ccccc4)CC3)nc(-c3ccc(Cl)cc3)c2c1N ZINC000037357996 569175651 /nfs/dbraw/zinc/17/56/51/569175651.db2.gz DNBAYDFWNXFKOS-UHFFFAOYSA-N 0 1 433.947 3.588 50 0 IHAAMN CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002214484 569202810 /nfs/dbraw/zinc/20/28/10/569202810.db2.gz FPNPKKNUBZDJTB-UJAPCULTSA-N 0 1 449.938 3.642 50 0 IHAAMN COc1ccc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470801 569282475 /nfs/dbraw/zinc/28/24/75/569282475.db2.gz FFZVLKHBNLCLGY-HXUWFJFHSA-N 0 1 425.456 3.682 50 0 IHAAMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000013113108 569310627 /nfs/dbraw/zinc/31/06/27/569310627.db2.gz MRBNTRMQHFRSKC-QZTJIDSGSA-N 0 1 437.565 3.529 50 0 IHAAMN C[C@H](NCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000013113107 569310699 /nfs/dbraw/zinc/31/06/99/569310699.db2.gz MRBNTRMQHFRSKC-ROUUACIJSA-N 0 1 437.565 3.529 50 0 IHAAMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000079025030 569322813 /nfs/dbraw/zinc/32/28/13/569322813.db2.gz QLNSTQHQYLJLIY-UHFFFAOYSA-N 0 1 431.646 3.834 50 0 IHAAMN CCOC(=O)C1C(CN2CCc3ccccc32)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214375 569356480 /nfs/dbraw/zinc/35/64/80/569356480.db2.gz ZFUSXPQTQQFCOE-HSZRJFAPSA-N 0 1 435.524 3.708 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCc4ccc(F)cc4)c3=O)c2c1 ZINC000020330491 569360708 /nfs/dbraw/zinc/36/07/08/569360708.db2.gz VDDBUAXIONIJHY-UHFFFAOYSA-N 0 1 440.500 3.785 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCc4ccco4)c3=O)c2c1 ZINC000020331263 569361007 /nfs/dbraw/zinc/36/10/07/569361007.db2.gz DCVSMRJZEDALNE-UHFFFAOYSA-N 0 1 426.498 3.629 50 0 IHAAMN CN(C)CCN(Cc1ccncc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000095418261 569365462 /nfs/dbraw/zinc/36/54/62/569365462.db2.gz IDCYQNMDIBRXJS-UHFFFAOYSA-N 0 1 442.922 3.728 50 0 IHAAMN CN(CC(=O)Nc1ccccc1Cl)C1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000095459845 569369519 /nfs/dbraw/zinc/36/95/19/569369519.db2.gz FJNYEYCXPANBJC-UHFFFAOYSA-N 0 1 449.382 3.967 50 0 IHAAMN COc1ccc(CN2CCC(NC(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1OC ZINC000095475552 569372732 /nfs/dbraw/zinc/37/27/32/569372732.db2.gz RUEWEBIKEDRDEC-UHFFFAOYSA-N 0 1 447.539 3.632 50 0 IHAAMN CCOC(=O)C1C(CN2CCC[C@@H]2c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000095947105 569376268 /nfs/dbraw/zinc/37/62/68/569376268.db2.gz NZWQPAWKMUACDJ-GGAORHGYSA-N 0 1 435.524 3.703 50 0 IHAAMN FC(F)(F)c1nc2cc3c(cc2c(NCC2(N4CCOCC4)CCCCC2)n1)OCO3 ZINC000095948921 569376521 /nfs/dbraw/zinc/37/65/21/569376521.db2.gz RDYZREIUPBJMTJ-UHFFFAOYSA-N 0 1 438.450 3.824 50 0 IHAAMN CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000095997634 569379047 /nfs/dbraw/zinc/37/90/47/569379047.db2.gz SSSUOPGVSHLCBU-CABCVRRESA-N 0 1 432.933 3.927 50 0 IHAAMN O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 ZINC000096103637 569382054 /nfs/dbraw/zinc/38/20/54/569382054.db2.gz MALXCAGVHMHZRQ-UHFFFAOYSA-N 0 1 440.443 3.681 50 0 IHAAMN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1Cl ZINC000096324786 569396151 /nfs/dbraw/zinc/39/61/51/569396151.db2.gz YWIYVYNPQGSPEI-OAHLLOKOSA-N 0 1 439.903 3.625 50 0 IHAAMN COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)n[nH]2)cc1 ZINC000096400025 569400234 /nfs/dbraw/zinc/40/02/34/569400234.db2.gz WHSZDGWISAGBIF-UHFFFAOYSA-N 0 1 432.524 3.737 50 0 IHAAMN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000057335791 569431124 /nfs/dbraw/zinc/43/11/24/569431124.db2.gz IKPIKBCGMCIPBH-ZDUSSCGKSA-N 0 1 435.318 3.842 50 0 IHAAMN O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCC(Cc2ccccc2)CC1 ZINC000002965572 569433006 /nfs/dbraw/zinc/43/30/06/569433006.db2.gz BXJOEYHUCFSBKF-NRFANRHFSA-N 0 1 446.576 3.616 50 0 IHAAMN Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 ZINC000031225728 569454994 /nfs/dbraw/zinc/45/49/94/569454994.db2.gz BSRMBHQAFTZDNT-VWLOTQADSA-N 0 1 433.596 3.890 50 0 IHAAMN Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 ZINC000059415206 569461257 /nfs/dbraw/zinc/46/12/57/569461257.db2.gz SVKLPRDZURGQKV-VMAPLMQKSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)c1 ZINC000009124456 569504346 /nfs/dbraw/zinc/50/43/46/569504346.db2.gz YPCRVRKMXATAPT-NRFANRHFSA-N 0 1 427.888 3.680 50 0 IHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC)cc1 ZINC000009125154 569504602 /nfs/dbraw/zinc/50/46/02/569504602.db2.gz RHNOHMNNKIXAAQ-UHFFFAOYSA-N 0 1 444.376 3.565 50 0 IHAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCCCC2)cc1 ZINC000009126057 569504785 /nfs/dbraw/zinc/50/47/85/569504785.db2.gz XNRGUBWPNQDPNR-FQEVSTJZSA-N 0 1 425.554 3.696 50 0 IHAAMN CN(Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000009155505 569508285 /nfs/dbraw/zinc/50/82/85/569508285.db2.gz CDRDIVWNDQMXOR-UHFFFAOYSA-N 0 1 437.135 3.852 50 0 IHAAMN COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000009220139 569512543 /nfs/dbraw/zinc/51/25/43/569512543.db2.gz KGNTXERSVVDUDB-UHFFFAOYSA-N 0 1 426.494 3.686 50 0 IHAAMN Nc1cc(N)nc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1 ZINC000009220942 569512626 /nfs/dbraw/zinc/51/26/26/569512626.db2.gz GTSCQBYKKYXTKC-UHFFFAOYSA-N 0 1 446.330 3.927 50 0 IHAAMN CCOc1ccc(NC(=O)CC2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000009283124 569518871 /nfs/dbraw/zinc/51/88/71/569518871.db2.gz WQRFDDOXVORDCN-GOSISDBHSA-N 0 1 425.510 3.792 50 0 IHAAMN CCOc1ccc(NC(=O)C[C@H]2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 ZINC000009283124 569518872 /nfs/dbraw/zinc/51/88/72/569518872.db2.gz WQRFDDOXVORDCN-GOSISDBHSA-N 0 1 425.510 3.792 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009337489 569523574 /nfs/dbraw/zinc/52/35/74/569523574.db2.gz SMRQPNWKJDKOIK-FQEVSTJZSA-N 0 1 429.948 3.739 50 0 IHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000009408907 569530725 /nfs/dbraw/zinc/53/07/25/569530725.db2.gz YKHSCQXPXAHAPH-VOIUYBSRSA-N 0 1 449.507 3.914 50 0 IHAAMN CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1OC ZINC000009409282 569530976 /nfs/dbraw/zinc/53/09/76/569530976.db2.gz FDCHKTAISOZCLH-QHCPKHFHSA-N 0 1 437.496 3.507 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCCc1ccc(F)cc1 ZINC000009442746 569535593 /nfs/dbraw/zinc/53/55/93/569535593.db2.gz HJGHULPHENKYOD-UHFFFAOYSA-N 0 1 435.322 3.824 50 0 IHAAMN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009452049 569536430 /nfs/dbraw/zinc/53/64/30/569536430.db2.gz VVBRRZJLVZGCJI-UHFFFAOYSA-N 0 1 443.895 3.572 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000009487784 569539771 /nfs/dbraw/zinc/53/97/71/569539771.db2.gz GILKAXPPISVCGK-OKYOBFRVSA-N 0 1 446.400 3.680 50 0 IHAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1Cl ZINC000009490034 569540134 /nfs/dbraw/zinc/54/01/34/569540134.db2.gz FAEYYQGMYIGMJL-UHFFFAOYSA-N 0 1 425.901 3.801 50 0 IHAAMN O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009507061 569541908 /nfs/dbraw/zinc/54/19/08/569541908.db2.gz JPSCRMOCQNDAMZ-UHFFFAOYSA-N 0 1 442.562 3.939 50 0 IHAAMN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)[nH]n1)CC2)c1ccco1 ZINC000070638476 569549005 /nfs/dbraw/zinc/54/90/05/569549005.db2.gz VQXWWBAWUMZNSV-UHFFFAOYSA-N 0 1 425.495 3.639 50 0 IHAAMN CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(Br)s3)n[nH]2)n1 ZINC000095479745 569584369 /nfs/dbraw/zinc/58/43/69/569584369.db2.gz CPEHUFUNIJQAOP-UHFFFAOYSA-N 0 1 427.305 3.786 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 ZINC000013733776 569584671 /nfs/dbraw/zinc/58/46/71/569584671.db2.gz NITBSHXSLIBEHD-UHFFFAOYSA-N 0 1 442.522 3.615 50 0 IHAAMN CCc1cc(N2CCN(CC)CC2)nc(SCc2cccc(C(=O)NC(C)C)c2)n1 ZINC000006765146 132278728 /nfs/dbraw/zinc/27/87/28/132278728.db2.gz PXMSNPNLXFURDP-UHFFFAOYSA-N 0 1 427.618 3.611 50 0 IHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)c1 ZINC000008601039 132286530 /nfs/dbraw/zinc/28/65/30/132286530.db2.gz IPKYQJXEOQSWSO-UHFFFAOYSA-N 0 1 430.526 3.584 50 0 IHAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000008610338 132288214 /nfs/dbraw/zinc/28/82/14/132288214.db2.gz WGIYBIKCIKDZQN-HXUWFJFHSA-N 0 1 427.976 3.528 50 0 IHAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000009908031 132331647 /nfs/dbraw/zinc/33/16/47/132331647.db2.gz JWHUOWLIZYLIMD-UHFFFAOYSA-N 0 1 445.947 3.920 50 0 IHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000010237637 132335136 /nfs/dbraw/zinc/33/51/36/132335136.db2.gz HSBHFDJYVNLPAK-UHFFFAOYSA-N 0 1 436.339 3.698 50 0 IHAAMN O=C(CC[C@@H]1CCCN(Cc2cccc(F)c2F)C1)N1CCN(c2ccccn2)CC1 ZINC000011816384 132340511 /nfs/dbraw/zinc/34/05/11/132340511.db2.gz RUYKFXLACWGTHK-IBGZPJMESA-N 0 1 428.527 3.701 50 0 IHAAMN CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000022216501 520638809 /nfs/dbraw/zinc/63/88/09/520638809.db2.gz SFUPNIOUZAHBQP-UHFFFAOYSA-N 0 1 441.553 3.515 50 0 IHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012552423 520866198 /nfs/dbraw/zinc/86/61/98/520866198.db2.gz NBRLAJINJJKHDD-UHFFFAOYSA-N 0 1 439.331 3.775 50 0 IHAAMN CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000012875945 520866499 /nfs/dbraw/zinc/86/64/99/520866499.db2.gz FVWMYIFEQVVRDQ-OAQYLSRUSA-N 0 1 427.545 3.532 50 0 IHAAMN CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000012875950 520867380 /nfs/dbraw/zinc/86/73/80/520867380.db2.gz FVWMYIFEQVVRDQ-NRFANRHFSA-N 0 1 427.545 3.532 50 0 IHAAMN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000035453146 521895306 /nfs/dbraw/zinc/89/53/06/521895306.db2.gz SHYSRKLXVUJXPZ-UHFFFAOYSA-N 0 1 441.553 3.602 50 0 IHAAMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326963 523356267 /nfs/dbraw/zinc/35/62/67/523356267.db2.gz WHTFOQQOUHODFZ-GOSISDBHSA-N 0 1 444.373 3.758 50 0 IHAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl ZINC000020722735 523893820 /nfs/dbraw/zinc/89/38/20/523893820.db2.gz XWUDCZXMYUUTCY-WMZOPIPTSA-N 0 1 439.343 3.961 50 0 IHAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000020714874 523909705 /nfs/dbraw/zinc/90/97/05/523909705.db2.gz KHTZXSJJPXANJV-PZJWPPBQSA-N 0 1 438.915 3.505 50 0 IHAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccccc2Cl)CC1 ZINC000012577364 523925918 /nfs/dbraw/zinc/92/59/18/523925918.db2.gz UHWHFOBNPCHQKP-UHFFFAOYSA-N 0 1 432.948 3.768 50 0 IHAAMN COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 ZINC000012781623 524158177 /nfs/dbraw/zinc/15/81/77/524158177.db2.gz PSVKQBNKSJAMTB-GOTSBHOMSA-N 0 1 441.547 3.542 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)c1 ZINC000012731280 524194143 /nfs/dbraw/zinc/19/41/43/524194143.db2.gz HZEHBWJHAJELGA-UHFFFAOYSA-N 0 1 431.602 3.953 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1C ZINC000015026279 524640295 /nfs/dbraw/zinc/64/02/95/524640295.db2.gz IZLUMBPWXGKEIN-UHFFFAOYSA-N 0 1 426.494 3.666 50 0 IHAAMN COc1ccc(NC(=O)c2nnc(CSc3n[nH]c(CC4CCCC4)n3)s2)cc1 ZINC000012908579 524660570 /nfs/dbraw/zinc/66/05/70/524660570.db2.gz GZSGFWMYFIXHMN-UHFFFAOYSA-N 0 1 430.559 3.942 50 0 IHAAMN COc1ccc(NC(=O)c2nnc(CSc3nc(CC4CCCC4)n[nH]3)s2)cc1 ZINC000012908579 524660584 /nfs/dbraw/zinc/66/05/84/524660584.db2.gz GZSGFWMYFIXHMN-UHFFFAOYSA-N 0 1 430.559 3.942 50 0 IHAAMN C[C@H](Cc1ccccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012319930 524743405 /nfs/dbraw/zinc/74/34/05/524743405.db2.gz HVHKWCDLXQIZOV-HXUWFJFHSA-N 0 1 430.552 3.881 50 0 IHAAMN COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)N1CCCC1 ZINC000012796113 524791703 /nfs/dbraw/zinc/79/17/03/524791703.db2.gz AUKKKEDYFKMIKM-UPVQGACJSA-N 0 1 437.584 3.711 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2)cc1 ZINC000012604592 525303956 /nfs/dbraw/zinc/30/39/56/525303956.db2.gz BFEUYJKCJBLKJS-UHFFFAOYSA-N 0 1 429.586 3.790 50 0 IHAAMN COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000012062765 525357062 /nfs/dbraw/zinc/35/70/62/525357062.db2.gz AAQLMSDNAFQARB-FQEVSTJZSA-N 0 1 433.346 3.790 50 0 IHAAMN Cc1c(-c2cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c3ccccc3n2)cnn1C ZINC000020608073 525504372 /nfs/dbraw/zinc/50/43/72/525504372.db2.gz YQDJUYLLWLWXDM-UHFFFAOYSA-N 0 1 440.551 3.948 50 0 IHAAMN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C5CCCC5)CC4)c3C3CC3)n2)o1 ZINC000012279857 525762113 /nfs/dbraw/zinc/76/21/13/525762113.db2.gz BWIKJWGVHZEUCH-UHFFFAOYSA-N 0 1 446.555 3.809 50 0 IHAAMN O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000012458437 526532689 /nfs/dbraw/zinc/53/26/89/526532689.db2.gz AZLSEUIICRUVLY-UHFFFAOYSA-N 0 1 448.523 3.857 50 0 IHAAMN O=C(c1cc(C2CC2)n[nH]1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012431176 526602415 /nfs/dbraw/zinc/60/24/15/526602415.db2.gz PQGDVYUJCRLPNF-NRFANRHFSA-N 0 1 440.563 3.960 50 0 IHAAMN O=C(NCc1cc(C2CC2)[nH]n1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012305727 526638436 /nfs/dbraw/zinc/63/84/36/526638436.db2.gz BZFRNWOPACZPPE-UHFFFAOYSA-N 0 1 442.567 3.766 50 0 IHAAMN O=C(c1ccc2[nH]nnc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022024147 526719547 /nfs/dbraw/zinc/71/95/47/526719547.db2.gz GFWOBZRHELPXAM-UHFFFAOYSA-N 0 1 433.462 3.784 50 0 IHAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Br)cc1 ZINC000020721763 527153709 /nfs/dbraw/zinc/15/37/09/527153709.db2.gz XOUTUAXRSOEMNW-AWEZNQCLSA-N 0 1 446.692 3.883 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)n1 ZINC000000671142 555531303 /nfs/dbraw/zinc/53/13/03/555531303.db2.gz SMVYDFVQMHCCMF-AWEZNQCLSA-N 0 1 446.916 3.645 50 0 IHAAMN CC1=NC(=O)N[C@H](c2cccc(Br)c2)C1C(=O)OCC(Cl)(Cl)Cl ZINC000000844414 555568762 /nfs/dbraw/zinc/56/87/62/555568762.db2.gz OTVUPJMAODWPOW-LLVKDONJSA-N 0 1 442.524 3.990 50 0 IHAAMN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 ZINC000001116538 555634695 /nfs/dbraw/zinc/63/46/95/555634695.db2.gz BQOREIXZWMECMZ-AWNIVKPZSA-N 0 1 438.509 3.555 50 0 IHAAMN CCCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677572 555796098 /nfs/dbraw/zinc/79/60/98/555796098.db2.gz IJLMDPMPZVASPW-SFHVURJKSA-N 0 1 434.968 3.557 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)[nH]c2=O)c1 ZINC000002693292 555799808 /nfs/dbraw/zinc/79/98/08/555799808.db2.gz XSJUYRUBAAELRT-UHFFFAOYSA-N 0 1 447.513 3.502 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)n1 ZINC000002709469 556124781 /nfs/dbraw/zinc/12/47/81/556124781.db2.gz LUABIJMZRZHFKX-UHFFFAOYSA-N 0 1 432.505 3.920 50 0 IHAAMN CC(C)OCCCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973728 556152545 /nfs/dbraw/zinc/15/25/45/556152545.db2.gz ZDJMKBSKKKEARQ-UHFFFAOYSA-N 0 1 442.379 3.533 50 0 IHAAMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2oc1=O ZINC000009187827 556250759 /nfs/dbraw/zinc/25/07/59/556250759.db2.gz SIDZPXAKBURMFF-UHFFFAOYSA-N 0 1 436.873 3.627 50 0 IHAAMN O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000009203215 556257680 /nfs/dbraw/zinc/25/76/80/556257680.db2.gz GRTJRPBYPZYFSA-UHFFFAOYSA-N 0 1 435.505 3.867 50 0 IHAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c(C)n1 ZINC000011662543 556343908 /nfs/dbraw/zinc/34/39/08/556343908.db2.gz ZXUOSMSLIMWWBZ-UHFFFAOYSA-N 0 1 436.560 3.653 50 0 IHAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(C/C(C)=C/c2ccco2)CC1 ZINC000011701842 556347206 /nfs/dbraw/zinc/34/72/06/556347206.db2.gz MRNUHOFNOTZIOG-OBGWFSINSA-N 0 1 428.529 3.611 50 0 IHAAMN O=C(NCCc1cnc[nH]1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000013961444 556349025 /nfs/dbraw/zinc/34/90/25/556349025.db2.gz UEPBIBLEHCYRPD-UHFFFAOYSA-N 0 1 440.838 3.826 50 0 IHAAMN Cc1cccn2c(CN(C)Cc3nc4ccc(F)cc4[nH]3)c(C(=O)N3CCCCC3)nc12 ZINC000011819393 556361505 /nfs/dbraw/zinc/36/15/05/556361505.db2.gz SXFHBIRZFKWISY-UHFFFAOYSA-N 0 1 434.519 3.916 50 0 IHAAMN O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000028254994 556446983 /nfs/dbraw/zinc/44/69/83/556446983.db2.gz DDKILIIJTITMDG-UHFFFAOYSA-N 0 1 446.834 3.809 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1 ZINC000028835806 556462154 /nfs/dbraw/zinc/46/21/54/556462154.db2.gz QEWUBUMWVKCJHI-UHFFFAOYSA-N 0 1 441.509 3.520 50 0 IHAAMN COc1ccc(NC(=O)CCC2CCN(Cc3cnc(SC)nc3)CC2)c(OC)c1 ZINC000014970765 556467064 /nfs/dbraw/zinc/46/70/64/556467064.db2.gz LACXRFQLSQAZBS-UHFFFAOYSA-N 0 1 430.574 3.847 50 0 IHAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000030531486 556496972 /nfs/dbraw/zinc/49/69/72/556496972.db2.gz BLYNGSVAIVUJFL-OAHLLOKOSA-N 0 1 430.404 3.504 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000013556458 556516565 /nfs/dbraw/zinc/51/65/65/556516565.db2.gz GILKAXPPISVCGK-MANSERQUSA-N 0 1 446.400 3.680 50 0 IHAAMN Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 ZINC000072308655 556565543 /nfs/dbraw/zinc/56/55/43/556565543.db2.gz PTRSAVJLTUNFPU-QHCPKHFHSA-N 0 1 444.583 3.656 50 0 IHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015996504 556571755 /nfs/dbraw/zinc/57/17/55/556571755.db2.gz YPCHADOSNDGCAG-NBCVKUGOSA-N 0 1 437.499 3.579 50 0 IHAAMN CCOC(=O)C1C(COC(=O)Cc2coc3cc(C)ccc23)=NC(=O)N[C@H]1c1ccccc1 ZINC000016045532 556579495 /nfs/dbraw/zinc/57/94/95/556579495.db2.gz CCUGYJWQKNDSOS-QHCPKHFHSA-N 0 1 448.475 3.698 50 0 IHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007175 556655796 /nfs/dbraw/zinc/65/57/96/556655796.db2.gz KVNLNLRHGDFITE-UHFFFAOYSA-N 0 1 431.514 3.524 50 0 IHAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)[nH]n2)o1 ZINC000042926081 556660055 /nfs/dbraw/zinc/66/00/55/556660055.db2.gz WEHXLTOWGCQJRT-HXUWFJFHSA-N 0 1 433.556 3.713 50 0 IHAAMN COc1ccc(NC(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(C)c1 ZINC000055107930 556734855 /nfs/dbraw/zinc/73/48/55/556734855.db2.gz WKYYZXWSHNGVED-HXUWFJFHSA-N 0 1 438.572 3.831 50 0 IHAAMN CN(C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080038 556756647 /nfs/dbraw/zinc/75/66/47/556756647.db2.gz PFLAUIRUKZRSSJ-OALUTQOASA-N 0 1 434.581 3.705 50 0 IHAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000058158809 556763553 /nfs/dbraw/zinc/76/35/53/556763553.db2.gz NAGQDLNGZSWQAK-OALUTQOASA-N 0 1 426.483 3.633 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000097940859 556811474 /nfs/dbraw/zinc/81/14/74/556811474.db2.gz RDDSREMKAJZMRE-UHFFFAOYSA-N 0 1 428.514 3.632 50 0 IHAAMN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(Cc4ccccc4)CC3)c2C1=O ZINC000064053613 556822543 /nfs/dbraw/zinc/82/25/43/556822543.db2.gz UINPDVMPIHIRPC-KRWDZBQOSA-N 0 1 432.549 3.823 50 0 IHAAMN Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 ZINC000070686740 556877711 /nfs/dbraw/zinc/87/77/11/556877711.db2.gz LSGWJALQGUMIRM-STVSDHCOSA-N 0 1 438.612 3.710 50 0 IHAAMN C[C@@H]1CCCN(C(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CCN(C)CC2)C1 ZINC000019741978 556885523 /nfs/dbraw/zinc/88/55/23/556885523.db2.gz UMOVXZKHIQKWOT-HXUWFJFHSA-N 0 1 439.575 3.877 50 0 IHAAMN CN(CCc1cn[nH]c1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000020149063 556990715 /nfs/dbraw/zinc/99/07/15/556990715.db2.gz KUZCBORHXDHVSI-UHFFFAOYSA-N 0 1 428.968 3.792 50 0 IHAAMN C[C@H]1CCCCN1C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000032948532 557059195 /nfs/dbraw/zinc/05/91/95/557059195.db2.gz XXTBZTMCRSWOSY-LBPRGKRZSA-N 0 1 432.596 3.998 50 0 IHAAMN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1)c1ccc2ccccc2n1 ZINC000049406719 557102176 /nfs/dbraw/zinc/10/21/76/557102176.db2.gz UUJNQBVZXUADEC-UHFFFAOYSA-N 0 1 425.492 3.660 50 0 IHAAMN CCc1ccc(OCCOC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023224739 557116344 /nfs/dbraw/zinc/11/63/44/557116344.db2.gz FKRNAKKPQOCXAR-QFIPXVFZSA-N 0 1 432.992 3.789 50 0 IHAAMN Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000049662094 557117262 /nfs/dbraw/zinc/11/72/62/557117262.db2.gz LSGWJALQGUMIRM-IUHGBDCNSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 ZINC000025768640 557225094 /nfs/dbraw/zinc/22/50/94/557225094.db2.gz CMTVIAYKUADMER-UHFFFAOYSA-N 0 1 429.523 3.694 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000018151772 557243833 /nfs/dbraw/zinc/24/38/33/557243833.db2.gz MURCILWVRZTRIQ-ZLNRFVROSA-N 0 1 448.450 3.894 50 0 IHAAMN COC(=O)C[C@@H](c1cccc2ccccc21)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604419624 557251872 /nfs/dbraw/zinc/25/18/72/557251872.db2.gz IPWPQNPNZSRZGP-NRFANRHFSA-N 0 1 431.492 3.676 50 0 IHAAMN CCOC(=O)C1=C(NS(=O)(=O)c2cccc(C(C)=O)c2)Nc2ccccc2N=C1CC ZINC000102386957 557320382 /nfs/dbraw/zinc/32/03/82/557320382.db2.gz LNMPHAUDNMOSEQ-UHFFFAOYSA-N 0 1 441.509 3.550 50 0 IHAAMN CCN(CC)C(=O)c1cccc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000072308764 557329438 /nfs/dbraw/zinc/32/94/38/557329438.db2.gz LAHSKUYYSZVPHW-DEOSSOPVSA-N 0 1 437.584 3.869 50 0 IHAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102722488 557369263 /nfs/dbraw/zinc/36/92/63/557369263.db2.gz UELMKLYKBHWQJF-DNVJHFABSA-N 0 1 430.460 3.760 50 0 IHAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000102896647 557411240 /nfs/dbraw/zinc/41/12/40/557411240.db2.gz LBZWKNDPUBTGPH-RHSMWYFYSA-N 0 1 432.521 3.562 50 0 IHAAMN CC(C)S(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000225398369 557718407 /nfs/dbraw/zinc/71/84/07/557718407.db2.gz XPIPSAGDMVLQOM-LBPRGKRZSA-N 0 1 429.947 3.646 50 0 IHAAMN Cc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450517 557734215 /nfs/dbraw/zinc/73/42/15/557734215.db2.gz JCTRSSDLFAICRW-UHFFFAOYSA-N 0 1 435.343 3.857 50 0 IHAAMN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000018524054 557829358 /nfs/dbraw/zinc/82/93/58/557829358.db2.gz NKPOISNCWMEMMJ-UHFFFAOYSA-N 0 1 429.477 3.516 50 0 IHAAMN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1)c1ccccc1 ZINC000008345871 562949256 /nfs/dbraw/zinc/94/92/56/562949256.db2.gz ZMRYEQCCMCFPGI-QFIPXVFZSA-N 0 1 429.586 3.534 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1 ZINC000008685547 562962553 /nfs/dbraw/zinc/96/25/53/562962553.db2.gz JJGPULKFZXUKJH-UHFFFAOYSA-N 0 1 432.523 3.747 50 0 IHAAMN COCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000011844430 562979648 /nfs/dbraw/zinc/97/96/48/562979648.db2.gz RTQNYYJFCWPHFG-UHFFFAOYSA-N 0 1 437.569 3.640 50 0 IHAAMN Cc1cccc(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)C[C@H]2C)c1 ZINC000015941243 563019434 /nfs/dbraw/zinc/01/94/34/563019434.db2.gz 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ZINC000064818001 568965035 /nfs/dbraw/zinc/96/50/35/568965035.db2.gz PXXGUQRKZXIHDT-UHFFFAOYSA-N 0 1 425.960 3.830 50 0 IHAAMN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340369 569078810 /nfs/dbraw/zinc/07/88/10/569078810.db2.gz YVVPAWNERUNHQA-QHCPKHFHSA-N 0 1 434.559 3.549 50 0 IHAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341852 569078970 /nfs/dbraw/zinc/07/89/70/569078970.db2.gz YMDVFLFKHKUDBH-QFIPXVFZSA-N 0 1 435.524 3.834 50 0 IHAAMN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000036360670 569086656 /nfs/dbraw/zinc/08/66/56/569086656.db2.gz ABXSRYKYJSVDIY-OAQYLSRUSA-N 0 1 440.569 3.767 50 0 IHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2onc(C(=O)N3CCCC3)c2c1 ZINC000065115194 569106802 /nfs/dbraw/zinc/10/68/02/569106802.db2.gz KLWWQVQRBLGHEG-UHFFFAOYSA-N 0 1 435.889 3.527 50 0 IHAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000170623895 569148413 /nfs/dbraw/zinc/14/84/13/569148413.db2.gz 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/nfs/dbraw/zinc/38/95/80/569389580.db2.gz XKJBXDPQERDZBM-UHFFFAOYSA-N 0 1 441.645 3.958 50 0 IHAAMN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324552 569395929 /nfs/dbraw/zinc/39/59/29/569395929.db2.gz FKPCBWJNMPKCDB-UHFFFAOYSA-N 0 1 443.429 3.981 50 0 IHAAMN COc1ccc(CC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 ZINC000097064080 569403031 /nfs/dbraw/zinc/40/30/31/569403031.db2.gz BVZBUVCVVSMDFY-UHFFFAOYSA-N 0 1 429.564 3.876 50 0 IHAAMN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3n[nH]c(CCC4CCCC4)n3)ccc21 ZINC000031797377 569457404 /nfs/dbraw/zinc/45/74/04/569457404.db2.gz MNTHOXNJAVAMBI-UHFFFAOYSA-N 0 1 448.614 3.615 50 0 IHAAMN CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(CCC4CCCC4)n[nH]3)ccc21 ZINC000031797377 569457405 /nfs/dbraw/zinc/45/74/05/569457405.db2.gz MNTHOXNJAVAMBI-UHFFFAOYSA-N 0 1 448.614 3.615 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000031812022 569457818 /nfs/dbraw/zinc/45/78/18/569457818.db2.gz WDTFLXNRSWSCJC-HNNXBMFYSA-N 0 1 445.430 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ZINC000009126056 569504799 /nfs/dbraw/zinc/50/47/99/569504799.db2.gz XNRGUBWPNQDPNR-HXUWFJFHSA-N 0 1 425.554 3.696 50 0 IHAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3)cc21 ZINC000040450282 569506267 /nfs/dbraw/zinc/50/62/67/569506267.db2.gz KDSIZLBVCJEMCT-UHFFFAOYSA-N 0 1 427.295 3.688 50 0 IHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(Br)cc2C[C@H]1C ZINC000040450692 569506432 /nfs/dbraw/zinc/50/64/32/569506432.db2.gz CWILMRZFTACZNB-LLVKDONJSA-N 0 1 441.322 3.995 50 0 IHAAMN O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000069598391 569508843 /nfs/dbraw/zinc/50/88/43/569508843.db2.gz SUOXPADYKWUDFP-MRXNPFEDSA-N 0 1 430.327 3.952 50 0 IHAAMN CCOC(=O)C1C(CN2CCc3ccccc32)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000009221150 569512637 /nfs/dbraw/zinc/51/26/37/569512637.db2.gz WDCLGLYUQWTYBO-HXUWFJFHSA-N 0 1 443.450 3.522 50 0 IHAAMN CCCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000009328360 569522906 /nfs/dbraw/zinc/52/29/06/569522906.db2.gz 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CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)on1 ZINC000009637728 569554873 /nfs/dbraw/zinc/55/48/73/569554873.db2.gz RMDTXKVYDFWJTL-UHFFFAOYSA-N 0 1 430.482 3.945 50 0 IHAAMN COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000009805567 569568752 /nfs/dbraw/zinc/56/87/52/569568752.db2.gz NWKCFPBYTQTQGX-UHFFFAOYSA-N 0 1 430.457 3.896 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3SC)cs2)cc1 ZINC000009828654 569569855 /nfs/dbraw/zinc/56/98/55/569569855.db2.gz BTQWOEFLIWTKLH-UHFFFAOYSA-N 0 1 449.579 3.856 50 0 IHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000009368137 132231389 /nfs/dbraw/zinc/23/13/89/132231389.db2.gz DISBZOZRKRVLAG-MRXNPFEDSA-N 0 1 437.569 3.990 50 0 IHAAMN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccccc2F)CC1 ZINC000009076566 132302136 /nfs/dbraw/zinc/30/21/36/132302136.db2.gz GFJOAAJWXVXGQG-UHFFFAOYSA-N 0 1 438.503 3.635 50 0 IHAAMN c1ccc(NNc2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000013756428 132354387 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/nfs/dbraw/zinc/64/26/95/524642695.db2.gz MOPXYQSOMJILAL-UHFFFAOYSA-N 0 1 446.550 3.914 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2F)c1 ZINC000012557302 524643729 /nfs/dbraw/zinc/64/37/29/524643729.db2.gz OLHXSNDCYHVQRQ-UHFFFAOYSA-N 0 1 430.457 3.522 50 0 IHAAMN Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000012600758 524728808 /nfs/dbraw/zinc/72/88/08/524728808.db2.gz OCFRBQVLKFUZRI-UHFFFAOYSA-N 0 1 440.525 3.610 50 0 IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 ZINC000020554914 524878692 /nfs/dbraw/zinc/87/86/92/524878692.db2.gz XBUWNCHKDGICBH-UHFFFAOYSA-N 0 1 440.525 3.562 50 0 IHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012551817 525078180 /nfs/dbraw/zinc/07/81/80/525078180.db2.gz WZRNWCOYTUVEBU-UHFFFAOYSA-N 0 1 440.551 3.792 50 0 IHAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000012545744 525264962 /nfs/dbraw/zinc/26/49/62/525264962.db2.gz AYZUHWMSDJHSST-UHFFFAOYSA-N 0 1 428.963 3.535 50 0 IHAAMN Cc1[nH]c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1 ZINC000009338316 525413733 /nfs/dbraw/zinc/41/37/33/525413733.db2.gz WFBGICWBCGLRRR-UHFFFAOYSA-N 0 1 426.567 3.689 50 0 IHAAMN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1 ZINC000012441330 525656053 /nfs/dbraw/zinc/65/60/53/525656053.db2.gz AEYSVOXJCWLGQE-UHFFFAOYSA-N 0 1 442.472 3.662 50 0 IHAAMN Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)C2)n1 ZINC000035454318 525666465 /nfs/dbraw/zinc/66/64/65/525666465.db2.gz DSDXGIIUDHCWPP-OAQYLSRUSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 ZINC000022764155 526296090 /nfs/dbraw/zinc/29/60/90/526296090.db2.gz CTFPIFIOLNGROH-LJQANCHMSA-N 0 1 426.586 3.541 50 0 IHAAMN O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000015477100 526504045 /nfs/dbraw/zinc/50/40/45/526504045.db2.gz HIMVXJIJTHFASP-GOSISDBHSA-N 0 1 448.361 3.505 50 0 IHAAMN O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000035431363 526596408 /nfs/dbraw/zinc/59/64/08/526596408.db2.gz NBCBUMBXICQKIQ-UHFFFAOYSA-N 0 1 441.535 3.640 50 0 IHAAMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000022792616 526775320 /nfs/dbraw/zinc/77/53/20/526775320.db2.gz LIEKWPUPJRRIOD-UHFFFAOYSA-N 0 1 431.536 3.757 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012779156 527051155 /nfs/dbraw/zinc/05/11/55/527051155.db2.gz GVHAZLYBCRPHSB-UHFFFAOYSA-N 0 1 433.493 3.726 50 0 IHAAMN O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022803330 527059582 /nfs/dbraw/zinc/05/95/82/527059582.db2.gz RKMYAZLGYVAHFI-UHFFFAOYSA-N 0 1 446.595 3.996 50 0 IHAAMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000009670046 535445481 /nfs/dbraw/zinc/44/54/81/535445481.db2.gz ZHVWWHDRRUREMU-HNNXBMFYSA-N 0 1 426.542 3.918 50 0 IHAAMN COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000008617195 537065724 /nfs/dbraw/zinc/06/57/24/537065724.db2.gz CADAGQIVDPUEEB-UHFFFAOYSA-N 0 1 443.960 3.575 50 0 IHAAMN CC1=NC(=O)N[C@H](c2ccc(Br)cc2)C1C(=O)OCC(Cl)(Cl)Cl ZINC000000844390 555568786 /nfs/dbraw/zinc/56/87/86/555568786.db2.gz ARKGEXWCKXUIQY-LLVKDONJSA-N 0 1 442.524 3.990 50 0 IHAAMN CC1(C)[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[C@H]1C=C(Cl)Cl ZINC000000913106 555582803 /nfs/dbraw/zinc/58/28/03/555582803.db2.gz BXRJPUFWPKJPOD-HIFRSBDPSA-N 0 1 441.340 3.807 50 0 IHAAMN Cc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)N[C@@H]4CCCc5ccccc54)c3C2)cc1 ZINC000034797175 555918388 /nfs/dbraw/zinc/91/83/88/555918388.db2.gz NMYQUEFIMXHLNZ-JOCHJYFZSA-N 0 1 428.536 3.653 50 0 IHAAMN CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000008723242 556203734 /nfs/dbraw/zinc/20/37/34/556203734.db2.gz RAUOAVZEVRHMTO-UHFFFAOYSA-N 0 1 426.498 3.545 50 0 IHAAMN CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000009253244 556267302 /nfs/dbraw/zinc/26/73/02/556267302.db2.gz VZLYCVPJJMRVDG-SFHVURJKSA-N 0 1 445.288 3.801 50 0 IHAAMN O=C(Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1)c1cccnc1 ZINC000011661080 556342690 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50 0 IHAAMN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000032926346 556655439 /nfs/dbraw/zinc/65/54/39/556655439.db2.gz ZTUFWZVCPQGMPY-UHFFFAOYSA-N 0 1 429.311 3.871 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000017097995 556662537 /nfs/dbraw/zinc/66/25/37/556662537.db2.gz NIKUQRFDOCPUPO-UHFFFAOYSA-N 0 1 432.523 3.605 50 0 IHAAMN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(O)c12)c1ccccc1 ZINC000100486645 556664355 /nfs/dbraw/zinc/66/43/55/556664355.db2.gz VHJSCQSNCPYRRD-PZJWPPBQSA-N 0 1 429.863 3.957 50 0 aggregator IHAAMN COc1cc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000001107118 556690820 /nfs/dbraw/zinc/69/08/20/556690820.db2.gz OZBRQVWXQQYJJR-WIJYMUHASA-N 0 1 432.480 3.896 50 0 IHAAMN Cc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)N[C@H]4CCCc5ccccc54)c3C2)cc1 ZINC000034797176 556706795 /nfs/dbraw/zinc/70/67/95/556706795.db2.gz NMYQUEFIMXHLNZ-QFIPXVFZSA-N 0 1 428.536 3.653 50 0 IHAAMN O=C(CC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000019148672 556707221 /nfs/dbraw/zinc/70/72/21/556707221.db2.gz QTGNNFIWGVXBJC-IBGZPJMESA-N 0 1 428.527 3.701 50 0 IHAAMN CCCCn1c(CN(C)CCc2nc3ccc(Cl)cc3[nH]2)cnc1S(=O)(=O)CC ZINC000019218117 556713133 /nfs/dbraw/zinc/71/31/33/556713133.db2.gz PKEXIOFRGFMHRS-UHFFFAOYSA-N 0 1 437.997 3.681 50 0 IHAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061992822 556766886 /nfs/dbraw/zinc/76/68/86/556766886.db2.gz HXHILYRRLVJUGI-UOXXKCJCSA-N 0 1 445.003 3.747 50 0 biogenic IHAAMN COc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)c2ccccc2)cc1 ZINC000058251611 556775895 /nfs/dbraw/zinc/77/58/95/556775895.db2.gz UUJYZWIGAVDIOR-ZHRRBRCNSA-N 0 1 428.492 3.596 50 0 IHAAMN COc1cc(CN(Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068990 556839185 /nfs/dbraw/zinc/83/91/85/556839185.db2.gz SEXXYLTXUHLKFK-UHFFFAOYSA-N 0 1 431.558 3.748 50 0 IHAAMN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)c(OC)c1 ZINC000033071579 556851978 /nfs/dbraw/zinc/85/19/78/556851978.db2.gz FHRXBBYDMBTGNE-HNNXBMFYSA-N 0 1 428.920 3.766 50 0 IHAAMN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4ccc(Cl)cc4[nH]3)C2)cc1OC ZINC000033071416 556852070 /nfs/dbraw/zinc/85/20/70/556852070.db2.gz SWSZSVIJXKHNKC-INIZCTEOSA-N 0 1 442.947 3.809 50 0 IHAAMN CCOc1ccc(-c2cnc(NCc3cc(OC)c(O)c(OC)c3)n2CCOC)cc1 ZINC000004679208 556873856 /nfs/dbraw/zinc/87/38/56/556873856.db2.gz AVCTXMVJXCLPFJ-UHFFFAOYSA-N 0 1 427.501 3.930 50 0 IHAAMN COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)c1 ZINC000033173860 556884003 /nfs/dbraw/zinc/88/40/03/556884003.db2.gz FPEKQEORQOJRNY-UHFFFAOYSA-N 0 1 431.461 3.953 50 0 IHAAMN CCc1nnc(NC(=O)CCc2nc(CSc3nc4ccc(C)cc4[nH]3)no2)s1 ZINC000033270723 557047261 /nfs/dbraw/zinc/04/72/61/557047261.db2.gz TYQLSAYRHLEQOQ-UHFFFAOYSA-N 0 1 429.531 3.532 50 0 IHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000023236658 557075988 /nfs/dbraw/zinc/07/59/88/557075988.db2.gz DMDUVILYCCLJLF-UHFFFAOYSA-N 0 1 449.599 3.583 50 0 IHAAMN 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C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015151097 556506544 /nfs/dbraw/zinc/50/65/44/556506544.db2.gz SINFFPJLLNCYFK-JTQLQIEISA-N 0 1 431.297 3.549 50 0 IHAAMN Nc1ncc(Br)nc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000072301524 556525179 /nfs/dbraw/zinc/52/51/79/556525179.db2.gz MMCSLPSSLQNUPQ-UHFFFAOYSA-N 0 1 427.237 3.756 50 0 IHAAMN COc1ccc(C)cc1NC(=O)[C@H](NC[C@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900796 556535090 /nfs/dbraw/zinc/53/50/90/556535090.db2.gz PVXBBZABLPWDGG-ISKFKSNPSA-N 0 1 425.573 3.630 50 0 IHAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000032902946 556541266 /nfs/dbraw/zinc/54/12/66/556541266.db2.gz ZQFXEGDGRAVHFH-QRWLVFNGSA-N 0 1 442.441 3.798 50 0 IHAAMN CN(C)[C@@H](CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1cccc(F)c1 ZINC000032983596 556603482 /nfs/dbraw/zinc/60/34/82/556603482.db2.gz VFIVIOUZLVSOMF-QHCPKHFHSA-N 0 1 444.510 3.617 50 0 IHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)[nH]c2=O)c(C)c1 ZINC000016840144 556645530 /nfs/dbraw/zinc/64/55/30/556645530.db2.gz SKNFHQIKPHEVHV-UHFFFAOYSA-N 0 1 447.513 3.502 50 0 IHAAMN Cc1cc(C)cc(OCCc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)c1 ZINC000016957354 556650705 /nfs/dbraw/zinc/65/07/05/556650705.db2.gz NFJZXVUZDOUCQA-UHFFFAOYSA-N 0 1 432.568 3.639 50 0 IHAAMN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137628461 556697777 /nfs/dbraw/zinc/69/77/77/556697777.db2.gz ILJJGQCDYHLQGO-YTFSRNRJSA-N 0 1 442.471 3.833 50 0 IHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)CC1 ZINC000055384173 556740815 /nfs/dbraw/zinc/74/08/15/556740815.db2.gz KMRPCXWRPVVPOU-HSZRJFAPSA-N 0 1 439.575 3.970 50 0 IHAAMN C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)[C@H](C)CO1 ZINC000058703176 556791213 /nfs/dbraw/zinc/79/12/13/556791213.db2.gz YNIRCSWYXWRPTD-CHWSQXEVSA-N 0 1 426.897 3.529 50 0 IHAAMN COc1ccccc1[C@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)N1CCCCC1 ZINC000059782459 556804450 /nfs/dbraw/zinc/80/44/50/556804450.db2.gz SLHFEZPQAXITRQ-QFIPXVFZSA-N 0 1 448.567 3.598 50 0 IHAAMN Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000019630278 556832303 /nfs/dbraw/zinc/83/23/03/556832303.db2.gz BDFHISQXJQKUFO-UHFFFAOYSA-N 0 1 439.566 3.735 50 0 IHAAMN COc1ccc(NC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1Cl ZINC000065365543 556835849 /nfs/dbraw/zinc/83/58/49/556835849.db2.gz PMSSHPDDZJGWAJ-UHFFFAOYSA-N 0 1 439.907 3.631 50 0 IHAAMN O=C(NCc1ccccc1F)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071329 556851816 /nfs/dbraw/zinc/85/18/16/556851816.db2.gz LINRWOIPVIOMLW-AWEZNQCLSA-N 0 1 431.309 3.997 50 0 IHAAMN COCc1cc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)ccc1OC ZINC000019774991 556913433 /nfs/dbraw/zinc/91/34/33/556913433.db2.gz HMYZHRBEPUHQAK-DEOSSOPVSA-N 0 1 442.600 3.536 50 0 IHAAMN COc1ccc(-c2nn(CN3CCN(Cc4ccccc4)CC3)c(=S)o2)cc1OC ZINC000019815851 556919384 /nfs/dbraw/zinc/91/93/84/556919384.db2.gz IVVDVBHGVUJJEH-UHFFFAOYSA-N 0 1 426.542 3.665 50 0 IHAAMN O[C@H](COCc1ccco1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146651 556993939 /nfs/dbraw/zinc/99/39/39/556993939.db2.gz WDTGGJSRMKQODF-RBBKRZOGSA-N 0 1 438.499 3.992 50 0 IHAAMN CCN1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086383 556997338 /nfs/dbraw/zinc/99/73/38/556997338.db2.gz XOQHRTVLLQBCGX-AREMUKBSSA-N 0 1 447.579 3.646 50 0 IHAAMN Cn1c2cc(NS(=O)(=O)c3ccc(F)c(F)c3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009567 557019743 /nfs/dbraw/zinc/01/97/43/557019743.db2.gz FPTRZKIYCLJJCI-UHFFFAOYSA-N 0 1 445.447 3.748 50 0 IHAAMN O=C(CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1)Nc1c(F)cccc1F ZINC000033270891 557048235 /nfs/dbraw/zinc/04/82/35/557048235.db2.gz OKYPLDXRNLZCFL-UHFFFAOYSA-N 0 1 442.451 3.997 50 0 IHAAMN CCc1nnc(NC(=O)CCc2nc(CSc3nc4ccc(Cl)cc4[nH]3)no2)s1 ZINC000033270999 557048573 /nfs/dbraw/zinc/04/85/73/557048573.db2.gz OVBWUFDDYBHYSU-UHFFFAOYSA-N 0 1 449.949 3.877 50 0 IHAAMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Br)cc1Cl ZINC000022930067 557049714 /nfs/dbraw/zinc/04/97/14/557049714.db2.gz OTDDFBREDCCTNS-UHFFFAOYSA-N 0 1 436.781 3.901 50 0 IHAAMN C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307193 557086422 /nfs/dbraw/zinc/08/64/22/557086422.db2.gz MPQVCICHDHRVRZ-MRXNPFEDSA-N 0 1 444.532 3.695 50 0 IHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)n[nH]2)cc1 ZINC000049406695 557102184 /nfs/dbraw/zinc/10/21/84/557102184.db2.gz QFPBLWJLWKOXHU-UHFFFAOYSA-N 0 1 448.523 3.519 50 0 IHAAMN CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC(C)(C)[NH2+]1 ZINC000011422685 557146150 /nfs/dbraw/zinc/14/61/50/557146150.db2.gz BWSHNHWDVKAWFU-UHFFFAOYSA-N 0 1 433.549 3.666 50 0 IHAAMN C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)n1cncn1 ZINC000024576349 557151743 /nfs/dbraw/zinc/15/17/43/557151743.db2.gz RJECYQNQOZKLPK-NSHDSACASA-N 0 1 440.312 3.585 50 0 IHAAMN O=C(Nc1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000025045963 557190389 /nfs/dbraw/zinc/19/03/89/557190389.db2.gz RCPVAZTVWSQEMZ-UHFFFAOYSA-N 0 1 439.468 3.764 50 0 IHAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185117 557199430 /nfs/dbraw/zinc/19/94/30/557199430.db2.gz FWMBGTDTZQRUNY-UTKZUKDTSA-N 0 1 446.290 3.864 50 0 IHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000011603839 557207994 /nfs/dbraw/zinc/20/79/94/557207994.db2.gz ISIJHDCMJBJFQX-HSZRJFAPSA-N 0 1 433.531 3.990 50 0 IHAAMN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1OC ZINC000011614661 557211118 /nfs/dbraw/zinc/21/11/18/557211118.db2.gz DNPAJIITEWMKKT-IBGZPJMESA-N 0 1 442.899 3.570 50 0 IHAAMN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000101081718 557230097 /nfs/dbraw/zinc/23/00/97/557230097.db2.gz VQCOQBCTHBUVPH-ZRBLBEILSA-N 0 1 448.450 3.894 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000027335733 557260571 /nfs/dbraw/zinc/26/05/71/557260571.db2.gz PAOHINXOAMFVOV-HXUWFJFHSA-N 0 1 425.916 3.710 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)N(Cc4ccccc4)C(C)C)c3=O)c2c1 ZINC000101497680 557289559 /nfs/dbraw/zinc/28/95/59/557289559.db2.gz CJFWYKDFBJOMIE-UHFFFAOYSA-N 0 1 436.537 3.986 50 0 IHAAMN CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000247859979 557364702 /nfs/dbraw/zinc/36/47/02/557364702.db2.gz FPNPKKNUBZDJTB-PEKRRXIPSA-N 0 1 449.938 3.642 50 0 IHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102728529 557370560 /nfs/dbraw/zinc/37/05/60/557370560.db2.gz JHOANXJVAKMHAI-DNVJHFABSA-N 0 1 430.460 3.755 50 0 IHAAMN COc1ccccc1-n1c(O)c2c(C(=O)c3ccccc3)nn(-c3ccc(C)cc3)c2c1O ZINC000100487410 557409978 /nfs/dbraw/zinc/40/99/78/557409978.db2.gz GMEACKGFWFQHFV-GGAORHGYSA-N 0 1 439.471 3.621 50 0 IHAAMN CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)C3=C2O)cc1 ZINC000103140257 557422474 /nfs/dbraw/zinc/42/24/74/557422474.db2.gz JMUHLGHJSMADLW-PKOBYXMFSA-N 0 1 443.297 3.921 50 0 IHAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000105061282 557475664 /nfs/dbraw/zinc/47/56/64/557475664.db2.gz QYKQPLCFEQLYNZ-XXBNENTESA-N 0 1 439.625 3.719 50 0 IHAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1OC ZINC000226971359 557811567 /nfs/dbraw/zinc/81/15/67/557811567.db2.gz PXSJQVJGJHFENU-QZNHQXDQSA-N 0 1 430.460 3.755 50 0 IHAAMN COC(=O)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606661 562957056 /nfs/dbraw/zinc/95/70/56/562957056.db2.gz MJEASRWGDWRNOW-HSZRJFAPSA-N 0 1 440.459 3.709 50 0 IHAAMN C[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000016842849 563021007 /nfs/dbraw/zinc/02/10/07/563021007.db2.gz GVSOIVKMMKVGQB-GOSISDBHSA-N 0 1 439.581 3.906 50 0 IHAAMN Cc1ccc2nc(CCNC(=O)c3nc(-c4ccc(N5CCCCC5)cc4)no3)[nH]c2c1 ZINC000085807867 568625421 /nfs/dbraw/zinc/62/54/21/568625421.db2.gz DHAJWCQRJCDSFA-UHFFFAOYSA-N 0 1 430.512 3.884 50 0 IHAAMN CCOc1ccccc1-c1cc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)O2)[nH]n1 ZINC000015729014 568813296 /nfs/dbraw/zinc/81/32/96/568813296.db2.gz WGSJSOLRFGBNCF-QHCPKHFHSA-N 0 1 436.468 3.732 50 0 IHAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)c1 ZINC000015772835 568823088 /nfs/dbraw/zinc/82/30/88/568823088.db2.gz CRFHEUVTMUCXNK-UHFFFAOYSA-N 0 1 443.595 3.734 50 0 IHAAMN COc1ccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCCCC2)cc1 ZINC000006336567 568893220 /nfs/dbraw/zinc/89/32/20/568893220.db2.gz LKJFGKBWINVKLK-HXUWFJFHSA-N 0 1 427.570 3.615 50 0 IHAAMN CC(=O)[C@@H]1C(=C(O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000245309433 568914259 /nfs/dbraw/zinc/91/42/59/568914259.db2.gz CTLOGBVHJCVBFC-FQJHJXCSSA-N 0 1 449.510 3.952 50 0 IHAAMN C[NH+](Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12)[C@H]1CCCc2ccccc21 ZINC000248152486 568919056 /nfs/dbraw/zinc/91/90/56/568919056.db2.gz UQFLNEGBDZAKCR-FQEVSTJZSA-N 0 1 437.613 3.683 50 0 IHAAMN CN(C)c1nc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)nc(NCc2ccccc2)n1 ZINC000252629198 568926418 /nfs/dbraw/zinc/92/64/18/568926418.db2.gz UAXSEFILZLZRBV-UHFFFAOYSA-N 0 1 426.868 3.557 50 0 IHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O ZINC000035829451 568927968 /nfs/dbraw/zinc/92/79/68/568927968.db2.gz WBZLSZXBEALTBH-ZDLGFXPLSA-N 0 1 426.835 3.772 50 0 IHAAMN COc1cccc(CN(C[C@@H](O)COCC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146434 568962757 /nfs/dbraw/zinc/96/27/57/568962757.db2.gz GQIYZWJBAHIZBS-VWNXMTODSA-N 0 1 444.547 3.863 50 0 IHAAMN COc1cccc(CN2CC=C(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c1 ZINC000064817998 568965088 /nfs/dbraw/zinc/96/50/88/568965088.db2.gz XKYYJEHYYZSNKA-UHFFFAOYSA-N 0 1 425.960 3.830 50 0 IHAAMN Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C[C@@H](C)O)C2CC2)c(C)c1 ZINC000036309394 568995925 /nfs/dbraw/zinc/99/59/25/568995925.db2.gz PEBKOSGAWPWCHE-NQIIRXRSSA-N 0 1 428.598 3.715 50 0 IHAAMN CCc1nc(C)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1cccc(F)c1 ZINC000036340702 569078923 /nfs/dbraw/zinc/07/89/23/569078923.db2.gz KFIGIPRTKUBFEX-XMMPIXPASA-N 0 1 448.586 3.803 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000036345677 569080873 /nfs/dbraw/zinc/08/08/73/569080873.db2.gz BXNNHFZADKCKPV-VWLOTQADSA-N 0 1 434.584 3.627 50 0 IHAAMN Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)Nc1ccccc1 ZINC000065116765 569107528 /nfs/dbraw/zinc/10/75/28/569107528.db2.gz ISRBLBBPFLHRLD-UHFFFAOYSA-N 0 1 432.527 3.533 50 0 IHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccccc3C)cn2C)sc1C(=O)N1CCCC1 ZINC000065137405 569110443 /nfs/dbraw/zinc/11/04/43/569110443.db2.gz NSJYCZSVUYDLKF-UHFFFAOYSA-N 0 1 444.582 3.802 50 0 IHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(Br)cc2)o1 ZINC000065194053 569114781 /nfs/dbraw/zinc/11/47/81/569114781.db2.gz YDTZXBYHALBKNI-UHFFFAOYSA-N 0 1 425.308 3.564 50 0 IHAAMN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N1CCN(CC(C)C)CC1 ZINC000065194985 569115289 /nfs/dbraw/zinc/11/52/89/569115289.db2.gz WBDOIXWMNFAFQN-UHFFFAOYSA-N 0 1 439.535 3.761 50 0 IHAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000036584203 569119796 /nfs/dbraw/zinc/11/97/96/569119796.db2.gz ZRFGYEOLMPCITA-LSKLOWJMSA-N 0 1 439.343 3.961 50 0 IHAAMN O=C(N[C@H](c1nn[nH]n1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 ZINC000065552476 569139748 /nfs/dbraw/zinc/13/97/48/569139748.db2.gz NCOOGLAYUUNVPC-HNNXBMFYSA-N 0 1 432.843 3.774 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000017012266 569170506 /nfs/dbraw/zinc/17/05/06/569170506.db2.gz QFVDNOUTRLIBOC-UHFFFAOYSA-N 0 1 444.377 3.500 50 0 IHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1coc2ccccc2c1=O ZINC000253402999 569265017 /nfs/dbraw/zinc/26/50/17/569265017.db2.gz GVWQHIHWRSFMGE-CYBMUJFWSA-N 0 1 432.384 3.557 50 0 biogenic IHAAMN COc1ccc(NC(=O)C[C@@H](c2ccc(OC)c(O)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470710 569282419 /nfs/dbraw/zinc/28/24/19/569282419.db2.gz AJOSWSXQISZEED-KRWDZBQOSA-N 0 1 425.437 3.537 50 0 IHAAMN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OCC ZINC000002431286 569303276 /nfs/dbraw/zinc/30/32/76/569303276.db2.gz KGIWAVQQZHESFF-JOCHJYFZSA-N 0 1 436.508 3.697 50 0 IHAAMN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCC(=O)Nc1ccccc1C(N)=O ZINC000095995953 569378698 /nfs/dbraw/zinc/37/86/98/569378698.db2.gz BFLSPJCRCZULNB-ADLMAVQZSA-N 0 1 434.359 3.559 50 0 IHAAMN COc1cccc(-c2cc(C(=O)N3CCc4nc(NC(=O)c5ccoc5)sc4C3)n[nH]2)c1 ZINC000096024329 569380463 /nfs/dbraw/zinc/38/04/63/569380463.db2.gz PYXIERGCPBULRZ-UHFFFAOYSA-N 0 1 449.492 3.586 50 0 IHAAMN O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1cccc2ccccc21 ZINC000096024219 569380555 /nfs/dbraw/zinc/38/05/55/569380555.db2.gz CHCAGEBIVSNNDF-UHFFFAOYSA-N 0 1 426.520 3.576 50 0 IHAAMN CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890458 569424461 /nfs/dbraw/zinc/42/44/61/569424461.db2.gz DFBMNDNOWRVTLC-GOSISDBHSA-N 0 1 427.298 3.662 50 0 IHAAMN C[C@@H]1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000029981458 569439996 /nfs/dbraw/zinc/43/99/96/569439996.db2.gz WGAWOMNNSSMRSY-OYRHEFFESA-N 0 1 432.568 3.828 50 0 IHAAMN CCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3c(C)c(C)sc3nc12 ZINC000003339749 569446766 /nfs/dbraw/zinc/44/67/66/569446766.db2.gz OMUQRJSXGFQSLW-UHFFFAOYSA-N 0 1 440.452 3.778 50 0 IHAAMN O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031338969 569456066 /nfs/dbraw/zinc/45/60/66/569456066.db2.gz XFGAAYKMSNYRQN-XMMPIXPASA-N 0 1 441.575 3.867 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1c(Cl)cccc1Cl)SCC(=O)N2 ZINC000031806896 569457531 /nfs/dbraw/zinc/45/75/31/569457531.db2.gz LGIBXGQIUMFDFS-HNNXBMFYSA-N 0 1 446.323 3.929 50 0 IHAAMN CSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000008710303 569470860 /nfs/dbraw/zinc/47/08/60/569470860.db2.gz QRSJOAJZVHQLRG-UHFFFAOYSA-N 0 1 434.930 3.905 50 0 IHAAMN O=C(c1cc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)c[nH]1)N1CCCC1 ZINC000040074748 569486332 /nfs/dbraw/zinc/48/63/32/569486332.db2.gz OLVMBIBGKUEMLA-UHFFFAOYSA-N 0 1 436.537 3.746 50 0 IHAAMN CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120905 569489480 /nfs/dbraw/zinc/48/94/80/569489480.db2.gz PATDIKZLVLUMPJ-AEFFLSMTSA-N 0 1 439.503 3.535 50 0 IHAAMN COc1ccc([C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)N2CCCCC2)cc1 ZINC000040140857 569491619 /nfs/dbraw/zinc/49/16/19/569491619.db2.gz BSSCDHQPSUIFSX-HXUWFJFHSA-N 0 1 443.979 3.696 50 0 IHAAMN CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000040149618 569492594 /nfs/dbraw/zinc/49/25/94/569492594.db2.gz LHKGYABLQQHGOD-APWZRJJASA-N 0 1 428.964 3.825 50 0 IHAAMN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366575 569502493 /nfs/dbraw/zinc/50/24/93/569502493.db2.gz DJSOGJVFSWXGMX-HNAYVOBHSA-N 0 1 437.437 3.617 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1 ZINC000040450575 569506372 /nfs/dbraw/zinc/50/63/72/569506372.db2.gz SBGWOOGBDVRRAZ-NSHDSACASA-N 0 1 439.331 3.556 50 0 IHAAMN CCCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000009328351 569522912 /nfs/dbraw/zinc/52/29/12/569522912.db2.gz OAKIGROXORGDSA-JOCHJYFZSA-N 0 1 436.508 3.697 50 0 IHAAMN COc1ccc(NC(=O)c2cnc(C)cn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009441842 569535441 /nfs/dbraw/zinc/53/54/41/569535441.db2.gz OIJPFWCZHOHVHY-UHFFFAOYSA-N 0 1 432.889 3.500 50 0 IHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000009446273 569535911 /nfs/dbraw/zinc/53/59/11/569535911.db2.gz QCFIPKZPDZJBBD-NRFANRHFSA-N 0 1 427.888 3.680 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000009487789 569539739 /nfs/dbraw/zinc/53/97/39/569539739.db2.gz GILKAXPPISVCGK-HCXYKTFWSA-N 0 1 446.400 3.680 50 0 IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 ZINC000009529584 569544890 /nfs/dbraw/zinc/54/48/90/569544890.db2.gz BUJNUEVBSHSEGW-UHFFFAOYSA-N 0 1 440.525 3.562 50 0 IHAAMN CCOC(=O)C1C(COC(=O)CCc2ccsc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000009613909 569553088 /nfs/dbraw/zinc/55/30/88/569553088.db2.gz AQKOYLYJBGJZAJ-LJQANCHMSA-N 0 1 448.928 3.749 50 0 IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)on1 ZINC000009637530 569554767 /nfs/dbraw/zinc/55/47/67/569554767.db2.gz LJIZYRSWYGFWJS-UHFFFAOYSA-N 0 1 436.873 3.981 50 0 IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)on1 ZINC000009637535 569554777 /nfs/dbraw/zinc/55/47/77/569554777.db2.gz VPVWZUHTMQWQRK-UHFFFAOYSA-N 0 1 436.873 3.981 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030613 569577310 /nfs/dbraw/zinc/57/73/10/569577310.db2.gz OHJQYKSUYUVEEP-ICSRJNTNSA-N 0 1 429.948 3.739 50 0 IHAAMN CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1 ZINC000004711677 132272984 /nfs/dbraw/zinc/27/29/84/132272984.db2.gz PDUNURBDPWABSY-UHFFFAOYSA-N 0 1 425.529 3.656 50 0 IHAAMN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000006287967 132276916 /nfs/dbraw/zinc/27/69/16/132276916.db2.gz XGVJAKOOVVRIQU-UHFFFAOYSA-N 0 1 434.565 3.727 50 0 IHAAMN Cc1ccc(Cl)cc1N1CCN(CCCNc2ncnc3c2nc2n3CCCC2)CC1 ZINC000009153386 132307053 /nfs/dbraw/zinc/30/70/53/132307053.db2.gz KYLLHVWFZFXFIC-UHFFFAOYSA-N 0 1 439.995 3.749 50 0 IHAAMN CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(F)cc2)cc1 ZINC000035421871 519013102 /nfs/dbraw/zinc/01/31/02/519013102.db2.gz HKNQHEBBDRQRBP-UHFFFAOYSA-N 0 1 425.548 3.588 50 0 IHAAMN CCOC(=O)C1C(CNCc2ccccc2Cl)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412555 520519692 /nfs/dbraw/zinc/51/96/92/520519692.db2.gz RPKUJCLNCUFXIG-IBGZPJMESA-N 0 1 434.323 3.954 50 0 IHAAMN CCOc1ccc(C2=NC(=O)C(CC(=O)Nc3cccc(C(C)=O)c3)S2)cc1OC ZINC000035685022 520929614 /nfs/dbraw/zinc/92/96/14/520929614.db2.gz FNNLZPBARDTBRJ-LJQANCHMSA-N 0 1 426.494 3.714 50 0 IHAAMN CCOC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012407580 520958231 /nfs/dbraw/zinc/95/82/31/520958231.db2.gz BMSREMXKTWEQPT-JOCHJYFZSA-N 0 1 437.496 3.647 50 0 IHAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020677663 521628948 /nfs/dbraw/zinc/62/89/48/521628948.db2.gz ZEBLUWFPMYBOTF-UHFFFAOYSA-N 0 1 435.572 3.520 50 0 IHAAMN C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccs1 ZINC000012557135 522022112 /nfs/dbraw/zinc/02/21/12/522022112.db2.gz CGZQEGMGDUGULT-IBGZPJMESA-N 0 1 429.567 3.582 50 0 IHAAMN CCc1nc2sc([C@@H](c3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854689 522536706 /nfs/dbraw/zinc/53/67/06/522536706.db2.gz WSHGICQRJHTJQN-OAQYLSRUSA-N 0 1 433.581 3.966 50 0 IHAAMN CN(CCc1ccccn1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012320380 522962275 /nfs/dbraw/zinc/96/22/75/522962275.db2.gz HKRNYYBZKMMDBO-UHFFFAOYSA-N 0 1 430.552 3.835 50 0 IHAAMN COc1ccc(-c2nc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)cs2)cc1OC ZINC000022609310 523190485 /nfs/dbraw/zinc/19/04/85/523190485.db2.gz QOXFOINKSAHFBQ-GOSISDBHSA-N 0 1 429.517 3.999 50 0 IHAAMN CCn1nc(C)c(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1C ZINC000012315901 523640536 /nfs/dbraw/zinc/64/05/36/523640536.db2.gz RNWVMWNGJJQTAQ-UHFFFAOYSA-N 0 1 440.588 3.808 50 0 IHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cn2cc(C)ccc2n1 ZINC000012300132 523689444 /nfs/dbraw/zinc/68/94/44/523689444.db2.gz ZAMODFZRVMAGAZ-UHFFFAOYSA-N 0 1 438.547 3.783 50 0 IHAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1OC ZINC000012429615 524025633 /nfs/dbraw/zinc/02/56/33/524025633.db2.gz LVISYMQHWKRDQW-UHFFFAOYSA-N 0 1 434.540 3.919 50 0 IHAAMN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020860689 524199813 /nfs/dbraw/zinc/19/98/13/524199813.db2.gz YSEJPAZSUAVCGF-KRWDZBQOSA-N 0 1 427.932 3.973 50 0 IHAAMN Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CCN(Cc2cccnc2)CC3)c1 ZINC000012097628 524368672 /nfs/dbraw/zinc/36/86/72/524368672.db2.gz UYJXWMFHOROHQH-QHCPKHFHSA-N 0 1 446.599 3.865 50 0 IHAAMN C[C@H](CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)Oc1cccnc1 ZINC000012318314 524464390 /nfs/dbraw/zinc/46/43/90/524464390.db2.gz GAEOEPXFVHFRSB-HXUWFJFHSA-N 0 1 446.551 3.717 50 0 IHAAMN Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1C ZINC000070670130 524558220 /nfs/dbraw/zinc/55/82/20/524558220.db2.gz IYVNGAUMUARQSV-DEHLDAEVSA-N 0 1 438.612 3.710 50 0 IHAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1OC ZINC000021931873 524652519 /nfs/dbraw/zinc/65/25/19/524652519.db2.gz SKOIRQRRLQYWLE-UHFFFAOYSA-N 0 1 441.509 3.769 50 0 IHAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000012652166 524674236 /nfs/dbraw/zinc/67/42/36/524674236.db2.gz UKQVMJKOSXUJJE-UHFFFAOYSA-N 0 1 446.554 3.664 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc(F)c3)ccc2OC)cc1 ZINC000012763197 524688580 /nfs/dbraw/zinc/68/85/80/524688580.db2.gz GQYMEPKUPPFQIE-UHFFFAOYSA-N 0 1 444.484 3.825 50 0 IHAAMN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 ZINC000020911276 524939942 /nfs/dbraw/zinc/93/99/42/524939942.db2.gz NDCZFCSYQIBNFF-IBGZPJMESA-N 0 1 443.551 3.893 50 0 IHAAMN Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)C2)n1 ZINC000035454314 525667998 /nfs/dbraw/zinc/66/79/98/525667998.db2.gz DSDXGIIUDHCWPP-NRFANRHFSA-N 0 1 442.007 3.683 50 0 IHAAMN C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000022035984 525742161 /nfs/dbraw/zinc/74/21/61/525742161.db2.gz GCQXXVXUSMINJH-AREMUKBSSA-N 0 1 449.620 3.698 50 0 IHAAMN CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1 ZINC000022698283 526075439 /nfs/dbraw/zinc/07/54/39/526075439.db2.gz QLTRRWWFOBDVED-HSZRJFAPSA-N 0 1 439.581 3.562 50 0 IHAAMN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748792 526118974 /nfs/dbraw/zinc/11/89/74/526118974.db2.gz CTJBXMPRJPAZOQ-VGSWGCGISA-N 0 1 449.551 3.648 50 0 IHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000012846605 526521599 /nfs/dbraw/zinc/52/15/99/526521599.db2.gz OEVCXJYJCMQVEY-UHFFFAOYSA-N 0 1 441.572 3.564 50 0 IHAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021548891 526767994 /nfs/dbraw/zinc/76/79/94/526767994.db2.gz XPPZCFDHGMOSFI-UHFFFAOYSA-N 0 1 443.547 3.804 50 0 IHAAMN O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000021143544 527222980 /nfs/dbraw/zinc/22/29/80/527222980.db2.gz GJSFXTIMDVKGHP-UHFFFAOYSA-N 0 1 440.500 3.874 50 0 IHAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012526036 527530760 /nfs/dbraw/zinc/53/07/60/527530760.db2.gz CFGQMEXQDBQPPY-UHFFFAOYSA-N 0 1 449.576 3.882 50 0 IHAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1noc2c1CSc1ccccc1-2 ZINC000015674055 527667255 /nfs/dbraw/zinc/66/72/55/527667255.db2.gz TUOJCVBXBYCHDJ-UHFFFAOYSA-N 0 1 434.565 3.889 50 0 IHAAMN Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccc(Br)c3)n2)cc1 ZINC000008444948 556179218 /nfs/dbraw/zinc/17/92/18/556179218.db2.gz AKEAXNWOWJEQRK-QPJJXVBHSA-N 0 1 431.315 3.793 50 0 IHAAMN CCSc1ncc(Br)c(C(=O)Nc2nonc2-c2ccc(OC)cc2)n1 ZINC000009410274 556288121 /nfs/dbraw/zinc/28/81/21/556288121.db2.gz LIKVDSJBDOZMNI-UHFFFAOYSA-N 0 1 436.291 3.662 50 0 IHAAMN O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000011767247 556349785 /nfs/dbraw/zinc/34/97/85/556349785.db2.gz FEHOYYCHUGPMJK-DEOSSOPVSA-N 0 1 443.547 3.799 50 0 IHAAMN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC000011789912 556355386 /nfs/dbraw/zinc/35/53/86/556355386.db2.gz QRUKCACXDZYCDT-SFHVURJKSA-N 0 1 444.491 3.686 50 0 IHAAMN CN(Cc1nc2ccc(F)cc2[nH]1)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000011817406 556359902 /nfs/dbraw/zinc/35/99/02/556359902.db2.gz IWJQRTGFFLUYAX-UHFFFAOYSA-N 0 1 426.521 3.669 50 0 IHAAMN CCOC(=O)[C@H]1CCCCN1C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011908915 556374377 /nfs/dbraw/zinc/37/43/77/556374377.db2.gz SCHRHEKRZNRAPT-HSZRJFAPSA-N 0 1 427.589 3.745 50 0 IHAAMN COc1ccccc1CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(F)c(OC)c1)CC2 ZINC000011910027 556374649 /nfs/dbraw/zinc/37/46/49/556374649.db2.gz FLQMIICJJLACFJ-FQEVSTJZSA-N 0 1 426.532 3.804 50 0 IHAAMN CCOc1cccc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1 ZINC000014958166 556463064 /nfs/dbraw/zinc/46/30/64/556463064.db2.gz RRXVOULRVPMAIZ-UHFFFAOYSA-N 0 1 442.556 3.514 50 0 IHAAMN Cc1c(C(=O)N2CCC[C@@H](c3ccccc3)C2)sc2ncnc(N3CCN(C)CC3)c12 ZINC000014986820 556472964 /nfs/dbraw/zinc/47/29/64/556472964.db2.gz JPNCPBORFCGYFR-LJQANCHMSA-N 0 1 435.597 3.771 50 0 IHAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cc3ccc(SC)cc3)C2)CC1 ZINC000015073129 556497319 /nfs/dbraw/zinc/49/73/19/556497319.db2.gz SUOCSXPLHYQSAP-NRFANRHFSA-N 0 1 439.625 3.773 50 0 IHAAMN COc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC2CCCC2)c(OC)c1 ZINC000065265670 556522927 /nfs/dbraw/zinc/52/29/27/556522927.db2.gz FETKUVCMFPBEDX-UHFFFAOYSA-N 0 1 449.555 3.762 50 0 biogenic IHAAMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccccc1Br ZINC000072304586 556548810 /nfs/dbraw/zinc/54/88/10/556548810.db2.gz HGQUTKXDYWZWHV-UHFFFAOYSA-N 0 1 432.362 3.781 50 0 IHAAMN COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015900379 556562270 /nfs/dbraw/zinc/56/22/70/556562270.db2.gz GMMRLUNUJYKVLF-KRWDZBQOSA-N 0 1 445.324 3.920 50 0 IHAAMN O=S(=O)(Nc1ccc(I)cc1)c1ccccc1Br ZINC000016125348 556584650 /nfs/dbraw/zinc/58/46/50/556584650.db2.gz YZVRKJITKZSQFP-UHFFFAOYSA-N 0 1 438.084 3.855 50 0 IHAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000016487857 556611687 /nfs/dbraw/zinc/61/16/87/556611687.db2.gz TUAPUXWSARXQSP-UHFFFAOYSA-N 0 1 439.556 3.674 50 0 IHAAMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCC[C@H]1C1CCCCC1 ZINC000071812724 556630184 /nfs/dbraw/zinc/63/01/84/556630184.db2.gz HUEXLCKOCYVOKL-INIZCTEOSA-N 0 1 435.590 3.576 50 0 IHAAMN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856994 556672826 /nfs/dbraw/zinc/67/28/26/556672826.db2.gz TXCANIUBIGTSAX-JOCHJYFZSA-N 0 1 432.561 3.709 50 0 IHAAMN CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000019316451 556735849 /nfs/dbraw/zinc/73/58/49/556735849.db2.gz AMQGYNLXPIOZJA-UHFFFAOYSA-N 0 1 442.610 3.627 50 0 IHAAMN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055310544 556740150 /nfs/dbraw/zinc/74/01/50/556740150.db2.gz KZKKXIJAPPAMKB-QHCPKHFHSA-N 0 1 431.584 3.548 50 0 IHAAMN CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)CC1 ZINC000058156853 556762708 /nfs/dbraw/zinc/76/27/08/556762708.db2.gz FWYGFSVFVYNWRF-UHFFFAOYSA-N 0 1 434.540 3.724 50 0 IHAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061992820 556766934 /nfs/dbraw/zinc/76/69/34/556766934.db2.gz HXHILYRRLVJUGI-MGPYLOASSA-N 0 1 445.003 3.747 50 0 biogenic IHAAMN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC(CN2CCOCC2)CC1 ZINC000058268949 556777051 /nfs/dbraw/zinc/77/70/51/556777051.db2.gz IJEVGEGVFUQFTQ-UHFFFAOYSA-N 0 1 440.510 3.882 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000097940895 556810791 /nfs/dbraw/zinc/81/07/91/556810791.db2.gz GAIZNMGVVZRLAD-UHFFFAOYSA-N 0 1 432.477 3.544 50 0 IHAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(OC)cc4)ccc3n2)CC1 ZINC000033084668 556854707 /nfs/dbraw/zinc/85/47/07/556854707.db2.gz FJGFVOKGMRVXCM-UHFFFAOYSA-N 0 1 434.540 3.711 50 0 IHAAMN CCN1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086418 556997401 /nfs/dbraw/zinc/99/74/01/556997401.db2.gz KTYWNIQAODHIJR-VWLOTQADSA-N 0 1 435.543 3.777 50 0 IHAAMN Cc1cc2nc(COc3ccc(Cl)cc3NS(=O)(=O)c3ccccc3)cc(=O)n2o1 ZINC000046047997 557026114 /nfs/dbraw/zinc/02/61/14/557026114.db2.gz UZDXSKPNQWBCIE-UHFFFAOYSA-N 0 1 445.884 3.629 50 0 IHAAMN CCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033298877 557074875 /nfs/dbraw/zinc/07/48/75/557074875.db2.gz YEZDGMYOYOBFAN-UHFFFAOYSA-N 0 1 434.923 3.683 50 0 IHAAMN Cc1csc(-c2cc(S(=O)(=O)Nc3ccccc3C)cn2CC(=O)N2CCCC2)n1 ZINC000033307544 557086537 /nfs/dbraw/zinc/08/65/37/557086537.db2.gz UOCKADGXIZTFAS-UHFFFAOYSA-N 0 1 444.582 3.652 50 0 IHAAMN COc1cccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)n[nH]2)c1 ZINC000049406560 557101958 /nfs/dbraw/zinc/10/19/58/557101958.db2.gz PYNYUORLXLYPMF-UHFFFAOYSA-N 0 1 438.915 3.773 50 0 IHAAMN COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000049406673 557102277 /nfs/dbraw/zinc/10/22/77/557102277.db2.gz PNSVMINHRXTWPQ-UHFFFAOYSA-N 0 1 432.524 3.737 50 0 IHAAMN Cc1ccc([C@H](CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000049605850 557115188 /nfs/dbraw/zinc/11/51/88/557115188.db2.gz FPULPKBIZYTKSQ-QFIPXVFZSA-N 0 1 448.032 3.520 50 0 IHAAMN Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1C ZINC000049626720 557115930 /nfs/dbraw/zinc/11/59/30/557115930.db2.gz ZZSQDHGSNRGFRY-FSGHIYQYSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN CCc1ccc(OCCOC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023224740 557116400 /nfs/dbraw/zinc/11/64/00/557116400.db2.gz FKRNAKKPQOCXAR-JOCHJYFZSA-N 0 1 432.992 3.789 50 0 IHAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024759217 557135216 /nfs/dbraw/zinc/13/52/16/557135216.db2.gz MWHIVCMGHDZGND-QFIPXVFZSA-N 0 1 443.503 3.643 50 0 IHAAMN Cc1nc2scc(-c3cccs3)c2c(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)n1 ZINC000024204154 557140792 /nfs/dbraw/zinc/14/07/92/557140792.db2.gz YCCYODKOGVYWTI-RDJZCZTQSA-N 0 1 430.599 3.877 50 0 IHAAMN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc2C)c1 ZINC000024865337 557175385 /nfs/dbraw/zinc/17/53/85/557175385.db2.gz WXGYTRBPMXQJHO-UHFFFAOYSA-N 0 1 431.602 3.953 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)cc1OC ZINC000024924897 557179354 /nfs/dbraw/zinc/17/93/54/557179354.db2.gz WZVOKIQCYSOPAN-UHFFFAOYSA-N 0 1 433.511 3.522 50 0 IHAAMN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1Cl ZINC000026549105 557244534 /nfs/dbraw/zinc/24/45/34/557244534.db2.gz JXBXPSGONQNIOY-UHFFFAOYSA-N 0 1 431.341 3.878 50 0 IHAAMN CC(C)N(Cc1nccn1C)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000011663926 557258619 /nfs/dbraw/zinc/25/86/19/557258619.db2.gz DKOQHFRKOQNOGJ-RUZDIDTESA-N 0 1 448.611 3.629 50 0 IHAAMN CC[C@H](COC)NC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023327109 557313230 /nfs/dbraw/zinc/31/32/30/557313230.db2.gz KWWPEOJRAXUILH-OAQYLSRUSA-N 0 1 432.568 3.712 50 0 IHAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000102879017 557407441 /nfs/dbraw/zinc/40/74/41/557407441.db2.gz LAAOEHWWDROFND-SJLPKXTDSA-N 0 1 444.557 3.568 50 0 IHAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000102896656 557411165 /nfs/dbraw/zinc/41/11/65/557411165.db2.gz WRSLWJOBTJUQPZ-IEBWSBKVSA-N 0 1 442.585 3.986 50 0 IHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000051316807 557465154 /nfs/dbraw/zinc/46/51/54/557465154.db2.gz HMFLINDPDUFKTI-UHFFFAOYSA-N 0 1 447.854 3.771 50 0 IHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000008606581 562957096 /nfs/dbraw/zinc/95/70/96/562957096.db2.gz FBZWOXAVQVJGPI-RUZDIDTESA-N 0 1 441.487 3.899 50 0 aggregator IHAAMN C[C@H](NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1)c1nc2ccccc2n1C ZINC000008614459 562959660 /nfs/dbraw/zinc/95/96/60/562959660.db2.gz LGDDMLCDEBUKOR-LBPRGKRZSA-N 0 1 426.933 3.981 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Br)cc1 ZINC000000958038 568645981 /nfs/dbraw/zinc/64/59/81/568645981.db2.gz MADAVWWQPMPYLY-UHFFFAOYSA-N 0 1 432.299 3.897 50 0 IHAAMN Cc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000006142713 568845404 /nfs/dbraw/zinc/84/54/04/568845404.db2.gz RGWURXDMYMENPM-UHFFFAOYSA-N 0 1 425.510 3.989 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccnn4C)cc3C)s2)cc1 ZINC000015862067 568848483 /nfs/dbraw/zinc/84/84/83/568848483.db2.gz UJFOBEIUCLEPGQ-UHFFFAOYSA-N 0 1 441.538 3.700 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000015865409 568850148 /nfs/dbraw/zinc/85/01/48/568850148.db2.gz LOBHHLQSKATNNA-UHFFFAOYSA-N 0 1 435.505 3.691 50 0 IHAAMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000229653530 568886703 /nfs/dbraw/zinc/88/67/03/568886703.db2.gz LOHHOWLCEFWUJV-BBTUJRGHSA-N 0 1 449.599 3.532 50 0 IHAAMN COc1ccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCCCC2)cc1 ZINC000006336570 568893069 /nfs/dbraw/zinc/89/30/69/568893069.db2.gz LKJFGKBWINVKLK-FQEVSTJZSA-N 0 1 427.570 3.615 50 0 IHAAMN CCc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1OC ZINC000064580443 568934300 /nfs/dbraw/zinc/93/43/00/568934300.db2.gz ZAGPLEAMKGLTOJ-UHFFFAOYSA-N 0 1 439.537 3.688 50 0 IHAAMN CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000027025311 568939270 /nfs/dbraw/zinc/93/92/70/568939270.db2.gz GZNJYXCGBKMZMY-UHFFFAOYSA-N 0 1 435.509 3.836 50 0 IHAAMN CC(C)COC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146104 568962052 /nfs/dbraw/zinc/96/20/52/568962052.db2.gz VXZNFRHZEDOISL-PKTZIBPZSA-N 0 1 432.511 3.994 50 0 IHAAMN O[C@H](COCc1ccccc1)CN(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147387 568962359 /nfs/dbraw/zinc/96/23/59/568962359.db2.gz CACSYLKMKUVIIP-QFIPXVFZSA-N 0 1 433.508 3.952 50 0 IHAAMN COc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1OC ZINC000169677800 568989915 /nfs/dbraw/zinc/98/99/15/568989915.db2.gz BTTKWFHJAVCJMO-CTNGQTDRSA-N 0 1 435.948 3.778 50 0 IHAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341853 569078942 /nfs/dbraw/zinc/07/89/42/569078942.db2.gz YMDVFLFKHKUDBH-JOCHJYFZSA-N 0 1 435.524 3.834 50 0 IHAAMN CCc1nc(C)nc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340626 569079005 /nfs/dbraw/zinc/07/90/05/569079005.db2.gz YYMYTBRNYITPSL-VWLOTQADSA-N 0 1 444.623 3.972 50 0 IHAAMN Cc1ccc(-n2cc3c(c(C(=O)NCCN4CCCC[C@H]4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000483 569085976 /nfs/dbraw/zinc/08/59/76/569085976.db2.gz CCKJHTMXRTTZQW-LJQANCHMSA-N 0 1 449.595 3.905 50 0 IHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000036370444 569088699 /nfs/dbraw/zinc/08/86/99/569088699.db2.gz BSKKTIHAIIMXPA-FUHWJXTLSA-N 0 1 428.558 3.732 50 0 IHAAMN COc1cccc(NC(=O)C[C@H](c2ccc(OC)c(O)c2)c2c(O)cc(C)oc2=O)c1 ZINC000253471635 569094850 /nfs/dbraw/zinc/09/48/50/569094850.db2.gz WLNWQFBTYJLYEM-QGZVFWFLSA-N 0 1 425.437 3.537 50 0 IHAAMN CCc1cccc(-n2nnc(C(=O)N3CCN(C4CCCCC4)CC3)c2-c2ccncc2)c1 ZINC000065083209 569102204 /nfs/dbraw/zinc/10/22/04/569102204.db2.gz VOPMNBVOPUAIJU-UHFFFAOYSA-N 0 1 444.583 3.982 50 0 IHAAMN CCOc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)cc1 ZINC000065115962 569107041 /nfs/dbraw/zinc/10/70/41/569107041.db2.gz RCLSGWSTEOIAPM-UHFFFAOYSA-N 0 1 445.497 3.817 50 0 IHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000065194114 569114770 /nfs/dbraw/zinc/11/47/70/569114770.db2.gz CVIGJEFPLUDFOQ-UHFFFAOYSA-N 0 1 430.408 3.700 50 0 IHAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000036589860 569121128 /nfs/dbraw/zinc/12/11/28/569121128.db2.gz ZUCJBLACTHVRBP-WBVHZDCISA-N 0 1 425.316 3.571 50 0 IHAAMN O=C(NCc1ccco1)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265714 569127149 /nfs/dbraw/zinc/12/71/49/569127149.db2.gz MOVPPAZDZPWBLW-DEOSSOPVSA-N 0 1 430.512 3.664 50 0 biogenic IHAAMN O=C1[C@H](NCc2cc(Br)c3c(c2)OCCCO3)CCN1c1ccccc1F ZINC000170626138 569148608 /nfs/dbraw/zinc/14/86/08/569148608.db2.gz ZMFRJYUECVPTSV-MRXNPFEDSA-N 0 1 435.293 3.645 50 0 IHAAMN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCC[C@@H]1C1CCCCC1 ZINC000071812723 569154542 /nfs/dbraw/zinc/15/45/42/569154542.db2.gz HUEXLCKOCYVOKL-MRXNPFEDSA-N 0 1 435.590 3.576 50 0 IHAAMN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CCCC2)CC1)OCc1ccccc1 ZINC000089829961 569165457 /nfs/dbraw/zinc/16/54/57/569165457.db2.gz DCKKRJUMJNBAFN-DEOSSOPVSA-N 0 1 435.568 3.611 50 0 IHAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC ZINC000252517475 569189335 /nfs/dbraw/zinc/18/93/35/569189335.db2.gz JLTFFELJKDPHEW-LIXBPZJASA-N 0 1 439.343 3.961 50 0 IHAAMN CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000195529362 569204263 /nfs/dbraw/zinc/20/42/63/569204263.db2.gz LHKGYABLQQHGOD-VQIMIIECSA-N 0 1 428.964 3.825 50 0 IHAAMN O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002219411 569204276 /nfs/dbraw/zinc/20/42/76/569204276.db2.gz WEIKFUAOJXMQNV-UHFFFAOYSA-N 0 1 437.609 3.832 50 0 IHAAMN Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1C ZINC000252695451 569211113 /nfs/dbraw/zinc/21/11/13/569211113.db2.gz ZZSQDHGSNRGFRY-YEMUBGRISA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000009373606 569295972 /nfs/dbraw/zinc/29/59/72/569295972.db2.gz NQHAOAXIXCZCKM-BJMVGYQFSA-N 0 1 448.426 3.948 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N4CCc5ccccc5C4)c3=O)c2c1 ZINC000020330625 569360848 /nfs/dbraw/zinc/36/08/48/569360848.db2.gz JVYFHJWSAORXKR-UHFFFAOYSA-N 0 1 448.548 3.914 50 0 IHAAMN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 ZINC000095468047 569371193 /nfs/dbraw/zinc/37/11/93/569371193.db2.gz HZWNGSYWFMPWJR-OAHLLOKOSA-N 0 1 437.481 3.539 50 0 IHAAMN O=C(NC1CC1)c1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1Cl ZINC000095946256 569376018 /nfs/dbraw/zinc/37/60/18/569376018.db2.gz KSOGUZHIDVSSDO-UHFFFAOYSA-N 0 1 448.995 3.589 50 0 IHAAMN O=c1cc2c(c3oc(-c4ccccc4)cc(O)c1-3)[C@@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115714 569383505 /nfs/dbraw/zinc/38/35/05/569383505.db2.gz SGQHNJWAHJFAPT-CQSZACIVSA-N 0 1 425.400 3.649 50 0 biogenic IHAAMN CCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2)cc1 ZINC000021748579 569400610 /nfs/dbraw/zinc/40/06/10/569400610.db2.gz CYRLHQLQNZTOQK-UHFFFAOYSA-N 0 1 441.509 3.714 50 0 IHAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccccc3)no2)CC1 ZINC000028006892 569405870 /nfs/dbraw/zinc/40/58/70/569405870.db2.gz PQWOHSRMZNKBLZ-UHFFFAOYSA-N 0 1 425.920 3.713 50 0 IHAAMN O=C(c1cc(-c2ccc3c(c2)OCO3)[nH]n1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732842 569407727 /nfs/dbraw/zinc/40/77/27/569407727.db2.gz LNUAJSWEFHJKCM-CQSZACIVSA-N 0 1 446.385 3.513 50 0 IHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000002622867 569411249 /nfs/dbraw/zinc/41/12/49/569411249.db2.gz RQOQOYCOTBTOAN-UHFFFAOYSA-N 0 1 432.889 3.636 50 0 IHAAMN CCn1ncc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1C ZINC000002804918 569422603 /nfs/dbraw/zinc/42/26/03/569422603.db2.gz IZNJNVHCXNDSRP-UHFFFAOYSA-N 0 1 425.917 3.666 50 0 IHAAMN CC1CCC(NC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)CC1 ZINC000002973736 569433449 /nfs/dbraw/zinc/43/34/49/569433449.db2.gz YYNCTGWZJXNDAJ-UHFFFAOYSA-N 0 1 438.391 3.923 50 0 IHAAMN CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CC=C(c3ccccc3)CC2)C1C(=O)OC ZINC000057415699 569434176 /nfs/dbraw/zinc/43/41/76/569434176.db2.gz XQTSTYMBKOIACG-XMMPIXPASA-N 0 1 447.535 3.656 50 0 IHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)c(OC)c1 ZINC000057477169 569435819 /nfs/dbraw/zinc/43/58/19/569435819.db2.gz VREWBAIIJYWWCM-UHFFFAOYSA-N 0 1 426.904 3.710 50 0 IHAAMN Cn1c(SCC(=O)Nc2cccc(CN3CCSCC3)c2)nnc1-c1cccs1 ZINC000058438706 569454767 /nfs/dbraw/zinc/45/47/67/569454767.db2.gz ZDQJHNUIOKTLPR-UHFFFAOYSA-N 0 1 445.639 3.823 50 0 IHAAMN COc1ccccc1-c1cc(C(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)n[nH]1 ZINC000066327988 569462085 /nfs/dbraw/zinc/46/20/85/569462085.db2.gz VOTNKFYGTUYDTN-UHFFFAOYSA-N 0 1 429.524 3.535 50 0 IHAAMN O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000038486343 569462711 /nfs/dbraw/zinc/46/27/11/569462711.db2.gz VKWFKVOYZFGXKF-UHFFFAOYSA-N 0 1 444.470 3.762 50 0 IHAAMN O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008864273 569480213 /nfs/dbraw/zinc/48/02/13/569480213.db2.gz NZYRLRIWNJSPPQ-MRXNPFEDSA-N 0 1 427.448 3.539 50 0 IHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCCO2 ZINC000008879609 569481390 /nfs/dbraw/zinc/48/13/90/569481390.db2.gz DHCIEUSCHKFCEO-UHFFFAOYSA-N 0 1 445.427 3.954 50 0 biogenic IHAAMN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000040052526 569484520 /nfs/dbraw/zinc/48/45/20/569484520.db2.gz BHKZXCPTXTXMAE-UHFFFAOYSA-N 0 1 426.542 3.862 50 0 IHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000040144789 569492026 /nfs/dbraw/zinc/49/20/26/569492026.db2.gz MPJILXFYSXTOHC-UHFFFAOYSA-N 0 1 426.524 3.709 50 0 IHAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2F)c1 ZINC000040284835 569498030 /nfs/dbraw/zinc/49/80/30/569498030.db2.gz AHKFQSQVYSIKIF-FQEVSTJZSA-N 0 1 426.423 3.963 50 0 IHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(OC(C)C)c2)N(CCN(C)C)C1=O ZINC000009058878 569499248 /nfs/dbraw/zinc/49/92/48/569499248.db2.gz HCLYJSIJYUFXFQ-QFIPXVFZSA-N 0 1 436.508 3.696 50 0 IHAAMN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352407 569502215 /nfs/dbraw/zinc/50/22/15/569502215.db2.gz HPLOVMKAUMESAU-BBRMVZONSA-N 0 1 425.476 3.539 50 0 IHAAMN CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366571 569502484 /nfs/dbraw/zinc/50/24/84/569502484.db2.gz DJSOGJVFSWXGMX-KXBFYZLASA-N 0 1 437.437 3.617 50 0 IHAAMN Cc1cccc(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)C[C@@H]2C)c1 ZINC000245312999 569503080 /nfs/dbraw/zinc/50/30/80/569503080.db2.gz YVBYTYWPSWCLGU-TUACAJSNSA-N 0 1 427.614 3.795 50 0 IHAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(F)cc3)c(Br)cc2C[C@H]1C ZINC000040450726 569506444 /nfs/dbraw/zinc/50/64/44/569506444.db2.gz PVGCJPNJUUJGNE-SNVBAGLBSA-N 0 1 427.295 3.687 50 0 IHAAMN CCN1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc2OCC(C)(C)C1=O ZINC000009166339 569508853 /nfs/dbraw/zinc/50/88/53/569508853.db2.gz ZWUQDKODQCBMAK-UHFFFAOYSA-N 0 1 432.542 3.884 50 0 IHAAMN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 ZINC000009244408 569515031 /nfs/dbraw/zinc/51/50/31/569515031.db2.gz MQOZARHMCUATMQ-KRWDZBQOSA-N 0 1 447.626 3.521 50 0 IHAAMN Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)c1 ZINC000009451104 569536313 /nfs/dbraw/zinc/53/63/13/569536313.db2.gz WEODXHHGVPPKOZ-UHFFFAOYSA-N 0 1 439.932 3.742 50 0 IHAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)[C@@H]3COc4ccccc4O3)nc21 ZINC000009452422 569536557 /nfs/dbraw/zinc/53/65/57/569536557.db2.gz XFIFGZBABGZVMD-KRWDZBQOSA-N 0 1 447.944 3.693 50 0 IHAAMN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000009541291 569545916 /nfs/dbraw/zinc/54/59/16/569545916.db2.gz WMLGIVPAZBJYJU-UHFFFAOYSA-N 0 1 439.932 3.742 50 0 IHAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1Cl ZINC000009585191 569549514 /nfs/dbraw/zinc/54/95/14/569549514.db2.gz UCNWULGEPDYZOU-UHFFFAOYSA-N 0 1 440.949 3.852 50 0 IHAAMN COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CN2CCCCCC2)cc1=O ZINC000009622102 569553507 /nfs/dbraw/zinc/55/35/07/569553507.db2.gz SDKDGEXVNDZMRK-UHFFFAOYSA-N 0 1 437.462 3.890 50 0 IHAAMN COCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000009674153 569559093 /nfs/dbraw/zinc/55/90/93/569559093.db2.gz LXBXJYOVVSQFRI-UHFFFAOYSA-N 0 1 427.526 3.616 50 0 IHAAMN Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000009919609 569573453 /nfs/dbraw/zinc/57/34/53/569573453.db2.gz JTEMHHVCOVVDOQ-UHFFFAOYSA-N 0 1 429.586 3.648 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030602 569577305 /nfs/dbraw/zinc/57/73/05/569577305.db2.gz OHJQYKSUYUVEEP-UYAOXDASSA-N 0 1 429.948 3.739 50 0 IHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(OC(C)C)cc2)N(CCN(C)C)C1=O ZINC000010233190 569579461 /nfs/dbraw/zinc/57/94/61/569579461.db2.gz LYCPCYIRSRPVEB-JOCHJYFZSA-N 0 1 436.508 3.696 50 0 IHAAMN COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1OC ZINC000010233110 569579486 /nfs/dbraw/zinc/57/94/86/569579486.db2.gz RDSHIZOGBXRTCI-JOCHJYFZSA-N 0 1 436.508 3.534 50 0 IHAAMN CCc1ccccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(OC)cc2)n1 ZINC000022735382 569584806 /nfs/dbraw/zinc/58/48/06/569584806.db2.gz MZODFAQVRSIPJT-UHFFFAOYSA-N 0 1 431.539 3.696 50 0 IHAAMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cn(C)c2ccccc12 ZINC000077171698 569585819 /nfs/dbraw/zinc/58/58/19/569585819.db2.gz KOHXHKGAOLNALP-HNNXBMFYSA-N 0 1 442.404 3.584 50 0 IHAAMN O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(C3CCCC3)CC1)C2)N1CCCCCC1 ZINC000065273158 569588251 /nfs/dbraw/zinc/58/82/51/569588251.db2.gz VPBKTPNOYNIIOP-IBGZPJMESA-N 0 1 443.657 3.956 50 0 IHAAMN CCn1c2ccccc2c2nnc(NCCN3CCN(c4cccc(C)c4C)CC3)nc21 ZINC000006781688 132278914 /nfs/dbraw/zinc/27/89/14/132278914.db2.gz YVHBDAAZAANLEW-UHFFFAOYSA-N 0 1 429.572 3.850 50 0 IHAAMN CCCOc1c(Br)cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1OC ZINC000012535125 520293137 /nfs/dbraw/zinc/29/31/37/520293137.db2.gz NZQKYAZZGIWKRX-QGZVFWFLSA-N 0 1 430.306 3.693 50 0 IHAAMN CCCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 ZINC000012508130 520754952 /nfs/dbraw/zinc/75/49/52/520754952.db2.gz WWDZEMSIJQDRST-UHFFFAOYSA-N 0 1 448.585 3.995 50 0 IHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012557270 520865432 /nfs/dbraw/zinc/86/54/32/520865432.db2.gz XFOLYCFIVZRNFR-UHFFFAOYSA-N 0 1 439.331 3.541 50 0 IHAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 ZINC000021698575 522068315 /nfs/dbraw/zinc/06/83/15/522068315.db2.gz LMDZYEUTBIOQCY-LJQANCHMSA-N 0 1 432.446 3.555 50 0 IHAAMN COC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000012525976 522243330 /nfs/dbraw/zinc/24/33/30/522243330.db2.gz VKACZHRTRTVNLV-UHFFFAOYSA-N 0 1 449.120 3.799 50 0 IHAAMN COC(=O)c1sc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C(=O)OC)c1C ZINC000012549265 522427700 /nfs/dbraw/zinc/42/77/00/522427700.db2.gz XRBAKOZSIUDCKU-UHFFFAOYSA-N 0 1 438.310 3.737 50 0 IHAAMN COC[C@H]1CCCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000020866631 522822643 /nfs/dbraw/zinc/82/26/43/522822643.db2.gz QIXPSAFYGQGRMP-JOCHJYFZSA-N 0 1 434.584 3.958 50 0 IHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N3)cc1 ZINC000020715463 523235008 /nfs/dbraw/zinc/23/50/08/523235008.db2.gz IRKMAHAJCUOHKQ-HNNXBMFYSA-N 0 1 432.267 3.783 50 0 IHAAMN CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C ZINC000012449211 523644733 /nfs/dbraw/zinc/64/47/33/523644733.db2.gz PEFWBBWWYOWQTH-UHFFFAOYSA-N 0 1 447.583 3.888 50 0 IHAAMN CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1C(=O)NCc1ccco1 ZINC000012623548 523840535 /nfs/dbraw/zinc/84/05/35/523840535.db2.gz XOEIRNCOSMYCLH-UHFFFAOYSA-N 0 1 447.520 3.750 50 0 IHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000017026593 523850771 /nfs/dbraw/zinc/85/07/71/523850771.db2.gz ZGPDWILHVFLEDV-UHFFFAOYSA-N 0 1 426.494 3.990 50 0 IHAAMN CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC2CCCC2)CC1 ZINC000020600016 523908332 /nfs/dbraw/zinc/90/83/32/523908332.db2.gz RWJRIUNMMIAYBT-UHFFFAOYSA-N 0 1 425.548 3.678 50 0 IHAAMN COCCNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(C)cc1C ZINC000012246467 523914781 /nfs/dbraw/zinc/91/47/81/523914781.db2.gz GKEDOGLMLILMPF-UGKGYDQZSA-N 0 1 438.597 3.678 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000020728920 524228861 /nfs/dbraw/zinc/22/88/61/524228861.db2.gz ZNZHUHNCLOPJHM-CQSZACIVSA-N 0 1 432.267 3.783 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1C ZINC000012750525 524640660 /nfs/dbraw/zinc/64/06/60/524640660.db2.gz IHRXLIXDUIKOSN-UHFFFAOYSA-N 0 1 436.493 3.933 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 ZINC000012532549 524646728 /nfs/dbraw/zinc/64/67/28/524646728.db2.gz YYRPVGMPQDPXBH-UHFFFAOYSA-N 0 1 425.510 3.814 50 0 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BGSGOOXGCUTSNH-UHFFFAOYSA-N 0 1 447.514 3.922 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(OC(C)C)c2)CC1 ZINC000004711728 132272955 /nfs/dbraw/zinc/27/29/55/132272955.db2.gz XEUVHORZGJLSMJ-UHFFFAOYSA-N 0 1 425.529 3.655 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000004711726 132273008 /nfs/dbraw/zinc/27/30/08/132273008.db2.gz PCHIEMDPJZRVJZ-UHFFFAOYSA-N 0 1 425.529 3.655 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008617254 132288831 /nfs/dbraw/zinc/28/88/31/132288831.db2.gz GXQFVAKHYUHOSY-UHFFFAOYSA-N 0 1 431.924 3.705 50 0 IHAAMN Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000009245103 132310402 /nfs/dbraw/zinc/31/04/02/132310402.db2.gz FGWNMWIAKGLFFK-HXUWFJFHSA-N 0 1 428.286 3.860 50 0 IHAAMN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000012558251 519481490 /nfs/dbraw/zinc/48/14/90/519481490.db2.gz HBMVPHMXYNLFKA-QHCPKHFHSA-N 0 1 438.959 3.995 50 0 IHAAMN CC(C)N1CCN(C(=O)CCc2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000033283666 519678608 /nfs/dbraw/zinc/67/86/08/519678608.db2.gz KJXRSVXSXKMWDS-UHFFFAOYSA-N 0 1 425.577 3.602 50 0 IHAAMN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560246 520508128 /nfs/dbraw/zinc/50/81/28/520508128.db2.gz HMZWSPULHLGIOR-XMMPIXPASA-N 0 1 431.536 3.955 50 0 IHAAMN CCOC(=O)C1C(CN2CCCc3cc(F)cc(F)c32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000036754249 520511223 /nfs/dbraw/zinc/51/12/23/520511223.db2.gz MDMKFNKQMPWEIM-HXUWFJFHSA-N 0 1 427.451 3.589 50 0 IHAAMN CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 ZINC000012180438 520525497 /nfs/dbraw/zinc/52/54/97/520525497.db2.gz PAPDEZOEGHRGFT-UHFFFAOYSA-N 0 1 428.963 3.633 50 0 IHAAMN CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)c2ccccc2OC)c1CC ZINC000012602606 521544779 /nfs/dbraw/zinc/54/47/79/521544779.db2.gz MUCYDVHCMKMEMY-UHFFFAOYSA-N 0 1 434.492 3.872 50 0 IHAAMN CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871439 521747094 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C[C@H](Cc1cccnc1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012437598 524742507 /nfs/dbraw/zinc/74/25/07/524742507.db2.gz VFNNUMFQZZHJKT-HXUWFJFHSA-N 0 1 430.552 3.881 50 0 IHAAMN Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c(C)c1 ZINC000070686472 524964356 /nfs/dbraw/zinc/96/43/56/524964356.db2.gz SVKLPRDZURGQKV-STVSDHCOSA-N 0 1 438.612 3.710 50 0 IHAAMN COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCCCC2)cc1 ZINC000012911278 525188494 /nfs/dbraw/zinc/18/84/94/525188494.db2.gz AQXIJHMJPNCONF-XMMPIXPASA-N 0 1 435.568 3.775 50 0 IHAAMN Cc1cc2nc(COc3cc(C)ccc3NS(=O)(=O)c3ccc(C)cc3)cc(=O)n2o1 ZINC000041089517 525672430 /nfs/dbraw/zinc/67/24/30/525672430.db2.gz KCAFEWUNCHTIPU-UHFFFAOYSA-N 0 1 439.493 3.593 50 0 IHAAMN Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cnc(N3CCOCC3)s2)c1 ZINC000012592608 526305578 /nfs/dbraw/zinc/30/55/78/526305578.db2.gz MKSIRQJYWLSEEK-IBGZPJMESA-N 0 1 431.512 3.611 50 0 IHAAMN 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CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000006088655 556075506 /nfs/dbraw/zinc/07/55/06/556075506.db2.gz NAAXUAVLJVVTJO-FQEVSTJZSA-N 0 1 440.525 3.690 50 0 IHAAMN CCOC(=O)N[C@](Nc1nc2ccc(OCC)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000013756345 556300874 /nfs/dbraw/zinc/30/08/74/556300874.db2.gz ZHZBBMLWTPTIMU-MRXNPFEDSA-N 0 1 435.424 3.675 50 0 IHAAMN Cc1nnc(SCC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1Cc1ccccc1 ZINC000032761626 556331600 /nfs/dbraw/zinc/33/16/00/556331600.db2.gz DNLKELHECBNPIC-IBGZPJMESA-N 0 1 441.626 3.742 50 0 IHAAMN CC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000013941999 556338979 /nfs/dbraw/zinc/33/89/79/556338979.db2.gz POKLODGOTNWIRC-UHFFFAOYSA-N 0 1 447.314 3.873 50 0 IHAAMN COc1cc(CN2CCC(C(=O)NCc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000013943032 556340709 /nfs/dbraw/zinc/34/07/09/556340709.db2.gz VLEUGTOKOLUCKC-UHFFFAOYSA-N 0 1 432.948 3.894 50 0 IHAAMN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC000011789913 556355338 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CC[C@@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000009190186 569510508 /nfs/dbraw/zinc/51/05/08/569510508.db2.gz OZKZVDPDKYZYGA-QGZVFWFLSA-N 0 1 430.555 3.542 50 0 IHAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000009228202 569513592 /nfs/dbraw/zinc/51/35/92/569513592.db2.gz PRXZZYPIWZSNRP-UHFFFAOYSA-N 0 1 429.336 3.690 50 0 IHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000009408905 569530754 /nfs/dbraw/zinc/53/07/54/569530754.db2.gz YKHSCQXPXAHAPH-UPCLLVRISA-N 0 1 449.507 3.914 50 0 IHAAMN CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1OC ZINC000009409281 569531004 /nfs/dbraw/zinc/53/10/04/569531004.db2.gz FDCHKTAISOZCLH-HSZRJFAPSA-N 0 1 437.496 3.507 50 0 IHAAMN Cc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009490039 569540138 /nfs/dbraw/zinc/54/01/38/569540138.db2.gz QVUVMVNEDNVUHN-UHFFFAOYSA-N 0 1 425.901 3.801 50 0 IHAAMN COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCCCC2)cc1 ZINC000009593842 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/nfs/dbraw/zinc/45/76/42/520457642.db2.gz NSYLNKXOOHEMIS-UHFFFAOYSA-N 0 1 427.541 3.672 50 0 IHAAMN CCOc1cc2c(cc1CNC(=O)CSc1nc(-c3cccs3)n[nH]1)O[C@H](C)C2 ZINC000012617272 520790623 /nfs/dbraw/zinc/79/06/23/520790623.db2.gz BNXQGTXGENLJSA-GFCCVEGCSA-N 0 1 430.555 3.664 50 0 IHAAMN CCC(CC)[C@H](CNC(=O)CCn1c(=S)[nH]nc1-c1cccc(C)c1)N1CCOCC1 ZINC000022898878 521617155 /nfs/dbraw/zinc/61/71/55/521617155.db2.gz SPWQZXABBFNIPG-FQEVSTJZSA-N 0 1 445.633 3.559 50 0 IHAAMN CN(C)[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 ZINC000012911335 522084427 /nfs/dbraw/zinc/08/44/27/522084427.db2.gz QBTDOTAQCIAHRN-HSZRJFAPSA-N 0 1 445.494 3.655 50 0 IHAAMN COCC1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000012317465 522936591 /nfs/dbraw/zinc/93/65/91/522936591.db2.gz QXLQSDXYGJXBRE-UHFFFAOYSA-N 0 1 434.584 3.816 50 0 IHAAMN CCn1ccnc1CN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012300614 523526490 /nfs/dbraw/zinc/52/64/90/523526490.db2.gz MQWOHUJPWHTIFC-UHFFFAOYSA-N 0 1 433.556 3.614 50 0 IHAAMN CCc1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCC2)cc1 ZINC000035671570 524051247 /nfs/dbraw/zinc/05/12/47/524051247.db2.gz GPDURFMIQAYBHW-INIZCTEOSA-N 0 1 440.594 3.902 50 0 IHAAMN C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748787 524230679 /nfs/dbraw/zinc/23/06/79/524230679.db2.gz CTJBXMPRJPAZOQ-HTAPYJJXSA-N 0 1 449.551 3.648 50 0 IHAAMN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C(C)C)c1 ZINC000020677930 524721630 /nfs/dbraw/zinc/72/16/30/524721630.db2.gz LCNNQTAYSSZLHE-UHFFFAOYSA-N 0 1 435.572 3.691 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2OC)cc1OC ZINC000012871461 525078378 /nfs/dbraw/zinc/07/83/78/525078378.db2.gz ICFYRFBUVMKXPQ-UHFFFAOYSA-N 0 1 436.711 3.929 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(OC)c1 ZINC000013006617 525085632 /nfs/dbraw/zinc/08/56/32/525085632.db2.gz AHAXBBPOLMVKQS-UHFFFAOYSA-N 0 1 440.477 3.887 50 0 IHAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000034830304 525397144 /nfs/dbraw/zinc/39/71/44/525397144.db2.gz QYKQPLCFEQLYNZ-WMZHIEFXSA-N 0 1 439.625 3.719 50 0 IHAAMN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000014867671 525638795 /nfs/dbraw/zinc/63/87/95/525638795.db2.gz VCULLSFZRPZTDJ-UHFFFAOYSA-N 0 1 438.752 3.615 50 0 IHAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NCc3ccco3)[nH]c2c1 ZINC000012559523 525680033 /nfs/dbraw/zinc/68/00/33/525680033.db2.gz WTKYABFKHNZCNR-UHFFFAOYSA-N 0 1 436.493 3.825 50 0 IHAAMN Fc1ccccc1N1CCN([C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)CC1 ZINC000020514956 526414164 /nfs/dbraw/zinc/41/41/64/526414164.db2.gz IKYNYHFYNFKVDH-LJQANCHMSA-N 0 1 425.577 3.860 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035895222 526690916 /nfs/dbraw/zinc/69/09/16/526690916.db2.gz TYBYAPIGYJYMEO-MYZZLAAOSA-N 0 1 447.293 3.968 50 0 IHAAMN O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1OC(F)(F)F ZINC000012328512 526749482 /nfs/dbraw/zinc/74/94/82/526749482.db2.gz MCCXYWWLAAZWBX-QGZVFWFLSA-N 0 1 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555547495 /nfs/dbraw/zinc/54/74/95/555547495.db2.gz PATKTUGDTOWKCL-UHFFFAOYSA-N 0 1 446.916 3.565 50 0 IHAAMN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1C(C)C ZINC000000726287 555551316 /nfs/dbraw/zinc/55/13/16/555551316.db2.gz KWGGBWIIVFDRLB-UHFFFAOYSA-N 0 1 440.525 3.727 50 0 IHAAMN COc1ccccc1C(=O)NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000009454399 555573554 /nfs/dbraw/zinc/57/35/54/555573554.db2.gz RGPKKFIUNGHIGU-QGOAFFKASA-N 0 1 439.464 3.936 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)[nH]c2=O)c1 ZINC000002693291 555799740 /nfs/dbraw/zinc/79/97/40/555799740.db2.gz XLGBOWFDSQUGAR-UHFFFAOYSA-N 0 1 447.513 3.502 50 0 IHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000002699248 555800178 /nfs/dbraw/zinc/80/01/78/555800178.db2.gz OZEKPBWKZVOEPJ-UHFFFAOYSA-N 0 1 449.941 3.708 50 0 IHAAMN CCCC(=O)N1CCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830293 555911688 /nfs/dbraw/zinc/91/16/88/555911688.db2.gz RJARQQYINIACDN-CYFREDJKSA-N 0 1 439.625 3.863 50 0 IHAAMN CCCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1 ZINC000034831350 555912729 /nfs/dbraw/zinc/91/27/29/555912729.db2.gz DZLAIMWKRBAMMF-UHFFFAOYSA-N 0 1 426.609 3.654 50 0 IHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)cc1 ZINC000006480567 556090667 /nfs/dbraw/zinc/09/06/67/556090667.db2.gz VBFFFCVQRSHQKM-UHFFFAOYSA-N 0 1 428.304 3.744 50 0 IHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)Cc1ccccc1OC ZINC000011768982 556349667 /nfs/dbraw/zinc/34/96/67/556349667.db2.gz CMEADWSDHRLMPE-UHFFFAOYSA-N 0 1 428.548 3.764 50 0 IHAAMN COc1ccccc1CCNC(=O)[C@H]1CC12CCN(Cc1ccc(F)c(OC)c1)CC2 ZINC000011910026 556374708 /nfs/dbraw/zinc/37/47/08/556374708.db2.gz FLQMIICJJLACFJ-HXUWFJFHSA-N 0 1 426.532 3.804 50 0 IHAAMN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2cc(CC(C)C)[nH]n2)CC1 ZINC000011935171 556378017 /nfs/dbraw/zinc/37/80/17/556378017.db2.gz LQPFIGXNFRFFRV-UHFFFAOYSA-N 0 1 426.561 3.552 50 0 IHAAMN CCc1cc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n(C)n1 ZINC000012005505 556386598 /nfs/dbraw/zinc/38/65/98/556386598.db2.gz HEOSPZJHDXIMMD-JOCHJYFZSA-N 0 1 442.579 3.655 50 0 IHAAMN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000014245835 556405731 /nfs/dbraw/zinc/40/57/31/556405731.db2.gz VJJHIFMOTDBWOI-HSZRJFAPSA-N 0 1 431.561 3.987 50 0 IHAAMN COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4cccnc4)CC3)C2=O)cc1 ZINC000014746715 556441466 /nfs/dbraw/zinc/44/14/66/556441466.db2.gz QJKXRYSHKFMVOU-UHFFFAOYSA-N 0 1 436.556 3.545 50 0 IHAAMN Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1C ZINC000014870112 556452175 /nfs/dbraw/zinc/45/21/75/556452175.db2.gz MMSIPHDGIUZZRD-UHFFFAOYSA-N 0 1 437.370 3.661 50 0 IHAAMN Nc1nn(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=S)n1Nc1ccncc1 ZINC000028535049 556456359 /nfs/dbraw/zinc/45/63/59/556456359.db2.gz YGJHRVREUVUMRD-UHFFFAOYSA-N 0 1 428.827 3.822 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000013096781 556457560 /nfs/dbraw/zinc/45/75/60/556457560.db2.gz FKLWGJHZWRAXCY-QHCPKHFHSA-N 0 1 437.565 3.829 50 0 IHAAMN O=c1c2c3c(sc2ncn1Cc1ccccc1Cl)C[C@@H](NCc1ccon1)CC3 ZINC000015070422 556495265 /nfs/dbraw/zinc/49/52/65/556495265.db2.gz OXWCWFOOQKQDIL-AWEZNQCLSA-N 0 1 426.929 3.795 50 0 IHAAMN O=C(Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1 ZINC000030580884 556498410 /nfs/dbraw/zinc/49/84/10/556498410.db2.gz QSWWAGSFOORFLC-UHFFFAOYSA-N 0 1 441.896 3.888 50 0 IHAAMN COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)C(C)(C)C)cc1 ZINC000016038901 556578053 /nfs/dbraw/zinc/57/80/53/556578053.db2.gz RBXHDMQFILOTPL-CBPXPLCBSA-N 0 1 430.504 3.826 50 0 IHAAMN CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)[C@@H]1CCN(C)C1 ZINC000034921965 556586597 /nfs/dbraw/zinc/58/65/97/556586597.db2.gz VIWKYYRUYWTUFW-MRXNPFEDSA-N 0 1 449.486 3.531 50 0 IHAAMN C[C@@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000032916437 556615265 /nfs/dbraw/zinc/61/52/65/556615265.db2.gz BZLXSZHACGLEBH-KRWDZBQOSA-N 0 1 441.519 3.585 50 0 IHAAMN O=S(=O)(c1ccc(Br)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017103263 556667627 /nfs/dbraw/zinc/66/76/27/556667627.db2.gz ITTRFDOGOCJNCK-UHFFFAOYSA-N 0 1 439.419 3.724 50 0 IHAAMN Clc1ccc(OCCN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000054290489 556730204 /nfs/dbraw/zinc/73/02/04/556730204.db2.gz QXQLAVSINLJPCT-UHFFFAOYSA-N 0 1 434.931 3.670 50 0 IHAAMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccc2F)CC1 ZINC000019317242 556735861 /nfs/dbraw/zinc/73/58/61/556735861.db2.gz GQLQANXHHGLQID-UHFFFAOYSA-N 0 1 445.951 3.701 50 0 IHAAMN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000019317254 556736117 /nfs/dbraw/zinc/73/61/17/556736117.db2.gz NZFIJMBHFYGWFP-GOSISDBHSA-N 0 1 427.961 3.608 50 0 IHAAMN COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000061999527 556764043 /nfs/dbraw/zinc/76/40/43/556764043.db2.gz HRLOHOFQOKEEDX-ORHBMQHOSA-N 0 1 445.972 3.866 50 0 biogenic IHAAMN COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000065365911 556836156 /nfs/dbraw/zinc/83/61/56/556836156.db2.gz DKFYYCMUUSALNK-UHFFFAOYSA-N 0 1 439.907 3.631 50 0 IHAAMN O=C(NCc1cccc(F)c1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071376 556851807 /nfs/dbraw/zinc/85/18/07/556851807.db2.gz JICGPPUYQNMEAK-CQSZACIVSA-N 0 1 431.309 3.997 50 0 IHAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000008977181 556852208 /nfs/dbraw/zinc/85/22/08/556852208.db2.gz RMGMBXUNQNUERH-UHFFFAOYSA-N 0 1 426.494 3.596 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1 ZINC000033171393 556882416 /nfs/dbraw/zinc/88/24/16/556882416.db2.gz JBDRBNKXOSFSEM-UHFFFAOYSA-N 0 1 438.509 3.831 50 0 IHAAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(OC)c(Cn4cncn4)c3)C2)cc1F ZINC000019837333 556928410 /nfs/dbraw/zinc/92/84/10/556928410.db2.gz ADYKQLXREFYNAN-LJQANCHMSA-N 0 1 438.503 3.578 50 0 IHAAMN Cc1cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086399 556997346 /nfs/dbraw/zinc/99/73/46/556997346.db2.gz FATXIGPOXWFLNW-DEOSSOPVSA-N 0 1 437.971 3.901 50 0 IHAAMN COc1cc([C@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000023157991 557030863 /nfs/dbraw/zinc/03/08/63/557030863.db2.gz IAPCCGCKECZCOG-FHSNZYRGSA-N 0 1 446.573 3.898 50 0 IHAAMN CCN(CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc(OC)c1 ZINC000023074855 557061802 /nfs/dbraw/zinc/06/18/02/557061802.db2.gz DSOCXWJSUIBEAE-HSZRJFAPSA-N 0 1 448.567 3.880 50 0 IHAAMN COc1cc(Br)c(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000048340970 557070552 /nfs/dbraw/zinc/07/05/52/557070552.db2.gz ZHLZTIZEJSZTOX-LBPRGKRZSA-N 0 1 443.363 3.689 50 0 IHAAMN Cc1ccc(CN2CCCN(C(=O)CCN3C(=S)N=NC3c3cccs3)CC2)cc1 ZINC000023243414 557077747 /nfs/dbraw/zinc/07/77/47/557077747.db2.gz FSTRWZOULXNADW-UHFFFAOYSA-N 0 1 441.626 3.728 50 0 IHAAMN CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(C5CCCCC5)CC4)n3)cc2)no1 ZINC000049408741 557103760 /nfs/dbraw/zinc/10/37/60/557103760.db2.gz DPBCBBPNIGIEHB-UHFFFAOYSA-N 0 1 434.544 3.575 50 0 IHAAMN Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000409415084 557110080 /nfs/dbraw/zinc/11/00/80/557110080.db2.gz SSSDFYLODJMLTF-UHFFFAOYSA-N 0 1 436.508 3.853 50 0 biogenic IHAAMN O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000023865821 557121242 /nfs/dbraw/zinc/12/12/42/557121242.db2.gz QVHPZVZSGCLWLW-UHFFFAOYSA-N 0 1 431.536 3.629 50 0 IHAAMN Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000023948339 557126949 /nfs/dbraw/zinc/12/69/49/557126949.db2.gz WLGMREMXIXQFAD-QHCPKHFHSA-N 0 1 434.521 3.707 50 0 IHAAMN Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)cc1 ZINC000011422673 557146112 /nfs/dbraw/zinc/14/61/12/557146112.db2.gz MUCQFMGNVYYNKQ-UHFFFAOYSA-N 0 1 429.586 3.835 50 0 IHAAMN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC000025036894 557190018 /nfs/dbraw/zinc/19/00/18/557190018.db2.gz OVUBRSQLPSWVLX-HSZRJFAPSA-N 0 1 448.548 3.689 50 0 IHAAMN CC(=O)CCc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000025638271 557220370 /nfs/dbraw/zinc/22/03/70/557220370.db2.gz SDIARYLNUJEAQG-JOCHJYFZSA-N 0 1 430.976 3.732 50 0 IHAAMN C[C@@H](NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000014112733 557305207 /nfs/dbraw/zinc/30/52/07/557305207.db2.gz ORVOVTKMDFDFNB-JPYJTQIMSA-N 0 1 432.630 3.564 50 0 IHAAMN CCN1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478425 557363605 /nfs/dbraw/zinc/36/36/05/557363605.db2.gz XMGUXSJULBIRLU-RUZDIDTESA-N 0 1 435.543 3.777 50 0 IHAAMN Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000014870102 557514497 /nfs/dbraw/zinc/51/44/97/557514497.db2.gz OXQTWNCTXTYRHZ-UHFFFAOYSA-N 0 1 437.370 3.661 50 0 IHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000106535190 557529937 /nfs/dbraw/zinc/52/99/37/557529937.db2.gz UOUDTJKJGXFWJA-ZDQHKECQSA-N 0 1 449.938 3.696 50 0 IHAAMN CC(C)Sc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1)n(C)c(=O)n2C ZINC000045941033 557549476 /nfs/dbraw/zinc/54/94/76/557549476.db2.gz JHFYZXVIEPRAEK-UHFFFAOYSA-N 0 1 425.963 3.832 50 0 IHAAMN CCc1c(C)sc2nc3n(CCN(C)C)nc(SCc4ccccc4)n3c(=O)c12 ZINC000040288032 557716436 /nfs/dbraw/zinc/71/64/36/557716436.db2.gz MSEUAJVLGTZLPW-UHFFFAOYSA-N 0 1 427.599 3.830 50 0 IHAAMN COc1ccc([C@@H](CNC(=O)[C@@H](C)n2ccc3ccccc3c2=O)N2CCCCC2)cc1 ZINC000225747573 557772488 /nfs/dbraw/zinc/77/24/88/557772488.db2.gz XFVOTQLUMXBOJM-NTKDMRAZSA-N 0 1 433.552 3.915 50 0 IHAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)C[C@@H](C)O1 ZINC000229580008 557832852 /nfs/dbraw/zinc/83/28/52/557832852.db2.gz FLDPUDIBDQLUPU-PWHSHALESA-N 0 1 435.568 3.503 50 0 IHAAMN O=C(OCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000004001739 562940633 /nfs/dbraw/zinc/94/06/33/562940633.db2.gz HFEGLUYENROKRX-UHFFFAOYSA-N 0 1 431.491 3.677 50 0 aggregator IHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006498459 562946891 /nfs/dbraw/zinc/94/68/91/562946891.db2.gz SIUKICZKDVMRTC-UHFFFAOYSA-N 0 1 440.456 3.769 50 0 IHAAMN Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]n2)c1 ZINC000009243143 562968421 /nfs/dbraw/zinc/96/84/21/562968421.db2.gz MVLUYKGPNIIXFJ-UHFFFAOYSA-N 0 1 440.525 3.518 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984775 568623440 /nfs/dbraw/zinc/62/34/40/568623440.db2.gz CGQFKFQAFUSAAF-JTHBVZDNSA-N 0 1 430.520 3.615 50 0 IHAAMN O=C(Nc1ccncc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006140204 568845202 /nfs/dbraw/zinc/84/52/02/568845202.db2.gz QVQNWPLOSIFNAC-UHFFFAOYSA-N 0 1 432.299 3.897 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)n1 ZINC000001771861 568906159 /nfs/dbraw/zinc/90/61/59/568906159.db2.gz QHVXOMVOHVFUEL-UHFFFAOYSA-N 0 1 439.522 3.756 50 0 IHAAMN COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3cnc[nH]3)Cc3ccccc3)c(=O)oc2c1 ZINC000089568294 568937706 /nfs/dbraw/zinc/93/77/06/568937706.db2.gz WCYSFFOHDFRCAB-IBGZPJMESA-N 0 1 445.519 3.736 50 0 IHAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147209 568962330 /nfs/dbraw/zinc/96/23/30/568962330.db2.gz ATMVDXRQDKRHPM-LADGPHEKSA-N 0 1 438.499 3.992 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COCC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146493 568962814 /nfs/dbraw/zinc/96/28/14/568962814.db2.gz VSUOEWAHGMWLOZ-UPVQGACJSA-N 0 1 426.557 3.724 50 0 IHAAMN CC(C)(C)OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCCC1 ZINC000036159090 568967072 /nfs/dbraw/zinc/96/70/72/568967072.db2.gz TYPHSFAJXHZIPH-INIZCTEOSA-N 0 1 433.618 3.784 50 0 IHAAMN COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036306226 568995439 /nfs/dbraw/zinc/99/54/39/568995439.db2.gz QKMVTOWVIVRSKR-FQEVSTJZSA-N 0 1 437.540 3.860 50 0 IHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000064952115 568997305 /nfs/dbraw/zinc/99/73/05/568997305.db2.gz RKWWRNCILQBSAA-UHFFFAOYSA-N 0 1 426.947 3.998 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000036345678 569080949 /nfs/dbraw/zinc/08/09/49/569080949.db2.gz BXNNHFZADKCKPV-RUZDIDTESA-N 0 1 434.584 3.627 50 0 IHAAMN C[C@@H]1CCCCN1CCNC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000771 569086069 /nfs/dbraw/zinc/08/60/69/569086069.db2.gz XLTBPVLDQVRPLZ-GOSISDBHSA-N 0 1 435.568 3.597 50 0 IHAAMN CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000036360669 569086558 /nfs/dbraw/zinc/08/65/58/569086558.db2.gz ABXSRYKYJSVDIY-NRFANRHFSA-N 0 1 440.569 3.767 50 0 IHAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065021040 569088670 /nfs/dbraw/zinc/08/86/70/569088670.db2.gz JAYHSCVJOHTZAT-UHFFFAOYSA-N 0 1 432.542 3.785 50 0 IHAAMN COc1cccc(NC(=O)C[C@@H](c2ccc(OC)c(O)c2)c2c(O)cc(C)oc2=O)c1 ZINC000253471631 569094757 /nfs/dbraw/zinc/09/47/57/569094757.db2.gz WLNWQFBTYJLYEM-KRWDZBQOSA-N 0 1 425.437 3.537 50 0 IHAAMN O=C(N[C@@H](c1nn[nH]n1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 ZINC000065552477 569139689 /nfs/dbraw/zinc/13/96/89/569139689.db2.gz NCOOGLAYUUNVPC-OAHLLOKOSA-N 0 1 432.843 3.774 50 0 IHAAMN 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ZINC000036080274 568946489 /nfs/dbraw/zinc/94/64/89/568946489.db2.gz SRTWTMFXDMCYKT-JKSBSHDWSA-N 0 1 429.561 3.623 50 0 IHAAMN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)cc1 ZINC000036102314 568952750 /nfs/dbraw/zinc/95/27/50/568952750.db2.gz HYORCFXROVBZTJ-FQEVSTJZSA-N 0 1 425.481 3.597 50 0 IHAAMN CC(C)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1 ZINC000036156542 568965457 /nfs/dbraw/zinc/96/54/57/568965457.db2.gz VKIHUHIZZGHJTG-SFHVURJKSA-N 0 1 425.598 3.925 50 0 IHAAMN CCC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680295 568990828 /nfs/dbraw/zinc/99/08/28/568990828.db2.gz WSCHBVZXJZMYCN-BXKMTCNYSA-N 0 1 443.588 3.694 50 0 IHAAMN Cc1nc(C)c(Cc2ccc(F)cc2)c(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340331 569078632 /nfs/dbraw/zinc/07/86/32/569078632.db2.gz RKMGWLGEJCHGGF-DEOSSOPVSA-N 0 1 434.559 3.549 50 0 IHAAMN Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000036340545 569079016 /nfs/dbraw/zinc/07/90/16/569079016.db2.gz 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COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1Cl ZINC000085690591 557458937 /nfs/dbraw/zinc/45/89/37/557458937.db2.gz KNXPOLPHJBRMMM-OAHLLOKOSA-N 0 1 439.903 3.625 50 0 IHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cccc(C)c2C)cc1 ZINC000051316438 557464313 /nfs/dbraw/zinc/46/43/13/557464313.db2.gz IGRSSNOPCZTAJZ-UHFFFAOYSA-N 0 1 449.536 3.855 50 0 IHAAMN O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000104916352 557464995 /nfs/dbraw/zinc/46/49/95/557464995.db2.gz CQGUBYASTKGIBU-IFMALSPDSA-N 0 1 429.486 3.847 50 0 IHAAMN COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1Cl ZINC000051316718 557465045 /nfs/dbraw/zinc/46/50/45/557465045.db2.gz AYBSQOLJENASCC-UHFFFAOYSA-N 0 1 441.900 3.502 50 0 IHAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc2c(c1)OCO2 ZINC000002970585 562931336 /nfs/dbraw/zinc/93/13/36/562931336.db2.gz RQUKVQUZBNLRMN-UHFFFAOYSA-N 0 1 425.510 3.665 50 0 IHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCO ZINC000008606582 562957065 /nfs/dbraw/zinc/95/70/65/562957065.db2.gz FBZWOXAVQVJGPI-VWLOTQADSA-N 0 1 441.487 3.899 50 0 aggregator IHAAMN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000299770136 568756637 /nfs/dbraw/zinc/75/66/37/568756637.db2.gz PNJMTFMCNIMBLC-GOSISDBHSA-N 0 1 443.588 3.586 50 0 IHAAMN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032103739 568781089 /nfs/dbraw/zinc/78/10/89/568781089.db2.gz GHEYURZWGWGAAM-HXUWFJFHSA-N 0 1 448.445 3.928 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cc1 ZINC000084160405 568795468 /nfs/dbraw/zinc/79/54/68/568795468.db2.gz VBRKOFGSHITLBK-UHFFFAOYSA-N 0 1 443.529 3.606 50 0 IHAAMN COc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)n[nH]2)cc1 ZINC000015679244 568805715 /nfs/dbraw/zinc/80/57/15/568805715.db2.gz RQJMVWGFDMBZNP-UHFFFAOYSA-N 0 1 440.931 3.576 50 0 IHAAMN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)s1 ZINC000032532520 568812658 /nfs/dbraw/zinc/81/26/58/568812658.db2.gz FYALZEFQZJPOGI-CYBMUJFWSA-N 0 1 428.601 3.586 50 0 IHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1Cl ZINC000015730319 568813880 /nfs/dbraw/zinc/81/38/80/568813880.db2.gz NPVWYIZJCZXFCK-JTQLQIEISA-N 0 1 442.946 3.981 50 0 IHAAMN CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015773298 568823066 /nfs/dbraw/zinc/82/30/66/568823066.db2.gz WRENLMIXUDSWPS-HSZRJFAPSA-N 0 1 425.960 3.646 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000015865434 568850099 /nfs/dbraw/zinc/85/00/99/568850099.db2.gz LAHYHKGYJGMFKL-UHFFFAOYSA-N 0 1 435.505 3.691 50 0 IHAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC(C)C)c(=O)c2c1 ZINC000006296475 568882369 /nfs/dbraw/zinc/88/23/69/568882369.db2.gz FHAJWMFCYJOCJH-UHFFFAOYSA-N 0 1 441.553 3.519 50 0 IHAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000226838919 568885308 /nfs/dbraw/zinc/88/53/08/568885308.db2.gz NLLYAYVSSXMHDM-JTKRFKOTSA-N 0 1 442.446 3.981 50 0 IHAAMN CC(=O)[C@@H]1C(C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000226838919 568885311 /nfs/dbraw/zinc/88/53/11/568885311.db2.gz NLLYAYVSSXMHDM-JTKRFKOTSA-N 0 1 442.446 3.981 50 0 IHAAMN COc1cc(-c2noc([C@H](NC[C@@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160541 568967333 /nfs/dbraw/zinc/96/73/33/568967333.db2.gz RPVOSNZCVDLJRB-GHTZIAJQSA-N 0 1 441.528 3.653 50 0 IHAAMN CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000036344101 569080085 /nfs/dbraw/zinc/08/00/85/569080085.db2.gz UJPNQLJRTOLHHK-RUZDIDTESA-N 0 1 434.584 3.709 50 0 IHAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1N(C)C2=O)c1cccs1 ZINC000036358065 569085003 /nfs/dbraw/zinc/08/50/03/569085003.db2.gz CJWHWJASGPDMJK-YKSBVNFPSA-N 0 1 432.549 3.748 50 0 IHAAMN Cc1c2cc(C)c(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010784 569088242 /nfs/dbraw/zinc/08/82/42/569088242.db2.gz VIWWBEQCPJNLFM-UHFFFAOYSA-N 0 1 446.500 3.770 50 0 IHAAMN NC(=O)[C@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000170617474 569147395 /nfs/dbraw/zinc/14/73/95/569147395.db2.gz LFGKRVMFVOEIEX-QGZVFWFLSA-N 0 1 449.985 3.805 50 0 IHAAMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000170619794 569147517 /nfs/dbraw/zinc/14/75/17/569147517.db2.gz FBKPOHDSMVRQSD-AWEZNQCLSA-N 0 1 430.839 3.739 50 0 IHAAMN Cc1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(Cl)cc1F ZINC000253420913 569266968 /nfs/dbraw/zinc/26/69/68/569266968.db2.gz NRJOBQPKUYMTTN-UHFFFAOYSA-N 0 1 425.913 3.678 50 0 IHAAMN CCOC(=O)C1C(CNc2cc(OCC)ccc2OCC)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283294 569358931 /nfs/dbraw/zinc/35/89/31/569358931.db2.gz UOINLQQLVZLLIR-QFIPXVFZSA-N 0 1 439.512 3.767 50 0 IHAAMN COc1ccc(CCc2nnc(NC(=O)CCc3cn(C)c4ccccc34)[nH]2)cc1OC ZINC000095476380 569373035 /nfs/dbraw/zinc/37/30/35/569373035.db2.gz PGRLZLGFFOUCII-UHFFFAOYSA-N 0 1 433.512 3.670 50 0 IHAAMN COc1ccc(CCc2n[nH]c(NC(=O)CCc3cn(C)c4ccccc34)n2)cc1OC ZINC000095476380 569373037 /nfs/dbraw/zinc/37/30/37/569373037.db2.gz PGRLZLGFFOUCII-UHFFFAOYSA-N 0 1 433.512 3.670 50 0 IHAAMN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000096379755 569398135 /nfs/dbraw/zinc/39/81/35/569398135.db2.gz JSEXXJQFSCQMKG-UHFFFAOYSA-N 0 1 425.308 3.862 50 0 IHAAMN CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890456 569424407 /nfs/dbraw/zinc/42/44/07/569424407.db2.gz DFBMNDNOWRVTLC-SFHVURJKSA-N 0 1 427.298 3.662 50 0 IHAAMN CCCCN(C)CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000003587767 569454495 /nfs/dbraw/zinc/45/44/95/569454495.db2.gz KNNCESPQNQVYRF-UHFFFAOYSA-N 0 1 426.966 3.510 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000031808111 569457627 /nfs/dbraw/zinc/45/76/27/569457627.db2.gz OXDJFLLMKIHOAP-OAHLLOKOSA-N 0 1 446.323 3.929 50 0 IHAAMN CCOc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(-c2ccccc2)c1OC ZINC000032297480 569461123 /nfs/dbraw/zinc/46/11/23/569461123.db2.gz UYOMLRJTDLRRAZ-RTBURBONSA-N 0 1 426.557 3.990 50 0 IHAAMN Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415231 569461253 /nfs/dbraw/zinc/46/12/53/569461253.db2.gz LSGWJALQGUMIRM-QWJNTRFUSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3NC(=N)Nc4nc5ccccc5n43)cc12 ZINC000038257299 569462492 /nfs/dbraw/zinc/46/24/92/569462492.db2.gz UKDFWGUICFFROD-LJQANCHMSA-N 0 1 428.887 3.828 50 0 IHAAMN O=C(CN[C@@H](c1cccs1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000008749959 569473323 /nfs/dbraw/zinc/47/33/23/569473323.db2.gz GWMQWUGQVCYKFL-RUZDIDTESA-N 0 1 449.576 3.500 50 0 IHAAMN O=C(CN[C@H](c1cccs1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000008749956 569473371 /nfs/dbraw/zinc/47/33/71/569473371.db2.gz GWMQWUGQVCYKFL-VWLOTQADSA-N 0 1 449.576 3.500 50 0 IHAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008845715 569478935 /nfs/dbraw/zinc/47/89/35/569478935.db2.gz MDMGNCYTMFNHDL-DEOSSOPVSA-N 0 1 442.475 3.945 50 0 IHAAMN CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120908 569489531 /nfs/dbraw/zinc/48/95/31/569489531.db2.gz PATDIKZLVLUMPJ-FUHWJXTLSA-N 0 1 439.503 3.535 50 0 IHAAMN Fc1ccc(-c2nnc3sc(-c4[nH]ncc4Br)nn32)cc1Br ZINC000040285463 569498069 /nfs/dbraw/zinc/49/80/69/569498069.db2.gz WEMNTXRFCDXDOP-UHFFFAOYSA-N 0 1 444.087 3.907 50 0 IHAAMN CC(=O)[C@@H]1C(=C(O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964542 569491292 /nfs/dbraw/zinc/49/12/92/569491292.db2.gz CCMDLTKZCCBGQJ-ZOJNDGCKSA-N 0 1 435.483 3.644 50 0 biogenic IHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000040268611 569497503 /nfs/dbraw/zinc/49/75/03/569497503.db2.gz ATGWAHWFXGRSNS-LJQANCHMSA-N 0 1 449.349 3.563 50 0 IHAAMN CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352406 569502209 /nfs/dbraw/zinc/50/22/09/569502209.db2.gz HPLOVMKAUMESAU-CZUORRHYSA-N 0 1 425.476 3.539 50 0 IHAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)c1 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IHAAMN Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)cc2[nH]1 ZINC000010895535 557082150 /nfs/dbraw/zinc/08/21/50/557082150.db2.gz FJABMLMQNOIWMQ-UHFFFAOYSA-N 0 1 440.569 3.836 50 0 IHAAMN O=S(=O)(NCCN1CCCCCC1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307148 557086517 /nfs/dbraw/zinc/08/65/17/557086517.db2.gz LXYJBVMMXVKSSO-UHFFFAOYSA-N 0 1 444.532 3.697 50 0 IHAAMN COCCN1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000023358151 557087023 /nfs/dbraw/zinc/08/70/23/557087023.db2.gz KUGQDJREVLTKSU-UHFFFAOYSA-N 0 1 438.547 3.759 50 0 IHAAMN Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(NC2CCCCC2)n1 ZINC000049028109 557088234 /nfs/dbraw/zinc/08/82/34/557088234.db2.gz WZJUHPZPRMLUBK-UHFFFAOYSA-N 0 1 447.539 3.598 50 0 IHAAMN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)N(C)C)c2)cc1 ZINC000025719977 557223225 /nfs/dbraw/zinc/22/32/25/557223225.db2.gz KQPBNJAGQZODGY-FQEVSTJZSA-N 0 1 443.594 3.890 50 0 IHAAMN CC(=O)c1ccc(NC(=O)CCN(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000026154806 557236317 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ZINC000032532521 568812746 /nfs/dbraw/zinc/81/27/46/568812746.db2.gz FYALZEFQZJPOGI-ZDUSSCGKSA-N 0 1 428.601 3.586 50 0 IHAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)c1 ZINC000015730811 568814245 /nfs/dbraw/zinc/81/42/45/568814245.db2.gz GYEGETPTXINWNU-CYBMUJFWSA-N 0 1 436.555 3.965 50 0 IHAAMN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575621605 568883205 /nfs/dbraw/zinc/88/32/05/568883205.db2.gz PXWWHZKCSDYTMO-MRXNPFEDSA-N 0 1 435.402 3.689 50 0 IHAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000245246792 568913433 /nfs/dbraw/zinc/91/34/33/568913433.db2.gz OBUYDIXKFNSQRN-QLDGJZPUSA-N 0 1 444.318 3.574 50 0 IHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000035829422 568927903 /nfs/dbraw/zinc/92/79/03/568927903.db2.gz IDBGELSBFLILEM-GRSHGNNSSA-N 0 1 433.855 3.504 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COC(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146429 568962867 /nfs/dbraw/zinc/96/28/67/568962867.db2.gz CGQFKFQAFUSAAF-GMAHTHKFSA-N 0 1 430.520 3.615 50 0 IHAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340810 569078475 /nfs/dbraw/zinc/07/84/75/569078475.db2.gz HJOZPBKDNSIENQ-LJQANCHMSA-N 0 1 434.559 3.939 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036345105 569080472 /nfs/dbraw/zinc/08/04/72/569080472.db2.gz KOZWDIYFIOKUNU-VWLOTQADSA-N 0 1 434.584 3.627 50 0 IHAAMN C[C@H]1CCCCN1CCNC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000773 569085988 /nfs/dbraw/zinc/08/59/88/569085988.db2.gz XLTBPVLDQVRPLZ-SFHVURJKSA-N 0 1 435.568 3.597 50 0 IHAAMN CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000036396895 569100027 /nfs/dbraw/zinc/10/00/27/569100027.db2.gz HVNXHJNWKHCRSC-UHFFFAOYSA-N 0 1 437.931 3.740 50 0 IHAAMN Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000065097652 569104026 /nfs/dbraw/zinc/10/40/26/569104026.db2.gz WSRDDROTTNTHOU-UHFFFAOYSA-N 0 1 446.554 3.760 50 0 IHAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000065115905 569106973 /nfs/dbraw/zinc/10/69/73/569106973.db2.gz QPLOIPZJCRMJFL-UHFFFAOYSA-N 0 1 443.481 3.620 50 0 IHAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000065116130 569107122 /nfs/dbraw/zinc/10/71/22/569107122.db2.gz SCJDYYCEVSAQIF-UHFFFAOYSA-N 0 1 433.461 3.811 50 0 IHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)o1 ZINC000065194118 569114701 /nfs/dbraw/zinc/11/47/01/569114701.db2.gz RHAUORXKEWZXIV-UHFFFAOYSA-N 0 1 430.408 3.700 50 0 IHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000036569630 569118367 /nfs/dbraw/zinc/11/83/67/569118367.db2.gz PCJJBHSNLVWRKG-TZIWHRDSSA-N 0 1 438.915 3.505 50 0 IHAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(C)C ZINC000036589861 569121137 /nfs/dbraw/zinc/12/11/37/569121137.db2.gz ZUCJBLACTHVRBP-NVXWUHKLSA-N 0 1 425.316 3.571 50 0 IHAAMN Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265704 569127131 /nfs/dbraw/zinc/12/71/31/569127131.db2.gz BALKMMQOMOYTQA-VWLOTQADSA-N 0 1 444.539 3.536 50 0 biogenic IHAAMN COc1cc(OC)cc(C(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC2CCCC2)c1 ZINC000065265673 569127133 /nfs/dbraw/zinc/12/71/33/569127133.db2.gz FJIPGSQZJZUBES-UHFFFAOYSA-N 0 1 449.555 3.762 50 0 biogenic IHAAMN O=C(COc1coc(CN2CCCC2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000071287687 569150900 /nfs/dbraw/zinc/15/09/00/569150900.db2.gz BQXSLLBSGXJRPM-UHFFFAOYSA-N 0 1 430.810 3.925 50 0 IHAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NCc1ccco1 ZINC000016840445 569163122 /nfs/dbraw/zinc/16/31/22/569163122.db2.gz OMWHIHZOIAGNFM-UHFFFAOYSA-N 0 1 430.536 3.506 50 0 IHAAMN COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 ZINC000027340452 569190754 /nfs/dbraw/zinc/19/07/54/569190754.db2.gz JMOAXVCMFYAHIU-XUZZJYLKSA-N 0 1 435.568 3.618 50 0 IHAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1coc2ccccc2c1=O ZINC000253403000 569264937 /nfs/dbraw/zinc/26/49/37/569264937.db2.gz GVWQHIHWRSFMGE-ZDUSSCGKSA-N 0 1 432.384 3.557 50 0 biogenic IHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000002453250 569305566 /nfs/dbraw/zinc/30/55/66/569305566.db2.gz MILNJVZYCPJSNJ-UJAPCULTSA-N 0 1 449.938 3.696 50 0 IHAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000013039303 569307829 /nfs/dbraw/zinc/30/78/29/569307829.db2.gz BCSTXEPDBPKFTC-CQSZACIVSA-N 0 1 443.491 3.553 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NCCc4ccccc4)c3=O)c2c1 ZINC000020330516 569360733 /nfs/dbraw/zinc/36/07/33/569360733.db2.gz VUILKYXNNRCGKZ-UHFFFAOYSA-N 0 1 436.537 3.688 50 0 IHAAMN O=C(O[C@H](CN1CCC2(CC1)OCCO2)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000020405418 569363801 /nfs/dbraw/zinc/36/38/01/569363801.db2.gz GXUWOBTUNBQOPU-CQSZACIVSA-N 0 1 427.341 3.632 50 0 IHAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000095483636 569374671 /nfs/dbraw/zinc/37/46/71/569374671.db2.gz JHOANXJVAKMHAI-ZLNRFVROSA-N 0 1 430.460 3.755 50 0 IHAAMN COCc1ccccc1CNC(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000096012805 569380205 /nfs/dbraw/zinc/38/02/05/569380205.db2.gz RNJHUKRZWFPFGI-DEOSSOPVSA-N 0 1 446.526 3.969 50 0 IHAAMN COc1ccccc1Cn1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)c2ccccc2c1=O ZINC000096117456 569384100 /nfs/dbraw/zinc/38/41/00/569384100.db2.gz OUGHYOQDPOIRBZ-UHFFFAOYSA-N 0 1 431.496 3.627 50 0 IHAAMN COc1ccccc1Cn1cc(C(=O)Nc2nc(CC(C)C)n[nH]2)c2ccccc2c1=O ZINC000096117456 569384102 /nfs/dbraw/zinc/38/41/02/569384102.db2.gz OUGHYOQDPOIRBZ-UHFFFAOYSA-N 0 1 431.496 3.627 50 0 IHAAMN CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000002643327 569413900 /nfs/dbraw/zinc/41/39/00/569413900.db2.gz NYNDJOIQPRBRIO-UHFFFAOYSA-N 0 1 441.484 3.515 50 0 IHAAMN Cc1nn(C)cc1S(=O)(=O)Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000002804592 569422611 /nfs/dbraw/zinc/42/26/11/569422611.db2.gz ZWVKOUWBONDSHN-UHFFFAOYSA-N 0 1 434.736 3.734 50 0 IHAAMN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414734 569433917 /nfs/dbraw/zinc/43/39/17/569433917.db2.gz BFZJRJMESKIQAQ-DEOSSOPVSA-N 0 1 447.535 3.656 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003356919 569447651 /nfs/dbraw/zinc/44/76/51/569447651.db2.gz SRONFZNZVIXKDO-UHFFFAOYSA-N 0 1 440.477 3.520 50 0 IHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000058150994 569448921 /nfs/dbraw/zinc/44/89/21/569448921.db2.gz WUXGMAPRIXVLEN-MPNRVQBSSA-N 0 1 425.504 3.587 50 0 IHAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000031808106 569457555 /nfs/dbraw/zinc/45/75/55/569457555.db2.gz OXDJFLLMKIHOAP-HNNXBMFYSA-N 0 1 446.323 3.929 50 0 IHAAMN COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000032145655 569460465 /nfs/dbraw/zinc/46/04/65/569460465.db2.gz SOMWRHSUYUSAJL-UHFFFAOYSA-N 0 1 430.457 3.896 50 0 IHAAMN CCN(CC)[C@@H](CNC(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1Cl ZINC000032316999 569461222 /nfs/dbraw/zinc/46/12/22/569461222.db2.gz PTJALCDDFDOLHX-INIZCTEOSA-N 0 1 432.977 3.770 50 0 IHAAMN Cc1cc(C)c(-c2[nH]nc3c2[C@@H](c2cccc(Br)c2)N(CCO)C3=O)c(O)c1 ZINC000008845131 569478688 /nfs/dbraw/zinc/47/86/88/569478688.db2.gz MEOXIEMCXLZSMT-HXUWFJFHSA-N 0 1 442.313 3.699 50 0 IHAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1OC ZINC000009124003 569504281 /nfs/dbraw/zinc/50/42/81/569504281.db2.gz TWGPXKOWBGAJHP-CMJOXMDJSA-N 0 1 435.480 3.524 50 0 IHAAMN CCOC(=O)C1=C(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000009127586 569505229 /nfs/dbraw/zinc/50/52/29/569505229.db2.gz NVSASCFNIQMLMM-HXUWFJFHSA-N 0 1 429.423 3.507 50 0 IHAAMN C[C@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cn1)c1ccccc1 ZINC000069621355 569509883 /nfs/dbraw/zinc/50/98/83/569509883.db2.gz XAQUWSHPQWWRIG-SQJMNOBHSA-N 0 1 444.579 3.940 50 0 IHAAMN Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000069656247 569511686 /nfs/dbraw/zinc/51/16/86/569511686.db2.gz MNKXZJFTBJXOQZ-UHFFFAOYSA-N 0 1 433.531 3.946 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCC1 ZINC000009349100 569524666 /nfs/dbraw/zinc/52/46/66/569524666.db2.gz OLMZRTBTHZQJOS-UHFFFAOYSA-N 0 1 441.509 3.942 50 0 IHAAMN CCOc1ccc2nc(SCC(=O)NCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 ZINC000009367232 569526377 /nfs/dbraw/zinc/52/63/77/569526377.db2.gz AEWNKKSYVHZECT-UHFFFAOYSA-N 0 1 432.933 3.770 50 0 IHAAMN Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 ZINC000009373809 569527141 /nfs/dbraw/zinc/52/71/41/569527141.db2.gz USCMTRJRZNFFGR-UHFFFAOYSA-N 0 1 439.932 3.742 50 0 IHAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)n3C)ccc2OC)cc1 ZINC000009467642 569538447 /nfs/dbraw/zinc/53/84/47/569538447.db2.gz BIGQZGFYUIRLGD-UHFFFAOYSA-N 0 1 443.525 3.794 50 0 IHAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)on1 ZINC000009637672 569554882 /nfs/dbraw/zinc/55/48/82/569554882.db2.gz MWRHTYHOLKINFF-UHFFFAOYSA-N 0 1 430.482 3.945 50 0 IHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1 ZINC000009939080 569573833 /nfs/dbraw/zinc/57/38/33/569573833.db2.gz GIHVLXOOOSEKTA-UHFFFAOYSA-N 0 1 443.550 3.617 50 0 IHAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000009970925 569576204 /nfs/dbraw/zinc/57/62/04/569576204.db2.gz UIULAQLROPBQHY-UHFFFAOYSA-N 0 1 439.493 3.707 50 0 IHAAMN O=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000020513145 569587078 /nfs/dbraw/zinc/58/70/78/569587078.db2.gz BQBSWMVKCVWNCO-LSMJOZQBSA-N 0 1 437.368 3.653 50 0 IHAAMN Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCCC4)CC3)c3ccccc32)cc1 ZINC000002211401 132249007 /nfs/dbraw/zinc/24/90/07/132249007.db2.gz CUIFMIUROHUWMX-UHFFFAOYSA-N 0 1 429.568 3.740 50 0 IHAAMN CCOc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1 ZINC000009087130 132302197 /nfs/dbraw/zinc/30/21/97/132302197.db2.gz SWAIESJMPIEHQP-VWLOTQADSA-N 0 1 429.476 3.705 50 0 IHAAMN CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1 ZINC000009087129 132302199 /nfs/dbraw/zinc/30/21/99/132302199.db2.gz SWAIESJMPIEHQP-RUZDIDTESA-N 0 1 429.476 3.705 50 0 IHAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009908025 132331611 /nfs/dbraw/zinc/33/16/11/132331611.db2.gz CKZXYHTZJYEQMX-UHFFFAOYSA-N 0 1 445.947 3.676 50 0 IHAAMN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697942 132339243 /nfs/dbraw/zinc/33/92/43/132339243.db2.gz PYWABZLLCWKEJW-UHFFFAOYSA-N 0 1 428.418 3.596 50 0 IHAAMN Cc1cccc(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1 ZINC000013464639 132346994 /nfs/dbraw/zinc/34/69/94/132346994.db2.gz QRMZFMDBAWDMGD-UHFFFAOYSA-N 0 1 428.492 3.620 50 0 IHAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000021931328 519731575 /nfs/dbraw/zinc/73/15/75/519731575.db2.gz BTKBAVWQRYOQIS-UHFFFAOYSA-N 0 1 438.509 3.710 50 0 IHAAMN CCOC(=O)c1c(C)oc2ncnc(NCCN3CCN(c4cccc(Cl)c4)CC3)c21 ZINC000015727236 521402394 /nfs/dbraw/zinc/40/23/94/521402394.db2.gz KDQXDEBUGAGSGC-UHFFFAOYSA-N 0 1 443.935 3.595 50 0 IHAAMN CCOC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccc(O)cc3)c(C)[nH]2)cc1 ZINC000012411050 521497032 /nfs/dbraw/zinc/49/70/32/521497032.db2.gz PICJPFDLISICHH-UHFFFAOYSA-N 0 1 425.510 3.922 50 0 IHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020678019 521628981 /nfs/dbraw/zinc/62/89/81/521628981.db2.gz NKXKSUPNMFGZAI-UHFFFAOYSA-N 0 1 435.572 3.845 50 0 IHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N3)cc1 ZINC000020744874 523234641 /nfs/dbraw/zinc/23/46/41/523234641.db2.gz LTWDMSBPFOVAKN-OAHLLOKOSA-N 0 1 432.267 3.783 50 0 IHAAMN COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N3)cc1 ZINC000020732798 523235266 /nfs/dbraw/zinc/23/52/66/523235266.db2.gz FWFVPLYVSHHFRY-HNNXBMFYSA-N 0 1 432.267 3.783 50 0 IHAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(C)C ZINC000020727486 523610452 /nfs/dbraw/zinc/61/04/52/523610452.db2.gz LCCQVBGVFQQFLS-DOTOQJQBSA-N 0 1 425.316 3.571 50 0 IHAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000020726219 523909874 /nfs/dbraw/zinc/90/98/74/523909874.db2.gz PCJJBHSNLVWRKG-PZJWPPBQSA-N 0 1 438.915 3.505 50 0 IHAAMN COc1ccc(C[C@]2(CCC(=O)N(C)Cc3cc(C)[nH]n3)CCC(=O)N2)c2ccccc12 ZINC000012167475 524157818 /nfs/dbraw/zinc/15/78/18/524157818.db2.gz UIHAKQZIMZCKFF-RUZDIDTESA-N 0 1 434.540 3.510 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 ZINC000012544767 524195419 /nfs/dbraw/zinc/19/54/19/524195419.db2.gz ZHVXWRYAWIYSPO-UHFFFAOYSA-N 0 1 427.492 3.875 50 0 IHAAMN C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035421907 524302944 /nfs/dbraw/zinc/30/29/44/524302944.db2.gz UIEZLQAXPBVRGI-GOSISDBHSA-N 0 1 447.501 3.773 50 0 IHAAMN Cc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)NC[C@H]5CCCO5)cc4c3)CC2)n1 ZINC000012152568 524391358 /nfs/dbraw/zinc/39/13/58/524391358.db2.gz DAMZOGGKUQBBDA-JOCHJYFZSA-N 0 1 449.551 3.529 50 0 IHAAMN COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012526355 524471817 /nfs/dbraw/zinc/47/18/17/524471817.db2.gz VVDARIQXZDHCOE-UHFFFAOYSA-N 0 1 439.331 3.997 50 0 IHAAMN C[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035421906 524579955 /nfs/dbraw/zinc/57/99/55/524579955.db2.gz UIEZLQAXPBVRGI-SFHVURJKSA-N 0 1 447.501 3.773 50 0 IHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000022847816 525076576 /nfs/dbraw/zinc/07/65/76/525076576.db2.gz OLZZJMIOJZGVBP-UHFFFAOYSA-N 0 1 436.600 3.803 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(Cl)cc3)c2)cc1OC ZINC000021931822 525089069 /nfs/dbraw/zinc/08/90/69/525089069.db2.gz DMWQOMCEOFDYGG-UHFFFAOYSA-N 0 1 447.900 3.805 50 0 IHAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)CC1 ZINC000020598601 525223055 /nfs/dbraw/zinc/22/30/55/525223055.db2.gz XWKCVXHJQFGLKD-FQEVSTJZSA-N 0 1 435.597 3.873 50 0 IHAAMN COc1ccc([C@@H]2CCCCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012751020 525242087 /nfs/dbraw/zinc/24/20/87/525242087.db2.gz GWMZYLIVAVXMJO-DEOSSOPVSA-N 0 1 444.597 3.833 50 0 IHAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012584791 525264885 /nfs/dbraw/zinc/26/48/85/525264885.db2.gz XRGMLJMUNAXXHZ-UHFFFAOYSA-N 0 1 445.522 3.535 50 0 IHAAMN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000057381170 525607110 /nfs/dbraw/zinc/60/71/10/525607110.db2.gz FVLLPSGGVACGMG-NWDGAFQWSA-N 0 1 445.919 3.546 50 0 IHAAMN Cc1ccnc(N2CCC(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)CC2)n1 ZINC000035454496 525665173 /nfs/dbraw/zinc/66/51/73/525665173.db2.gz ZOMZVOIQYSVYSK-UHFFFAOYSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)C2)n1 ZINC000035454372 525668246 /nfs/dbraw/zinc/66/82/46/525668246.db2.gz ZOAVGBHEOVNVHS-NRFANRHFSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1ccc2nc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000012140917 526251316 /nfs/dbraw/zinc/25/13/16/526251316.db2.gz QEBDMNRFMNRQOK-UHFFFAOYSA-N 0 1 445.610 3.753 50 0 IHAAMN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000042382822 527225644 /nfs/dbraw/zinc/22/56/44/527225644.db2.gz 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CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)c1 ZINC000225465123 557725883 /nfs/dbraw/zinc/72/58/83/557725883.db2.gz YWTQVHKKXBGFNB-UHFFFAOYSA-N 0 1 434.905 3.850 50 0 IHAAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000225546309 557739905 /nfs/dbraw/zinc/73/99/05/557739905.db2.gz ZQKZBURMBWKISM-OAQYLSRUSA-N 0 1 427.570 3.705 50 0 IHAAMN COC(=O)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008606647 562957067 /nfs/dbraw/zinc/95/70/67/562957067.db2.gz JULGHYQWDPICJG-HSZRJFAPSA-N 0 1 440.459 3.709 50 0 IHAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)ccc1O ZINC000008606653 562957079 /nfs/dbraw/zinc/95/70/79/562957079.db2.gz YPOTWRSQTYJADU-HSZRJFAPSA-N 0 1 428.448 3.637 50 0 IHAAMN CN(C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000009604045 562974018 /nfs/dbraw/zinc/97/40/18/562974018.db2.gz IDXSYLVKZBFVNC-UHFFFAOYSA-N 0 1 433.917 3.652 50 0 IHAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3)ccc2OC)cc1 ZINC000025080499 568635787 /nfs/dbraw/zinc/63/57/87/568635787.db2.gz HWURAFGSTJRVPW-UHFFFAOYSA-N 0 1 441.509 3.850 50 0 IHAAMN O=C(CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1)Nc1cccnc1 ZINC000043939686 568743673 /nfs/dbraw/zinc/74/36/73/568743673.db2.gz SHDIEIYKMXCXQE-UHFFFAOYSA-N 0 1 438.494 3.571 50 0 IHAAMN Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2nc(-c4ccccc4)n[nH]2)C3)nc1 ZINC000299765346 568756142 /nfs/dbraw/zinc/75/61/42/568756142.db2.gz AGBVTJSRLXYIHQ-LJQANCHMSA-N 0 1 425.492 3.505 50 0 IHAAMN Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)Cc2n[nH]c(-c4ccccc4)n2)C3)nc1 ZINC000299765346 568756146 /nfs/dbraw/zinc/75/61/46/568756146.db2.gz AGBVTJSRLXYIHQ-LJQANCHMSA-N 0 1 425.492 3.505 50 0 IHAAMN COC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(O)c(CC3CCCCC3)n21 ZINC000001394601 568785585 /nfs/dbraw/zinc/78/55/85/568785585.db2.gz YPSKXEVZMGXNID-MRXNPFEDSA-N 0 1 445.541 3.539 50 0 IHAAMN CCN(CC)[C@@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 ZINC000084771093 568800987 /nfs/dbraw/zinc/80/09/87/568800987.db2.gz CBBQLGSIPUJUPX-IBGZPJMESA-N 0 1 430.574 3.567 50 0 IHAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006146644 568846251 /nfs/dbraw/zinc/84/62/51/568846251.db2.gz DRZWXSNBUMWELS-UHFFFAOYSA-N 0 1 442.468 3.958 50 0 IHAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000016097010 568870368 /nfs/dbraw/zinc/87/03/68/568870368.db2.gz VTMPROHHOJEHPK-UHFFFAOYSA-N 0 1 436.489 3.957 50 0 IHAAMN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000064580438 568934286 /nfs/dbraw/zinc/93/42/86/568934286.db2.gz XJIWIYCEJLTVGK-UHFFFAOYSA-N 0 1 439.537 3.742 50 0 IHAAMN COc1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1OC ZINC000036096098 568951157 /nfs/dbraw/zinc/95/11/57/568951157.db2.gz BTTKWFHJAVCJMO-PZJWPPBQSA-N 0 1 435.948 3.778 50 0 IHAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1 ZINC000036098465 568951827 /nfs/dbraw/zinc/95/18/27/568951827.db2.gz RLCDQNDMSQBVCJ-HXUWFJFHSA-N 0 1 425.481 3.597 50 0 IHAAMN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146495 568962788 /nfs/dbraw/zinc/96/27/88/568962788.db2.gz JPJKNEIDNDKGRE-GMAHTHKFSA-N 0 1 426.557 3.866 50 0 IHAAMN CCC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036309996 568996449 /nfs/dbraw/zinc/99/64/49/568996449.db2.gz XKQXBFCDSGDCQY-ICSRJNTNSA-N 0 1 446.613 3.744 50 0 IHAAMN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036340050 569078806 /nfs/dbraw/zinc/07/88/06/569078806.db2.gz XFXDYSOLLZSNTP-OAQYLSRUSA-N 0 1 446.595 3.692 50 0 IHAAMN CCc1cccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)c1 ZINC000065116601 569107539 /nfs/dbraw/zinc/10/75/39/569107539.db2.gz MWXZHMZCVLACPZ-UHFFFAOYSA-N 0 1 446.554 3.706 50 0 IHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2cccc(Br)c2)o1 ZINC000065194146 569114727 /nfs/dbraw/zinc/11/47/27/569114727.db2.gz ILYULCZWPODBKS-UHFFFAOYSA-N 0 1 425.308 3.564 50 0 IHAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1C ZINC000065194618 569114778 /nfs/dbraw/zinc/11/47/78/569114778.db2.gz MKCLAIFLOHBOFA-UHFFFAOYSA-N 0 1 430.486 3.582 50 0 IHAAMN CCCN1CCN(C(=O)Cn2c(C)cc(-c3nc(-c4ccc(F)cc4)no3)c2C)CC1 ZINC000065195016 569115348 /nfs/dbraw/zinc/11/53/48/569115348.db2.gz XLUQAPIURZKPKW-UHFFFAOYSA-N 0 1 425.508 3.515 50 0 IHAAMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000036579857 569119604 /nfs/dbraw/zinc/11/96/04/569119604.db2.gz KHTZXSJJPXANJV-TZIWHRDSSA-N 0 1 438.915 3.505 50 0 IHAAMN CCCCN1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)CC1 ZINC000065241492 569120992 /nfs/dbraw/zinc/12/09/92/569120992.db2.gz VUDCYZPEGCPIHC-UHFFFAOYSA-N 0 1 436.581 3.913 50 0 IHAAMN Cc1cccc(NC(=O)N2CCC(C(=O)NCc3ccc(CN(C)C)c(F)c3)CC2)c1 ZINC000089672813 569161096 /nfs/dbraw/zinc/16/10/96/569161096.db2.gz MXCOPMGROWYBNX-UHFFFAOYSA-N 0 1 426.536 3.756 50 0 IHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009268620 569176805 /nfs/dbraw/zinc/17/68/05/569176805.db2.gz RFWWMXZQOUYNGW-UHFFFAOYSA-N 0 1 441.553 3.602 50 0 IHAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002119416 569182812 /nfs/dbraw/zinc/18/28/12/569182812.db2.gz HXHILYRRLVJUGI-FICZKHPKSA-N 0 1 445.003 3.747 50 0 biogenic IHAAMN CN(C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)c1 ZINC000027594141 569274562 /nfs/dbraw/zinc/27/45/62/569274562.db2.gz GROQGNPZDQVCOI-NRFANRHFSA-N 0 1 427.907 3.722 50 0 IHAAMN COc1cc(NC2CCN([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000079025618 569322735 /nfs/dbraw/zinc/32/27/35/569322735.db2.gz HHBCVVYKRBUMOX-MRXNPFEDSA-N 0 1 431.964 3.938 50 0 IHAAMN Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CCN(CCO)CC3)c2cc1C ZINC000095472751 569372131 /nfs/dbraw/zinc/37/21/31/569372131.db2.gz TYFMXNIWWRNENJ-UHFFFAOYSA-N 0 1 447.535 3.636 50 0 IHAAMN CCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1OC ZINC000096024248 569380451 /nfs/dbraw/zinc/38/04/51/569380451.db2.gz PLNZZESXVHTKSI-JOCHJYFZSA-N 0 1 425.529 3.732 50 0 IHAAMN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)cc1Cl ZINC000096324787 569396172 /nfs/dbraw/zinc/39/61/72/569396172.db2.gz YWIYVYNPQGSPEI-HNNXBMFYSA-N 0 1 439.903 3.625 50 0 IHAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CN(CC)CC ZINC000096576615 569401392 /nfs/dbraw/zinc/40/13/92/569401392.db2.gz OHJSWHYBCFEGOV-UHFFFAOYSA-N 0 1 425.323 3.885 50 0 IHAAMN COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000003569907 569454181 /nfs/dbraw/zinc/45/41/81/569454181.db2.gz KSCCXGHBDHHBQA-UHFFFAOYSA-N 0 1 440.521 3.743 50 0 IHAAMN Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 ZINC000059415208 569461249 /nfs/dbraw/zinc/46/12/49/569461249.db2.gz SVKLPRDZURGQKV-QWJNTRFUSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1OC ZINC000008768332 569474933 /nfs/dbraw/zinc/47/49/33/569474933.db2.gz LBMHNXGVVAIYRL-FQEVSTJZSA-N 0 1 442.899 3.570 50 0 IHAAMN CCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000008845799 569478957 /nfs/dbraw/zinc/47/89/57/569478957.db2.gz QAWRAEOZJWCMPV-SFHVURJKSA-N 0 1 444.285 3.824 50 0 IHAAMN COc1ccc([C@H](CNC(=O)c2csc(-c3cnn(C)c3)n2)N2CCCCC2)cc1 ZINC000040143480 569491937 /nfs/dbraw/zinc/49/19/37/569491937.db2.gz YWTUFVZMYBFUMN-FQEVSTJZSA-N 0 1 425.558 3.509 50 0 IHAAMN CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000069458797 569506613 /nfs/dbraw/zinc/50/66/13/569506613.db2.gz AVLGDUQUMREXCJ-UHFFFAOYSA-N 0 1 429.542 3.505 50 0 IHAAMN CN1c2cc(NS(=O)(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000009169835 569509237 /nfs/dbraw/zinc/50/92/37/569509237.db2.gz XVZAHPAHNRMUEW-UHFFFAOYSA-N 0 1 439.331 3.631 50 0 IHAAMN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009170354 569509329 /nfs/dbraw/zinc/50/93/29/569509329.db2.gz WGUSTMGELVZOTK-UHFFFAOYSA-N 0 1 435.509 3.500 50 0 IHAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl ZINC000009318083 569522424 /nfs/dbraw/zinc/52/24/24/569522424.db2.gz GPFGXZZONATXFA-UHFFFAOYSA-N 0 1 436.711 3.929 50 0 IHAAMN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000009448461 569536044 /nfs/dbraw/zinc/53/60/44/569536044.db2.gz CFTBNENSPYPWFV-UHFFFAOYSA-N 0 1 439.932 3.742 50 0 IHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1ccc(O)cc1 ZINC000009547902 569546434 /nfs/dbraw/zinc/54/64/34/569546434.db2.gz BRCCGSZEZBXMMQ-UHFFFAOYSA-N 0 1 431.444 3.609 50 0 biogenic IHAAMN Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C ZINC000009685115 569560641 /nfs/dbraw/zinc/56/06/41/569560641.db2.gz WYBGNSNBZQSOJL-UHFFFAOYSA-N 0 1 427.929 3.861 50 0 IHAAMN Cc1cccc(N2CCN(C(=O)C3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1C ZINC000008916163 132298038 /nfs/dbraw/zinc/29/80/38/132298038.db2.gz URVCVZYYCQJQJV-UHFFFAOYSA-N 0 1 435.568 3.593 50 0 IHAAMN O=C(CC[C@H]1CCCN(Cc2cccc(F)c2F)C1)N1CCN(c2ccccn2)CC1 ZINC000011816385 132340473 /nfs/dbraw/zinc/34/04/73/132340473.db2.gz RUYKFXLACWGTHK-LJQANCHMSA-N 0 1 428.527 3.701 50 0 IHAAMN CC(C)C[C@@]1(C2CCN(Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012165001 519288170 /nfs/dbraw/zinc/28/81/70/519288170.db2.gz NJFRBBDMUNWZLV-DEOSSOPVSA-N 0 1 440.613 3.935 50 0 IHAAMN CCOC(=O)C1C(CN2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557894 520508853 /nfs/dbraw/zinc/50/88/53/520508853.db2.gz VQQMJNDBQRTRSV-QHCPKHFHSA-N 0 1 435.499 3.786 50 0 IHAAMN CN(C)S(=O)(=O)NC[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000012702461 521966896 /nfs/dbraw/zinc/96/68/96/521966896.db2.gz PTROKXMYIZYEIQ-GOSISDBHSA-N 0 1 437.993 3.740 50 0 IHAAMN CCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020677953 523189954 /nfs/dbraw/zinc/18/99/54/523189954.db2.gz FFHRSPMTQXWGEJ-UHFFFAOYSA-N 0 1 435.572 3.520 50 0 IHAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000011914919 523291360 /nfs/dbraw/zinc/29/13/60/523291360.db2.gz REKKBVGHVFAUJK-HSZRJFAPSA-N 0 1 437.496 3.690 50 0 IHAAMN CN(C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C1CC1)C1CC1 ZINC000012227279 523841980 /nfs/dbraw/zinc/84/19/80/523841980.db2.gz SEMUSVVSLZMPPR-RUZDIDTESA-N 0 1 445.607 3.656 50 0 IHAAMN COCCNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)CN1Cc1cc(C)ccc1C ZINC000012242390 523914217 /nfs/dbraw/zinc/91/42/17/523914217.db2.gz LFXOUVWYSKQJCK-UGKGYDQZSA-N 0 1 438.597 3.678 50 0 IHAAMN COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 ZINC000012781628 524093779 /nfs/dbraw/zinc/09/37/79/524093779.db2.gz PSVKQBNKSJAMTB-DHIUTWEWSA-N 0 1 441.547 3.542 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000020728924 524229887 /nfs/dbraw/zinc/22/98/87/524229887.db2.gz ZNZHUHNCLOPJHM-AWEZNQCLSA-N 0 1 432.267 3.783 50 0 IHAAMN Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)C2)n1 ZINC000035454375 525667243 /nfs/dbraw/zinc/66/72/43/525667243.db2.gz ZOAVGBHEOVNVHS-OAQYLSRUSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1C(F)(F)F ZINC000021869863 526128933 /nfs/dbraw/zinc/12/89/33/526128933.db2.gz IQZTYAZLXXRTIA-LJQANCHMSA-N 0 1 444.457 3.592 50 0 IHAAMN Clc1ccc(-n2cccc2CN2CCc3nnc(CCc4ccccc4)n3CC2)nc1 ZINC000012130266 526938206 /nfs/dbraw/zinc/93/82/06/526938206.db2.gz RHQOSNQWCNSOOY-UHFFFAOYSA-N 0 1 432.959 3.961 50 0 IHAAMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCCN1CCOCC1)c1ccccc1 ZINC000022038156 527104022 /nfs/dbraw/zinc/10/40/22/527104022.db2.gz QAFLTAQEIBOFBA-LJQANCHMSA-N 0 1 441.881 3.960 50 0 IHAAMN O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000042382818 527225476 /nfs/dbraw/zinc/22/54/76/527225476.db2.gz BUKWLWUYGKSOBK-UHFFFAOYSA-N 0 1 447.514 3.917 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000012557069 527257859 /nfs/dbraw/zinc/25/78/59/527257859.db2.gz SGOFHJTYCCRNOW-UHFFFAOYSA-N 0 1 438.440 3.929 50 0 IHAAMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000012631519 527531743 /nfs/dbraw/zinc/53/17/43/527531743.db2.gz IPDTVFKYKUTLRF-UHFFFAOYSA-N 0 1 425.333 3.530 50 0 IHAAMN Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 ZINC000071890366 555744111 /nfs/dbraw/zinc/74/41/11/555744111.db2.gz GBBYGZCDKFOIDM-UHFFFAOYSA-N 0 1 430.556 3.592 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4cccs4)CC3)nc2)cc1 ZINC000034682143 555815948 /nfs/dbraw/zinc/81/59/48/555815948.db2.gz AMZHHZGXVXKZDP-UHFFFAOYSA-N 0 1 428.583 3.575 50 0 IHAAMN CC1=NC(=O)N[C@H](c2ccc(Br)cc2)C1C(=O)OCCOc1ccccc1 ZINC000004066277 555957804 /nfs/dbraw/zinc/95/78/04/555957804.db2.gz BCMOSAMLFLEOEP-GOSISDBHSA-N 0 1 431.286 3.699 50 0 IHAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCc1ccccc1 ZINC000002973738 556152405 /nfs/dbraw/zinc/15/24/05/556152405.db2.gz WGGVVYWTZFMBHS-UHFFFAOYSA-N 0 1 432.343 3.918 50 0 IHAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 ZINC000008845378 556226826 /nfs/dbraw/zinc/22/68/26/556226826.db2.gz PFLGFDUXKAYOSF-OAQYLSRUSA-N 0 1 427.888 3.680 50 0 IHAAMN CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNCc1ccccc1 ZINC000013756210 556300479 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IUOUEXJDVDBLST-UHFFFAOYSA-N 0 1 426.325 3.733 50 0 IHAAMN Cc1oc2cc(OCCN3CCC(C(N)=O)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866403 556666502 /nfs/dbraw/zinc/66/65/02/556666502.db2.gz KXKDDUIFDSALCU-UHFFFAOYSA-N 0 1 440.927 3.998 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000032931458 556675259 /nfs/dbraw/zinc/67/52/59/556675259.db2.gz IIENPDMEMXZVOY-SFHVURJKSA-N 0 1 429.586 3.566 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000032931458 556675263 /nfs/dbraw/zinc/67/52/63/556675263.db2.gz IIENPDMEMXZVOY-SFHVURJKSA-N 0 1 429.586 3.566 50 0 IHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000253389816 556696905 /nfs/dbraw/zinc/69/69/05/556696905.db2.gz LKCKDRMAWUHSIF-RNLGNXJRSA-N 0 1 437.499 3.579 50 0 IHAAMN CSCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 ZINC000061719046 556726067 /nfs/dbraw/zinc/72/60/67/556726067.db2.gz JOHRRPUZINTVMC-WJPUGNRLSA-N 0 1 433.936 3.996 50 0 IHAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)CC1 ZINC000055132975 556735645 /nfs/dbraw/zinc/73/56/45/556735645.db2.gz VGQKSMIURLIOEX-QFIPXVFZSA-N 0 1 425.548 3.580 50 0 IHAAMN NC(=O)CSc1ccccc1NC(=O)CNC1(c2cccc(Br)c2)CCC1 ZINC000058178059 556769774 /nfs/dbraw/zinc/76/97/74/556769774.db2.gz GBTQEKLXGPCVPI-UHFFFAOYSA-N 0 1 448.386 3.634 50 0 IHAAMN COCCN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1cccc(C)c1 ZINC000064137125 556822885 /nfs/dbraw/zinc/82/28/85/556822885.db2.gz VVWAXHRFNSQULC-UHFFFAOYSA-N 0 1 441.553 3.651 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000019644877 556839401 /nfs/dbraw/zinc/83/94/01/556839401.db2.gz HQAHSUWSYCDQCH-UHFFFAOYSA-N 0 1 446.550 3.914 50 0 IHAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000033173819 556883811 /nfs/dbraw/zinc/88/38/11/556883811.db2.gz AIDOUAODLFUDDU-UHFFFAOYSA-N 0 1 445.444 3.673 50 0 IHAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1 ZINC000033170697 556886308 /nfs/dbraw/zinc/88/63/08/556886308.db2.gz UEJTWWOSZBKVNQ-BENRWUELSA-N 0 1 427.482 3.921 50 0 IHAAMN COc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000019774168 556913510 /nfs/dbraw/zinc/91/35/10/556913510.db2.gz XCFSNCDXNRXXEA-HXUWFJFHSA-N 0 1 440.563 3.570 50 0 IHAAMN Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000017207245 557038500 /nfs/dbraw/zinc/03/85/00/557038500.db2.gz FGWNMWIAKGLFFK-FQEVSTJZSA-N 0 1 428.286 3.860 50 0 IHAAMN CCN(CC)[C@@H](CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000024841419 557173256 /nfs/dbraw/zinc/17/32/56/557173256.db2.gz GSONHUCWEGXZIM-NRFANRHFSA-N 0 1 442.556 3.875 50 0 IHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000024968853 557183512 /nfs/dbraw/zinc/18/35/12/557183512.db2.gz RPIQMTJEHMQGKP-IYBDPMFKSA-N 0 1 444.576 3.823 50 0 IHAAMN C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)N1CCN(C)CC1 ZINC000072238678 557204588 /nfs/dbraw/zinc/20/45/88/557204588.db2.gz AGLXLXLVOJAHKA-SFHVURJKSA-N 0 1 428.540 4.000 50 0 IHAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000100188954 557246727 /nfs/dbraw/zinc/24/67/27/557246727.db2.gz KOHBOWIMKVJTCB-QHCPKHFHSA-N 0 1 445.588 3.783 50 0 IHAAMN Cc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]43)cc2[nH]1 ZINC000604419193 557251237 /nfs/dbraw/zinc/25/12/37/557251237.db2.gz GNDNFAWFPPFQCB-HSZRJFAPSA-N 0 1 437.459 3.625 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N[C@@H]1CCOc2ccccc21 ZINC000027317148 557260124 /nfs/dbraw/zinc/26/01/24/557260124.db2.gz KXKYLUBSADHALF-OAHLLOKOSA-N 0 1 445.342 3.966 50 0 IHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051316428 557464231 /nfs/dbraw/zinc/46/42/31/557464231.db2.gz IKPRMZVPQJGODX-UHFFFAOYSA-N 0 1 449.536 3.855 50 0 IHAAMN CC1CC[NH+](CCc2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1 ZINC000006467797 562946792 /nfs/dbraw/zinc/94/67/92/562946792.db2.gz UGRJTJGRCAXPEK-UHFFFAOYSA-N 0 1 430.549 3.788 50 0 IHAAMN CCOC(=O)[C@@H]1CCCN(Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C1 ZINC000008601096 562955185 /nfs/dbraw/zinc/95/51/85/562955185.db2.gz DOMSJUYBVBJFPO-CQSZACIVSA-N 0 1 449.374 3.995 50 0 IHAAMN CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCc3nn[nH]n3)cc21 ZINC000106090088 568624762 /nfs/dbraw/zinc/62/47/62/568624762.db2.gz BUAIFCGSBNDWLX-UHFFFAOYSA-N 0 1 426.274 3.996 50 0 IHAAMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2o1 ZINC000001068243 568656556 /nfs/dbraw/zinc/65/65/56/568656556.db2.gz FVXXFQPDGPGXCO-UHFFFAOYSA-N 0 1 425.196 3.743 50 0 biogenic IHAAMN CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014537151 568781482 /nfs/dbraw/zinc/78/14/82/568781482.db2.gz AMQLITBZNDHCCP-UHFFFAOYSA-N 0 1 449.599 3.754 50 0 IHAAMN COC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(O)c(CC3CCCCC3)n21 ZINC000001394602 568785513 /nfs/dbraw/zinc/78/55/13/568785513.db2.gz YPSKXEVZMGXNID-INIZCTEOSA-N 0 1 445.541 3.539 50 0 IHAAMN O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCN(C2CCCC2)CC1 ZINC000015734842 568816455 /nfs/dbraw/zinc/81/64/55/568816455.db2.gz ZKKOFXSKVZNHEZ-UHFFFAOYSA-N 0 1 425.602 3.508 50 0 IHAAMN COc1ccccc1CNC(=O)CC1(CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1 ZINC000015826970 568840894 /nfs/dbraw/zinc/84/08/94/568840894.db2.gz XFKBTUODLNJNEM-UHFFFAOYSA-N 0 1 441.553 3.674 50 0 IHAAMN Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000524730289 568904132 /nfs/dbraw/zinc/90/41/32/568904132.db2.gz DHTGSUYWVNZCAO-UHFFFAOYSA-N 0 1 436.508 3.853 50 0 biogenic IHAAMN O=c1cc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)nc2sccn21 ZINC000064976696 569077175 /nfs/dbraw/zinc/07/71/75/569077175.db2.gz ZOAICKRCXJTSSG-UHFFFAOYSA-N 0 1 447.925 3.789 50 0 IHAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340811 569078526 /nfs/dbraw/zinc/07/85/26/569078526.db2.gz HJOZPBKDNSIENQ-IBGZPJMESA-N 0 1 434.559 3.939 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344574 569080221 /nfs/dbraw/zinc/08/02/21/569080221.db2.gz XQMPHNIDQVJDKI-VWLOTQADSA-N 0 1 434.584 3.627 50 0 IHAAMN Cc1noc(-c2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1C ZINC000065031348 569091486 /nfs/dbraw/zinc/09/14/86/569091486.db2.gz CTBOOFUXJIVMAT-UHFFFAOYSA-N 0 1 431.583 3.963 50 0 IHAAMN COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)cc1 ZINC000006937218 569111243 /nfs/dbraw/zinc/11/12/43/569111243.db2.gz JNMDZLBHBAQUQO-HXUWFJFHSA-N 0 1 428.529 3.678 50 0 biogenic IHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(Br)cc2C)o1 ZINC000065194054 569114712 /nfs/dbraw/zinc/11/47/12/569114712.db2.gz AZTOPPIDJMUKDG-UHFFFAOYSA-N 0 1 439.335 3.872 50 0 IHAAMN COc1cccc(-n2c3nc(SCC(=O)N4CCCCC4)[nH]c(=O)c3sc2=S)c1 ZINC000016960688 569168227 /nfs/dbraw/zinc/16/82/27/569168227.db2.gz GXRBKVCUWDOUSZ-UHFFFAOYSA-N 0 1 448.595 3.618 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000017012548 569170692 /nfs/dbraw/zinc/17/06/92/569170692.db2.gz ARNNVWUCASJNPZ-UHFFFAOYSA-N 0 1 444.377 3.500 50 0 IHAAMN COc1ccccc1N1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000017112911 569174157 /nfs/dbraw/zinc/17/41/57/569174157.db2.gz VNBQMHNPLUSPSM-JOCHJYFZSA-N 0 1 442.600 3.571 50 0 IHAAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000253426673 569267396 /nfs/dbraw/zinc/26/73/96/569267396.db2.gz LYEPOMRBQZETMM-LJQANCHMSA-N 0 1 436.512 3.702 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000002380712 569291830 /nfs/dbraw/zinc/29/18/30/569291830.db2.gz YMMJRKCAGXVGCG-UHFFFAOYSA-N 0 1 436.415 3.857 50 0 IHAAMN CCOC(=O)C1C(CN(C)c2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214722 569356488 /nfs/dbraw/zinc/35/64/88/569356488.db2.gz GJFSIQMHPHYAFZ-JOCHJYFZSA-N 0 1 441.503 3.920 50 0 IHAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N(C)Cc4ccccc4)c3=O)c2c1 ZINC000020330617 569360697 /nfs/dbraw/zinc/36/06/97/569360697.db2.gz ZWPKZGYGBULBJM-UHFFFAOYSA-N 0 1 436.537 3.988 50 0 IHAAMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000095456729 569368851 /nfs/dbraw/zinc/36/88/51/569368851.db2.gz YLQOEXLCYDKTMI-SNVBAGLBSA-N 0 1 446.907 3.982 50 0 IHAAMN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CN(CCC(C)C)C3)cc1 ZINC000095466368 569370893 /nfs/dbraw/zinc/37/08/93/569370893.db2.gz XCFZUWFYEMMCEQ-UHFFFAOYSA-N 0 1 436.599 3.643 50 0 IHAAMN CC(C)CN1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398424 569399661 /nfs/dbraw/zinc/39/96/61/569399661.db2.gz GZKZGOMTQREIPV-IBGZPJMESA-N 0 1 431.646 3.669 50 0 IHAAMN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000097000464 569402864 /nfs/dbraw/zinc/40/28/64/569402864.db2.gz BUZQZGCWYZFLMM-UHFFFAOYSA-N 0 1 445.523 3.582 50 0 IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 ZINC000028305438 569409805 /nfs/dbraw/zinc/40/98/05/569409805.db2.gz WMDKVALKXSJUHF-UHFFFAOYSA-N 0 1 441.868 3.530 50 0 IHAAMN COc1ccccc1-c1cc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)n[nH]1 ZINC000056907416 569427534 /nfs/dbraw/zinc/42/75/34/569427534.db2.gz MWUFBLBMNCLEMQ-UHFFFAOYSA-N 0 1 430.512 3.984 50 0 IHAAMN Cc1cccc(N2CCN(CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000029801910 569433702 /nfs/dbraw/zinc/43/37/02/569433702.db2.gz TVALCHFFFCZIOG-XMMPIXPASA-N 0 1 441.019 3.724 50 0 IHAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415552 569434128 /nfs/dbraw/zinc/43/41/28/569434128.db2.gz NEGPRLDWJLBYPF-QHCPKHFHSA-N 0 1 437.515 3.561 50 0 IHAAMN CC1=NC(=O)N[C@@H](c2cccc(I)c2)C1C(=O)OCc1ccccc1 ZINC000004064594 569458486 /nfs/dbraw/zinc/45/84/86/569458486.db2.gz IIHWHXKZEASIPH-KRWDZBQOSA-N 0 1 448.260 3.663 50 0 IHAAMN O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC1(N2CCOCC2)CCCCC1 ZINC000032195132 569460708 /nfs/dbraw/zinc/46/07/08/569460708.db2.gz XZNHFFYMQFQXGI-UHFFFAOYSA-N 0 1 433.499 3.704 50 0 IHAAMN Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415229 569461300 /nfs/dbraw/zinc/46/13/00/569461300.db2.gz LSGWJALQGUMIRM-VMAPLMQKSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000067204786 569464538 /nfs/dbraw/zinc/46/45/38/569464538.db2.gz DSWIVDQWQVSMIC-HSZRJFAPSA-N 0 1 437.515 3.561 50 0 IHAAMN CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008945566 569489035 /nfs/dbraw/zinc/48/90/35/569489035.db2.gz BHBGHHBPPDZNRD-GOSISDBHSA-N 0 1 437.565 3.906 50 0 IHAAMN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000040114449 569489143 /nfs/dbraw/zinc/48/91/43/569489143.db2.gz CQEMCNJQNRAABH-UHFFFAOYSA-N 0 1 429.459 3.995 50 0 IHAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F ZINC000040267000 569497331 /nfs/dbraw/zinc/49/73/31/569497331.db2.gz AAOWJLXITPPMDP-IBGZPJMESA-N 0 1 430.386 3.793 50 0 IHAAMN CN1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000040386844 569500908 /nfs/dbraw/zinc/50/09/08/569500908.db2.gz PTGWLJQVZOUESG-UHFFFAOYSA-N 0 1 437.910 3.609 50 0 IHAAMN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC ZINC000009166416 569508841 /nfs/dbraw/zinc/50/88/41/569508841.db2.gz LNDYAXWWQRDPLF-UHFFFAOYSA-N 0 1 432.542 3.966 50 0 IHAAMN CCCN1c2cc(NS(=O)(=O)c3ccc(OC)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009172008 569509485 /nfs/dbraw/zinc/50/94/85/569509485.db2.gz WNJUMGBABVBRRV-UHFFFAOYSA-N 0 1 448.541 3.666 50 0 IHAAMN C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3nc(-c4cccc(F)c4)[nH]c3c1)C2=O ZINC000069980524 569526901 /nfs/dbraw/zinc/52/69/01/569526901.db2.gz VHKNOSQZLCKARV-LFPIHBKWSA-N 0 1 449.486 3.808 50 0 IHAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)OCCO2 ZINC000009414928 569532067 /nfs/dbraw/zinc/53/20/67/569532067.db2.gz FCXKPZMXGOYOKT-UHFFFAOYSA-N 0 1 432.299 3.980 50 0 IHAAMN COc1cccc2ccc([C@H]3C(NC(=O)c4ccc(Cl)cc4)C(C)=Nc4ncnn43)nc21 ZINC000009422101 569532846 /nfs/dbraw/zinc/53/28/46/569532846.db2.gz QJVRABKZJRSWJG-NRFANRHFSA-N 0 1 446.898 3.818 50 0 IHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009461310 569537021 /nfs/dbraw/zinc/53/70/21/569537021.db2.gz MUURRBLNHFDKOQ-UHFFFAOYSA-N 0 1 427.555 3.936 50 0 IHAAMN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)c(C)c1 ZINC000009540954 569545867 /nfs/dbraw/zinc/54/58/67/569545867.db2.gz GMHIOYXTADRVCC-UHFFFAOYSA-N 0 1 433.541 3.705 50 0 IHAAMN CCOC(=O)C1C(COC(=O)CCc2ccsc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000009613910 569553075 /nfs/dbraw/zinc/55/30/75/569553075.db2.gz AQKOYLYJBGJZAJ-IBGZPJMESA-N 0 1 448.928 3.749 50 0 IHAAMN CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1 ZINC000009969926 569576132 /nfs/dbraw/zinc/57/61/32/569576132.db2.gz AIHDFNKHFXPUAT-UHFFFAOYSA-N 0 1 443.550 3.617 50 0 IHAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(OC(C)C)c2)N(CCN(C)C)C1=O ZINC000010233189 569579489 /nfs/dbraw/zinc/57/94/89/569579489.db2.gz HCLYJSIJYUFXFQ-JOCHJYFZSA-N 0 1 436.508 3.696 50 0 IHAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012552181 518408635 /nfs/dbraw/zinc/40/86/35/518408635.db2.gz MBVMDIJVWSXAAV-UHFFFAOYSA-N 0 1 438.461 3.671 50 0 IHAAMN CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2 ZINC000012148917 519393966 /nfs/dbraw/zinc/39/39/66/519393966.db2.gz 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COc1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000013655772 556546325 /nfs/dbraw/zinc/54/63/25/556546325.db2.gz HJWGEUCCOJWNCX-UHFFFAOYSA-N 0 1 431.444 3.869 50 0 biogenic IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)c1 ZINC000033274576 556558822 /nfs/dbraw/zinc/55/88/22/556558822.db2.gz PDBNDJJWMLKYMZ-UHFFFAOYSA-N 0 1 444.553 3.595 50 0 IHAAMN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)(C)C)cc(Br)c1OC ZINC000016361280 556602308 /nfs/dbraw/zinc/60/23/08/556602308.db2.gz URNUATMDGNIACW-CQSZACIVSA-N 0 1 443.363 3.601 50 0 IHAAMN O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000054435395 556730771 /nfs/dbraw/zinc/73/07/71/556730771.db2.gz FYKAKABJLFRECR-UHFFFAOYSA-N 0 1 449.605 3.994 50 0 IHAAMN CCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c32)CC1 ZINC000033048362 556744721 /nfs/dbraw/zinc/74/47/21/556744721.db2.gz IIGPJHVEEZHPJT-UHFFFAOYSA-N 0 1 429.977 3.725 50 0 IHAAMN CCCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058157261 556762748 /nfs/dbraw/zinc/76/27/48/556762748.db2.gz BRUXLDJONNUTPW-UHFFFAOYSA-N 0 1 448.567 3.783 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000097940898 556810656 /nfs/dbraw/zinc/81/06/56/556810656.db2.gz PFKJGONOWAOEGB-UHFFFAOYSA-N 0 1 446.504 3.853 50 0 IHAAMN O=C1c2ccccc2C(=O)N1CCSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003416546 556815005 /nfs/dbraw/zinc/81/50/05/556815005.db2.gz IJFGKRUVJLWNAF-UHFFFAOYSA-N 0 1 429.299 3.623 50 0 IHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)[nH]c2=O)c(C)c1 ZINC000064579509 556824858 /nfs/dbraw/zinc/82/48/58/556824858.db2.gz KZBLNLNNEBFGCB-UHFFFAOYSA-N 0 1 447.513 3.502 50 0 IHAAMN Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCCC2)n1 ZINC000064799786 556827292 /nfs/dbraw/zinc/82/72/92/556827292.db2.gz BFKCSALDVHDAMV-UHFFFAOYSA-N 0 1 433.478 3.757 50 0 IHAAMN COc1ccc(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1Cl ZINC000067621134 556844858 /nfs/dbraw/zinc/84/48/58/556844858.db2.gz FVFSHWHZYIPWLI-UHFFFAOYSA-N 0 1 444.967 3.791 50 0 IHAAMN C[C@H]1CCCN(C(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CCN(C)CC2)C1 ZINC000019741980 556885535 /nfs/dbraw/zinc/88/55/35/556885535.db2.gz UMOVXZKHIQKWOT-FQEVSTJZSA-N 0 1 439.575 3.877 50 0 IHAAMN CCN1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)CC1 ZINC000019902090 556942297 /nfs/dbraw/zinc/94/22/97/556942297.db2.gz IQYHNGVYUSNANQ-OAQYLSRUSA-N 0 1 446.389 3.566 50 0 IHAAMN CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(C)CC2)cc1 ZINC000023086429 556997325 /nfs/dbraw/zinc/99/73/25/556997325.db2.gz QJVQNXJBPUUKAH-RUZDIDTESA-N 0 1 449.620 3.969 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)c(OC)c1 ZINC000032943985 557022262 /nfs/dbraw/zinc/02/22/62/557022262.db2.gz YNDBQCIKMASIAJ-ZDUSSCGKSA-N 0 1 448.566 3.742 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)c(OC)c1 ZINC000032943986 557022271 /nfs/dbraw/zinc/02/22/71/557022271.db2.gz YNDBQCIKMASIAJ-CYBMUJFWSA-N 0 1 448.566 3.742 50 0 IHAAMN Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nc(-c4cccnc4)n[nH]3)no2)c1 ZINC000033271044 557048596 /nfs/dbraw/zinc/04/85/96/557048596.db2.gz XRDFOIMSLAQUHA-UHFFFAOYSA-N 0 1 435.513 3.730 50 0 IHAAMN Cc1cccc(NC(=O)CCc2nc(CSc3nc(-c4cccnc4)n[nH]3)no2)c1C ZINC000033271042 557048629 /nfs/dbraw/zinc/04/86/29/557048629.db2.gz GTLWEWJDVGUEMG-UHFFFAOYSA-N 0 1 435.513 3.730 50 0 IHAAMN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3nc(-c4cccs4)[nH]c3c2)cc1 ZINC000048290690 557055430 /nfs/dbraw/zinc/05/54/30/557055430.db2.gz RMYIEJHKZUJWBW-UHFFFAOYSA-N 0 1 440.550 3.859 50 0 IHAAMN O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)N1CCCCCC1 ZINC000032948526 557059058 /nfs/dbraw/zinc/05/90/58/557059058.db2.gz HYBRDGBTKZWTTD-UHFFFAOYSA-N 0 1 432.596 3.999 50 0 IHAAMN COc1cccc(-c2cc(C(=O)N3CCC(NC(=O)c4cc(C)cc(C)c4)CC3)n[nH]2)c1 ZINC000049406575 557101811 /nfs/dbraw/zinc/10/18/11/557101811.db2.gz SOJSFEZKGGLALH-UHFFFAOYSA-N 0 1 432.524 3.737 50 0 IHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(OC)c4)CC3)n[nH]2)cc1 ZINC000049406698 557102153 /nfs/dbraw/zinc/10/21/53/557102153.db2.gz KCQWUBYBIXOLBU-UHFFFAOYSA-N 0 1 448.523 3.519 50 0 IHAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000025330560 557204585 /nfs/dbraw/zinc/20/45/85/557204585.db2.gz NWCLYPKKZDVATL-QFIPXVFZSA-N 0 1 432.549 3.788 50 0 IHAAMN COc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)c1 ZINC000018017004 557214037 /nfs/dbraw/zinc/21/40/37/557214037.db2.gz IEUAHDBQOIUNRB-XMMPIXPASA-N 0 1 447.535 3.636 50 0 IHAAMN COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000011635194 557217695 /nfs/dbraw/zinc/21/76/95/557217695.db2.gz WPYJSOTVZOIKDS-UHFFFAOYSA-N 0 1 449.120 3.799 50 0 IHAAMN CCOC(=O)C1CCN(Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)CC1 ZINC000002498417 557243557 /nfs/dbraw/zinc/24/35/57/557243557.db2.gz IBRDPORWNHKBFC-UHFFFAOYSA-N 0 1 449.374 3.995 50 0 IHAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000018159261 557243792 /nfs/dbraw/zinc/24/37/92/557243792.db2.gz QBRWSSZSUDHTHM-ZRBLBEILSA-N 0 1 448.450 3.981 50 0 IHAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000101148233 557262317 /nfs/dbraw/zinc/26/23/17/557262317.db2.gz QBRWSSZSUDHTHM-ZLNRFVROSA-N 0 1 448.450 3.981 50 0 IHAAMN CC(=O)Nc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101221423 557265996 /nfs/dbraw/zinc/26/59/96/557265996.db2.gz IYRVNKAGCDPRBN-ZLNRFVROSA-N 0 1 445.450 3.835 50 0 IHAAMN C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000014183663 557314186 /nfs/dbraw/zinc/31/41/86/557314186.db2.gz PXIKLHWGRJHBGD-CYFREDJKSA-N 0 1 440.609 3.963 50 0 IHAAMN CCN1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478423 557363580 /nfs/dbraw/zinc/36/35/80/557363580.db2.gz XMGUXSJULBIRLU-VWLOTQADSA-N 0 1 435.543 3.777 50 0 IHAAMN CCOC(=O)C(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034776 557416046 /nfs/dbraw/zinc/41/60/46/557416046.db2.gz GPKYJLXIGJXWTR-GFCCVEGCSA-N 0 1 445.353 3.809 50 0 IHAAMN CCOC(=O)C(=C(O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034776 557416048 /nfs/dbraw/zinc/41/60/48/557416048.db2.gz GPKYJLXIGJXWTR-GFCCVEGCSA-N 0 1 445.353 3.809 50 0 IHAAMN CCOC(=O)[C@H](C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 ZINC000103034776 557416049 /nfs/dbraw/zinc/41/60/49/557416049.db2.gz GPKYJLXIGJXWTR-GFCCVEGCSA-N 0 1 445.353 3.809 50 0 IHAAMN COc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000045660234 557545032 /nfs/dbraw/zinc/54/50/32/557545032.db2.gz UGNKWAWHUCTOEX-UHFFFAOYSA-N 0 1 430.482 3.766 50 0 IHAAMN O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002659406 562929579 /nfs/dbraw/zinc/92/95/79/562929579.db2.gz ZEPGGJQTELPHKI-UHFFFAOYSA-N 0 1 437.308 3.765 50 0 IHAAMN Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1 ZINC000006181452 562946381 /nfs/dbraw/zinc/94/63/81/562946381.db2.gz AARBXLCRZKSNHA-UHFFFAOYSA-N 0 1 439.537 3.700 50 0 IHAAMN CCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nn1 ZINC000008610086 562958115 /nfs/dbraw/zinc/95/81/15/562958115.db2.gz GNDGAEFXZWOVDI-UHFFFAOYSA-N 0 1 429.498 3.750 50 0 IHAAMN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(O)c12)c1ccccc1 ZINC000008691516 562963460 /nfs/dbraw/zinc/96/34/60/562963460.db2.gz VHJSCQSNCPYRRD-CTNGQTDRSA-N 0 1 429.863 3.957 50 0 aggregator IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009596696 562973810 /nfs/dbraw/zinc/97/38/10/562973810.db2.gz NMHLIZASBYGQSS-OAQYLSRUSA-N 0 1 439.537 3.647 50 0 IHAAMN COc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1Cl ZINC000009684549 562975459 /nfs/dbraw/zinc/97/54/59/562975459.db2.gz YYXFVNLLCOMPLU-UHFFFAOYSA-N 0 1 425.938 3.720 50 0 IHAAMN CC(C)COC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984474 568623054 /nfs/dbraw/zinc/62/30/54/568623054.db2.gz VXZNFRHZEDOISL-XZOQPEGZSA-N 0 1 432.511 3.994 50 0 IHAAMN CC(C)COC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984732 568623569 /nfs/dbraw/zinc/62/35/69/568623569.db2.gz JQEZIMAUEPLQFF-DHIUTWEWSA-N 0 1 432.511 3.994 50 0 IHAAMN Cc1csc2nc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000106172011 568625171 /nfs/dbraw/zinc/62/51/71/568625171.db2.gz FTFLKOBZRCPQIJ-QZTJIDSGSA-N 0 1 432.590 3.818 50 0 IHAAMN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(C)c1Cl ZINC000000942843 568641854 /nfs/dbraw/zinc/64/18/54/568641854.db2.gz OZJBSMPIBOAVTQ-UHFFFAOYSA-N 0 1 446.916 3.565 50 0 IHAAMN COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CCN(Cc1ccc(C(C)C)cc1)CC2 ZINC000299764526 568756197 /nfs/dbraw/zinc/75/61/97/568756197.db2.gz IQORJFWIDQPHST-UHFFFAOYSA-N 0 1 439.600 3.815 50 0 IHAAMN COc1cccc(CNCc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)c1OC ZINC000299774089 568756845 /nfs/dbraw/zinc/75/68/45/568756845.db2.gz GGNBWGOSELWQRS-UHFFFAOYSA-N 0 1 433.483 3.891 50 0 IHAAMN CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccccc3O)=C[C@]2([O-])C(F)(F)F)n1 ZINC000001419325 568791244 /nfs/dbraw/zinc/79/12/44/568791244.db2.gz KUBZHPLMZCIBGK-OZSKJFCKSA-N 0 1 427.404 3.556 50 0 IHAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000015669390 568801928 /nfs/dbraw/zinc/80/19/28/568801928.db2.gz JBAGDXILYDGJKL-UHFFFAOYSA-N 0 1 439.537 3.824 50 0 IHAAMN CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004292054 568808148 /nfs/dbraw/zinc/80/81/48/568808148.db2.gz XOEDFNHWLWTHFV-OAQYLSRUSA-N 0 1 425.529 3.732 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 ZINC000001516959 568839905 /nfs/dbraw/zinc/83/99/05/568839905.db2.gz ZBYLLTGOPISCBJ-UHFFFAOYSA-N 0 1 446.916 3.565 50 0 IHAAMN Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1 ZINC000006181530 568869078 /nfs/dbraw/zinc/86/90/78/568869078.db2.gz KZSDRFBMAXLZNB-UHFFFAOYSA-N 0 1 441.553 3.722 50 0 IHAAMN CC(C)Cc1nc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 ZINC000575444537 568869969 /nfs/dbraw/zinc/86/99/69/568869969.db2.gz WZGVPZWOTDOGRY-QGZVFWFLSA-N 0 1 440.548 3.569 50 0 IHAAMN CC(C)Cc1n[nH]c(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n1 ZINC000575444537 568869970 /nfs/dbraw/zinc/86/99/70/568869970.db2.gz WZGVPZWOTDOGRY-QGZVFWFLSA-N 0 1 440.548 3.569 50 0 IHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000013004630 568898883 /nfs/dbraw/zinc/89/88/83/568898883.db2.gz LDKXEQSFPJKFDG-UHFFFAOYSA-N 0 1 428.514 3.641 50 0 IHAAMN COc1ccc([N+](=O)[O-])cc1C=NN=c1nc(Nc2ccccc2)[nH]c(N2CCCCC2)n1 ZINC000252615661 568926421 /nfs/dbraw/zinc/92/64/21/568926421.db2.gz JUMNNLCSWAOSBY-UHFFFAOYSA-N 0 1 448.487 3.968 50 0 IHAAMN COc1cc(Nc2ncccc2S(=O)(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000064757604 568952096 /nfs/dbraw/zinc/95/20/96/568952096.db2.gz XYCPHGKBOSNWSW-UHFFFAOYSA-N 0 1 433.461 3.791 50 0 IHAAMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)[nH+]c(N3CCCCC3)n2)cc1 ZINC000064801910 568961877 /nfs/dbraw/zinc/96/18/77/568961877.db2.gz CUJIUODIBLVRKI-UHFFFAOYSA-N 0 1 442.545 3.925 50 0 IHAAMN O=C(c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3)N1CCN(C2CCCC2)CC1 ZINC000097078063 568978813 /nfs/dbraw/zinc/97/88/13/568978813.db2.gz QWTAAUNUEDMOEV-UHFFFAOYSA-N 0 1 434.584 3.553 50 0 IHAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679110 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/nfs/dbraw/zinc/41/24/65/525412465.db2.gz AZETWYHWYYGZEA-UHFFFAOYSA-N 0 1 431.583 3.730 50 0 IHAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(Br)cc2)C(=O)N3)cc1 ZINC000020728115 525827343 /nfs/dbraw/zinc/82/73/43/525827343.db2.gz WNBPYICPFWWDNY-OAHLLOKOSA-N 0 1 426.274 3.538 50 0 IHAAMN O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000012159929 526576454 /nfs/dbraw/zinc/57/64/54/526576454.db2.gz XRBQKRAVTGVJJZ-ZJSXRUAMSA-N 0 1 443.588 3.812 50 0 IHAAMN O=c1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Br)cn12 ZINC000012567477 527476046 /nfs/dbraw/zinc/47/60/46/527476046.db2.gz CGFCZLKHVCWCMD-QGZVFWFLSA-N 0 1 442.313 3.565 50 0 IHAAMN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000012526426 527496694 /nfs/dbraw/zinc/49/66/94/527496694.db2.gz OEGPSGDBYNBCOT-UHFFFAOYSA-N 0 1 429.723 3.796 50 0 IHAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 ZINC000012997872 535419035 /nfs/dbraw/zinc/41/90/35/535419035.db2.gz MAELSZJMRWNZOQ-UHFFFAOYSA-N 0 1 436.581 3.619 50 0 IHAAMN CCCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C1CC1 ZINC000034831357 555912699 /nfs/dbraw/zinc/91/26/99/555912699.db2.gz VFSWDBALNMDSEL-UHFFFAOYSA-N 0 1 438.620 3.797 50 0 IHAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1cccnc1 ZINC000034836758 555914522 /nfs/dbraw/zinc/91/45/22/555914522.db2.gz XQTZFPHZGCWFCB-UHFFFAOYSA-N 0 1 432.616 3.912 50 0 IHAAMN CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000008626860 556193933 /nfs/dbraw/zinc/19/39/33/556193933.db2.gz WJQOFFYUMRXVCV-INIZCTEOSA-N 0 1 435.324 3.764 50 0 biogenic IHAAMN O=C(Cc1cccnc1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011667862 556346503 /nfs/dbraw/zinc/34/65/03/556346503.db2.gz UQOBECXVFLYRMD-QHCPKHFHSA-N 0 1 425.548 3.683 50 0 IHAAMN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1 ZINC000011789776 556355260 /nfs/dbraw/zinc/35/52/60/556355260.db2.gz RYXGTXZXFKJKCG-QVKFZJNVSA-N 0 1 436.462 3.936 50 0 IHAAMN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)CN3CCCCCC3)cc2)n1 ZINC000011842158 556365977 /nfs/dbraw/zinc/36/59/77/556365977.db2.gz DEYQGKKEZMVIQY-QHCPKHFHSA-N 0 1 437.588 3.685 50 0 IHAAMN CCn1nc(C)cc1C(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012030889 556388825 /nfs/dbraw/zinc/38/88/25/556388825.db2.gz JHLPMEGGCZKCCP-JOCHJYFZSA-N 0 1 442.579 3.884 50 0 IHAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000012057970 556394826 /nfs/dbraw/zinc/39/48/26/556394826.db2.gz JBVMFYOCVGFXRQ-UHFFFAOYSA-N 0 1 441.547 3.785 50 0 IHAAMN O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4)N4CCCCC4)c3=O)c2N1 ZINC000032624518 556411454 /nfs/dbraw/zinc/41/14/54/556411454.db2.gz VCBATQVTWJOUOS-OAHLLOKOSA-N 0 1 426.567 3.729 50 0 IHAAMN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000027977688 556438102 /nfs/dbraw/zinc/43/81/02/556438102.db2.gz RWQDACRHWPDSOT-KRWDZBQOSA-N 0 1 439.610 3.824 50 0 IHAAMN COc1cc(CCC2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000014777783 556445461 /nfs/dbraw/zinc/44/54/61/556445461.db2.gz KDZIVKKYRZBIKC-UHFFFAOYSA-N 0 1 428.548 3.846 50 0 IHAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000014983472 556471619 /nfs/dbraw/zinc/47/16/19/556471619.db2.gz DEOXZXFYDSVGBN-GOSISDBHSA-N 0 1 425.554 3.699 50 0 IHAAMN C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C/c1ccccc1)CC2 ZINC000014992347 556475476 /nfs/dbraw/zinc/47/54/76/556475476.db2.gz ZVURMIMNMCSOSV-LNYGYFNRSA-N 0 1 429.568 3.660 50 0 IHAAMN O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000015064127 556491673 /nfs/dbraw/zinc/49/16/73/556491673.db2.gz ZQKAJOHWZNHXQM-NRFANRHFSA-N 0 1 427.911 3.686 50 0 IHAAMN O=C(NC[C@H]1CCCN(Cc2cccn2-c2ncccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015071109 556495909 /nfs/dbraw/zinc/49/59/09/556495909.db2.gz FMRUIZSOATWURJ-LJQANCHMSA-N 0 1 449.986 3.981 50 0 IHAAMN CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)[C@H]1CCN(C)C1 ZINC000034921964 556586546 /nfs/dbraw/zinc/58/65/46/556586546.db2.gz VIWKYYRUYWTUFW-INIZCTEOSA-N 0 1 449.486 3.531 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341010 556596820 /nfs/dbraw/zinc/59/68/20/556596820.db2.gz TYWBYJCSIFHHDM-QHCPKHFHSA-N 0 1 440.975 3.664 50 0 IHAAMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000032986396 556605753 /nfs/dbraw/zinc/60/57/53/556605753.db2.gz IGSHQESBBUHXRH-SFHVURJKSA-N 0 1 428.945 3.873 50 0 IHAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000016825189 556645265 /nfs/dbraw/zinc/64/52/65/556645265.db2.gz VAXCGFODXVQFSA-NSHDSACASA-N 0 1 447.442 3.956 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000138721491 556719500 /nfs/dbraw/zinc/71/95/00/556719500.db2.gz FBYKKEJUYQCEDB-YTFSRNRJSA-N 0 1 448.450 3.894 50 0 IHAAMN CN(C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080042 556756683 /nfs/dbraw/zinc/75/66/83/556756683.db2.gz PFLAUIRUKZRSSJ-MOPGFXCFSA-N 0 1 434.581 3.705 50 0 IHAAMN COc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)c2ccccc2)cc1 ZINC000058251608 556775837 /nfs/dbraw/zinc/77/58/37/556775837.db2.gz UUJYZWIGAVDIOR-AOMKIAJQSA-N 0 1 428.492 3.596 50 0 IHAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000097940858 556811527 /nfs/dbraw/zinc/81/15/27/556811527.db2.gz AWJWEUIPAWVOOG-UHFFFAOYSA-N 0 1 428.514 3.632 50 0 IHAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F ZINC000003433683 556815494 /nfs/dbraw/zinc/81/54/94/556815494.db2.gz AHKZJNMJLCLGAG-UHFFFAOYSA-N 0 1 446.431 3.561 50 0 IHAAMN Cc1nonc1[C@@H]1CCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000067472862 556842743 /nfs/dbraw/zinc/84/27/43/556842743.db2.gz IOTRAVIGNVEOPV-QHCPKHFHSA-N 0 1 447.539 3.794 50 0 IHAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3cc(CC(C)C)[nH]n3)CC2)c1 ZINC000067726771 556846268 /nfs/dbraw/zinc/84/62/68/556846268.db2.gz UFHZRAOTKFPFGL-UHFFFAOYSA-N 0 1 440.588 3.896 50 0 IHAAMN O=C(NCCc1ccccc1)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071288 556851646 /nfs/dbraw/zinc/85/16/46/556851646.db2.gz MZCPWRYPWSTSTQ-MRXNPFEDSA-N 0 1 427.346 3.901 50 0 IHAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126146 556866686 /nfs/dbraw/zinc/86/66/86/556866686.db2.gz UWWCSXOLBYWHRR-JOCHJYFZSA-N 0 1 446.595 3.925 50 0 IHAAMN COc1ccccc1N1CCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019731847 556876749 /nfs/dbraw/zinc/87/67/49/556876749.db2.gz JCRGONLOGVHSQU-IEFUJUGPSA-N 0 1 428.617 3.801 50 0 IHAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)[nH]n2)cc1S(=O)(=O)N(C)C ZINC000020096155 556979738 /nfs/dbraw/zinc/97/97/38/556979738.db2.gz WCTGFKWSRXWQEN-UHFFFAOYSA-N 0 1 448.932 3.550 50 0 IHAAMN O[C@H](COc1ccc(Br)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020137866 556988672 /nfs/dbraw/zinc/98/86/72/556988672.db2.gz OLXHJRBQZQLCPW-SFHVURJKSA-N 0 1 425.754 3.664 50 0 IHAAMN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000048345017 557071817 /nfs/dbraw/zinc/07/18/17/557071817.db2.gz HCNXHAAQEFNLEU-HPRQGZMESA-N 0 1 436.980 3.861 50 0 IHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048368885 557076013 /nfs/dbraw/zinc/07/60/13/557076013.db2.gz XIHUAXIBNDDGOM-UHFFFAOYSA-N 0 1 427.555 3.503 50 0 IHAAMN CC1CCN(CCNS(=O)(=O)c2ccccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000033307190 557086386 /nfs/dbraw/zinc/08/63/86/557086386.db2.gz PMLHJVJGVBZIED-UHFFFAOYSA-N 0 1 444.532 3.553 50 0 IHAAMN O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000049406784 557102138 /nfs/dbraw/zinc/10/21/38/557102138.db2.gz LZZXEDNSQGENFV-UHFFFAOYSA-N 0 1 440.906 3.833 50 0 IHAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1)c1cccc(F)c1 ZINC000049406792 557102262 /nfs/dbraw/zinc/10/22/62/557102262.db2.gz WUSIVZQWHVNEFZ-UHFFFAOYSA-N 0 1 426.879 3.904 50 0 IHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000024244608 557142091 /nfs/dbraw/zinc/14/20/91/557142091.db2.gz LIHOYHZRTYUESX-UHFFFAOYSA-N 0 1 440.308 3.657 50 0 IHAAMN COc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1S(=O)(=O)NC(C)C ZINC000024923668 557179010 /nfs/dbraw/zinc/17/90/10/557179010.db2.gz KILJMCZDLBEEPB-UHFFFAOYSA-N 0 1 444.557 3.808 50 0 IHAAMN CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 ZINC000025036889 557189976 /nfs/dbraw/zinc/18/99/76/557189976.db2.gz OVUBRSQLPSWVLX-QHCPKHFHSA-N 0 1 448.548 3.689 50 0 IHAAMN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1OC ZINC000011614662 557211304 /nfs/dbraw/zinc/21/13/04/557211304.db2.gz DNPAJIITEWMKKT-LJQANCHMSA-N 0 1 442.899 3.570 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1 ZINC000027580833 557266454 /nfs/dbraw/zinc/26/64/54/557266454.db2.gz PVYAFRZLWOTEQJ-UHFFFAOYSA-N 0 1 449.492 3.802 50 0 IHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000027664165 557270358 /nfs/dbraw/zinc/27/03/58/557270358.db2.gz MBNYXWWYELYPEF-XMMPIXPASA-N 0 1 441.443 3.962 50 0 IHAAMN CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3O)=NN2C)cc1 ZINC000101767482 557295817 /nfs/dbraw/zinc/29/58/17/557295817.db2.gz SHYSLHZGGTWPIT-LJQANCHMSA-N 0 1 438.915 3.789 50 0 IHAAMN COc1ccc(Br)cc1/C=C/C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000013138158 557298914 /nfs/dbraw/zinc/29/89/14/557298914.db2.gz LWDSPBXGJWEFES-VMPITWQZSA-N 0 1 437.378 3.622 50 0 IHAAMN Brc1cccc(-c2n[nH]c(-c3n[nH]cc3NCc3ccc4c(c3)OCO4)n2)c1 ZINC000033829719 557377596 /nfs/dbraw/zinc/37/75/96/557377596.db2.gz UKOLBAXSNFAIHG-UHFFFAOYSA-N 0 1 439.273 3.965 50 0 IHAAMN CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c1=O ZINC000024022784 557391147 /nfs/dbraw/zinc/39/11/47/557391147.db2.gz CJSAMEQKHINHGH-VWLOTQADSA-N 0 1 433.552 3.802 50 0 IHAAMN COC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318310 557469906 /nfs/dbraw/zinc/46/99/06/557469906.db2.gz PAIWEEIITWUZLE-DEOSSOPVSA-N 0 1 433.552 3.731 50 0 IHAAMN COc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000225501220 557731172 /nfs/dbraw/zinc/73/11/72/557731172.db2.gz XIKNOTNPZQERER-UHFFFAOYSA-N 0 1 436.493 3.933 50 0 IHAAMN COC(=O)[C@@H]1CCCN1C1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000014985739 557826865 /nfs/dbraw/zinc/82/68/65/557826865.db2.gz SQLHRSGBGKQYMX-QHCPKHFHSA-N 0 1 437.540 3.554 50 0 IHAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000229251122 557831947 /nfs/dbraw/zinc/83/19/47/557831947.db2.gz YXULWJUBTNSZEX-YTFSRNRJSA-N 0 1 430.460 3.755 50 0 IHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000229251122 557831950 /nfs/dbraw/zinc/83/19/50/557831950.db2.gz YXULWJUBTNSZEX-YTFSRNRJSA-N 0 1 430.460 3.755 50 0 IHAAMN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCN1CCCCCC1 ZINC000015944434 563020271 /nfs/dbraw/zinc/02/02/71/563020271.db2.gz GVUGEKWJLJBSME-GDLZYMKVSA-N 0 1 437.993 3.544 50 0 IHAAMN C[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000016842851 563021018 /nfs/dbraw/zinc/02/10/18/563021018.db2.gz GVSOIVKMMKVGQB-SFHVURJKSA-N 0 1 439.581 3.906 50 0 IHAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985205 568623623 /nfs/dbraw/zinc/62/36/23/568623623.db2.gz ATMVDXRQDKRHPM-ISKFKSNPSA-N 0 1 438.499 3.992 50 0 IHAAMN CSc1ccc(-c2ccc(C(=O)[O-])c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000299794794 568758013 /nfs/dbraw/zinc/75/80/13/568758013.db2.gz KOXHISODUGVMKF-KRWDZBQOSA-N 0 1 441.597 3.842 50 0 IHAAMN COc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)cc1Br ZINC000001513469 568839362 /nfs/dbraw/zinc/83/93/62/568839362.db2.gz FGIJWMPUUUCFDO-GOSISDBHSA-N 0 1 431.286 3.829 50 0 IHAAMN CN(C)S(=O)(=O)c1cc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000018935278 568894532 /nfs/dbraw/zinc/89/45/32/568894532.db2.gz HNARBPHPTVNIDX-LJQANCHMSA-N 0 1 435.977 3.538 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000245329040 568915239 /nfs/dbraw/zinc/91/52/39/568915239.db2.gz XCJDYDWRJGYROE-HCXYKTFWSA-N 0 1 447.293 3.968 50 0 IHAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@H]2CCCN21 ZINC000248340257 568919316 /nfs/dbraw/zinc/91/93/16/568919316.db2.gz UOUDTJKJGXFWJA-LWIATZKVSA-N 0 1 449.938 3.696 50 0 IHAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000016534171 568920621 /nfs/dbraw/zinc/92/06/21/568920621.db2.gz XBUPPFSFHMZYCU-NVMNQCDNSA-N 0 1 444.825 3.911 50 0 IHAAMN COc1cccc(CN(C[C@@H](O)COCC(C)C)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146492 568962704 /nfs/dbraw/zinc/96/27/04/568962704.db2.gz VSUOEWAHGMWLOZ-VWNXMTODSA-N 0 1 426.557 3.724 50 0 IHAAMN CCn1c2c(C(=O)Nc3ccc(C)cc3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835973 568969181 /nfs/dbraw/zinc/96/91/81/568969181.db2.gz LUNXWKIJGUVQEB-UHFFFAOYSA-N 0 1 441.535 3.635 50 0 IHAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](C)O ZINC000036306021 568995331 /nfs/dbraw/zinc/99/53/31/568995331.db2.gz NWYDEUCEFLAJGX-SFHVURJKSA-N 0 1 425.529 3.717 50 0 IHAAMN CCC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036309998 568996441 /nfs/dbraw/zinc/99/64/41/568996441.db2.gz XKQXBFCDSGDCQY-QUCCMNQESA-N 0 1 446.613 3.744 50 0 IHAAMN COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COC(C)C 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526810881 /nfs/dbraw/zinc/81/08/81/526810881.db2.gz HCNDJPHLJOKKKJ-UHFFFAOYSA-N 0 1 445.567 3.937 50 0 IHAAMN Cn1nc2nc(N3CCN(Cc4ccccc4)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929774 527563304 /nfs/dbraw/zinc/56/33/04/527563304.db2.gz YEPJAGJRIKRXQW-UHFFFAOYSA-N 0 1 433.947 3.588 50 0 IHAAMN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000006287872 536633594 /nfs/dbraw/zinc/63/35/94/536633594.db2.gz QVZAPPZDXUXYLW-XCVCLJGOSA-N 0 1 430.346 3.861 50 0 IHAAMN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000913101 555582771 /nfs/dbraw/zinc/58/27/71/555582771.db2.gz BXRJPUFWPKJPOD-ZFWWWQNUSA-N 0 1 441.340 3.807 50 0 IHAAMN CCOC(=O)C1C(CNc2ccc(C)c(Cl)c2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001422880 555695528 /nfs/dbraw/zinc/69/55/28/555695528.db2.gz QGBIPJSKHPRBEM-FQEVSTJZSA-N 0 1 443.887 3.660 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1 ZINC000002779480 555819070 /nfs/dbraw/zinc/81/90/70/555819070.db2.gz HXMZZKBKVUTTNA-UHFFFAOYSA-N 0 1 447.314 3.601 50 0 IHAAMN CCOC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000003103373 555887054 /nfs/dbraw/zinc/88/70/54/555887054.db2.gz RGTJMRHNGKZOLR-IBGZPJMESA-N 0 1 437.443 3.889 50 0 IHAAMN CCc1nn(-c2cccc(C)c2)c(N2CCN(C)CC2)c1CN(CC)Cc1cccn1C ZINC000034836728 555914493 /nfs/dbraw/zinc/91/44/93/555914493.db2.gz CZYSPTXNYILOOU-UHFFFAOYSA-N 0 1 434.632 3.856 50 0 IHAAMN CC(C)Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)n[nH]1 ZINC000011784669 556352820 /nfs/dbraw/zinc/35/28/20/556352820.db2.gz ADMAMVLVQIIRAL-NRFANRHFSA-N 0 1 447.583 3.691 50 0 IHAAMN CCc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCOC)cc1 ZINC000011789755 556355361 /nfs/dbraw/zinc/35/53/61/556355361.db2.gz SBNOIRWOSYBCOG-KNQAVFIVSA-N 0 1 438.597 3.623 50 0 IHAAMN O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032802752 556365123 /nfs/dbraw/zinc/36/51/23/556365123.db2.gz KBUJGUMENUAJDA-DEOSSOPVSA-N 0 1 428.492 3.965 50 0 IHAAMN C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 ZINC000014169652 556380873 /nfs/dbraw/zinc/38/08/73/556380873.db2.gz ITVOIDOZPHEATJ-INIZCTEOSA-N 0 1 429.567 3.863 50 0 IHAAMN O=C([C@H]1CC12CCN(Cc1ccc3nsnc3c1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012080223 556398636 /nfs/dbraw/zinc/39/86/36/556398636.db2.gz LXBBQKNQNFLVBX-OAQYLSRUSA-N 0 1 447.608 3.642 50 0 IHAAMN Cc1[nH]c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nc1Cc1ccccc1 ZINC000014774690 556445163 /nfs/dbraw/zinc/44/51/63/556445163.db2.gz HKCVKKDSCPSEHQ-UHFFFAOYSA-N 0 1 442.629 3.552 50 0 IHAAMN COc1ccccc1NC(=O)Cc1noc(CSc2n[nH]c(CCC3CCCC3)n2)n1 ZINC000014805662 556447175 /nfs/dbraw/zinc/44/71/75/556447175.db2.gz DYIGDLLOGDWMOG-UHFFFAOYSA-N 0 1 442.545 3.793 50 0 IHAAMN COc1ccccc1NC(=O)Cc1noc(CSc2nc(CCC3CCCC3)n[nH]2)n1 ZINC000014805662 556447180 /nfs/dbraw/zinc/44/71/80/556447180.db2.gz DYIGDLLOGDWMOG-UHFFFAOYSA-N 0 1 442.545 3.793 50 0 IHAAMN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc3c2OCO3)CC1)c1ccccc1 ZINC000014973274 556467290 /nfs/dbraw/zinc/46/72/90/556467290.db2.gz FPYPKJIMMNNYBL-XMMPIXPASA-N 0 1 448.523 3.775 50 0 IHAAMN COc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000015026326 556488750 /nfs/dbraw/zinc/48/87/50/556488750.db2.gz NJVAGXTWGNSXQH-UHFFFAOYSA-N 0 1 426.494 3.666 50 0 IHAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000016012574 556574234 /nfs/dbraw/zinc/57/42/34/556574234.db2.gz AUHXIBMFMKPKAK-ORGXJRBJSA-N 0 1 444.318 3.574 50 0 IHAAMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)c2)c1 ZINC000060156563 556625458 /nfs/dbraw/zinc/62/54/58/556625458.db2.gz BSMWRQOIBUXZLF-FQEVSTJZSA-N 0 1 443.613 3.954 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000017012448 556652774 /nfs/dbraw/zinc/65/27/74/556652774.db2.gz LCXWIGXTPQQPHH-UHFFFAOYSA-N 0 1 433.478 3.757 50 0 IHAAMN CCc1ccc(N2NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 ZINC000000678214 556682259 /nfs/dbraw/zinc/68/22/59/556682259.db2.gz JCLZLCWJPWYQQZ-QGOAFFKASA-N 0 1 448.500 4.000 50 0 IHAAMN COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@]2([O-])C(F)(F)F)n1 ZINC000247811281 556686122 /nfs/dbraw/zinc/68/61/22/556686122.db2.gz CRGDPZWFEPSJKV-JCGVRSQUSA-N 0 1 425.432 3.941 50 0 IHAAMN COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 ZINC000018220129 556687674 /nfs/dbraw/zinc/68/76/74/556687674.db2.gz MCAGIJSYMKBQQQ-QHCPKHFHSA-N 0 1 436.552 3.989 50 0 IHAAMN CC(=O)Nc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137568852 556697304 /nfs/dbraw/zinc/69/73/04/556697304.db2.gz IYRVNKAGCDPRBN-YTFSRNRJSA-N 0 1 445.450 3.835 50 0 IHAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 ZINC000013696603 556712266 /nfs/dbraw/zinc/71/22/66/556712266.db2.gz NHTPINZVJRCCSA-UHFFFAOYSA-N 0 1 426.494 3.909 50 0 IHAAMN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055310549 556740175 /nfs/dbraw/zinc/74/01/75/556740175.db2.gz KZKKXIJAPPAMKB-HSZRJFAPSA-N 0 1 431.584 3.548 50 0 IHAAMN O=S(=O)(CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000057993499 556751438 /nfs/dbraw/zinc/75/14/38/556751438.db2.gz TVEYDMIUFMITQL-UHFFFAOYSA-N 0 1 432.549 3.557 50 0 IHAAMN COCC[N@@H+]1CCc2nc(SCc3nc(-c4ccc(C)cc4)oc3C)[n-]c(=O)c2C1 ZINC000033141644 556878038 /nfs/dbraw/zinc/87/80/38/556878038.db2.gz OXWLXXOVGGRUMW-UHFFFAOYSA-N 0 1 426.542 3.751 50 0 IHAAMN COCC[N@H+]1CCc2nc(SCc3nc(-c4ccc(C)cc4)oc3C)[n-]c(=O)c2C1 ZINC000033141644 556878041 /nfs/dbraw/zinc/87/80/41/556878041.db2.gz OXWLXXOVGGRUMW-UHFFFAOYSA-N 0 1 426.542 3.751 50 0 IHAAMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000097136689 556991634 /nfs/dbraw/zinc/99/16/34/556991634.db2.gz XMXDIPNGQPLMGB-UHFFFAOYSA-N 0 1 427.298 3.974 50 0 IHAAMN CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1N1CCCC1 ZINC000097163900 556994272 /nfs/dbraw/zinc/99/42/72/556994272.db2.gz OUBHMPWIIJGZJR-KBPBESRZSA-N 0 1 428.929 3.559 50 0 IHAAMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000022935617 557052367 /nfs/dbraw/zinc/05/23/67/557052367.db2.gz SGZFTMDJOYVVIA-UHFFFAOYSA-N 0 1 430.593 3.938 50 0 IHAAMN COc1cccc(-c2nc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)s2)c1 ZINC000022935599 557052421 /nfs/dbraw/zinc/05/24/21/557052421.db2.gz LEQVGWYNWCFSJR-UHFFFAOYSA-N 0 1 442.629 3.807 50 0 IHAAMN O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)[NH2+]COCc1ccccc1 ZINC000082046921 557056537 /nfs/dbraw/zinc/05/65/37/557056537.db2.gz XWNAJKDUOSYULO-DEOSSOPVSA-N 0 1 446.503 3.742 50 0 IHAAMN Cc1cccc(CN2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 ZINC000023029429 557058418 /nfs/dbraw/zinc/05/84/18/557058418.db2.gz LEFQUVWNLQJNIN-UHFFFAOYSA-N 0 1 441.988 3.870 50 0 IHAAMN CCCN1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)CC1 ZINC000023477228 557093833 /nfs/dbraw/zinc/09/38/33/557093833.db2.gz LPCKJVPGUBXEDW-UHFFFAOYSA-N 0 1 435.977 3.821 50 0 IHAAMN Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)n[nH]2)c(C)c1 ZINC000049406670 557101890 /nfs/dbraw/zinc/10/18/90/557101890.db2.gz WAOLQPIRJMQSIB-UHFFFAOYSA-N 0 1 445.567 3.794 50 0 IHAAMN COc1ccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(C)cc4C)[nH]n3)CC2)cc1 ZINC000049406664 557101926 /nfs/dbraw/zinc/10/19/26/557101926.db2.gz GGCRQQDWYKAGGS-UHFFFAOYSA-N 0 1 432.524 3.737 50 0 IHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)n[nH]2)cc1 ZINC000049406692 557102271 /nfs/dbraw/zinc/10/22/71/557102271.db2.gz HADFHCMTESGHQT-UHFFFAOYSA-N 0 1 432.524 3.818 50 0 IHAAMN COc1ccc(OC)c([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000017722032 557112792 /nfs/dbraw/zinc/11/27/92/557112792.db2.gz VQCOQBCTHBUVPH-ZLNRFVROSA-N 0 1 448.450 3.894 50 0 IHAAMN C[C@@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000024572646 557151378 /nfs/dbraw/zinc/15/13/78/557151378.db2.gz QWEPIRRBZOQCGP-AMGIVPHBSA-N 0 1 435.612 3.519 50 0 IHAAMN COc1ccc([C@@H](CNC(=O)CSc2nnc(NC3CC3)s2)N2CCCCC2)cc1 ZINC000024889994 557177003 /nfs/dbraw/zinc/17/70/03/557177003.db2.gz AZEPZOSBIVBNCE-GOSISDBHSA-N 0 1 447.630 3.557 50 0 IHAAMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000024968848 557183345 /nfs/dbraw/zinc/18/33/45/557183345.db2.gz RPIQMTJEHMQGKP-HZPDHXFCSA-N 0 1 444.576 3.823 50 0 IHAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000011635201 557217502 /nfs/dbraw/zinc/21/75/02/557217502.db2.gz YCBDOYOJADHPTI-UHFFFAOYSA-N 0 1 448.136 3.971 50 0 IHAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1Cl ZINC000051316806 557465134 /nfs/dbraw/zinc/46/51/34/557465134.db2.gz WZNBCOIDBWUMBD-UHFFFAOYSA-N 0 1 447.854 3.771 50 0 IHAAMN C[C@@H]1CN(Cc2ccc(CNC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)C[C@H](C)O1 ZINC000229580016 557832793 /nfs/dbraw/zinc/83/27/93/557832793.db2.gz FLDPUDIBDQLUPU-YYDVJCTNSA-N 0 1 435.568 3.503 50 0 IHAAMN CCn1c2ccccc2n(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1=O ZINC000025037108 557847715 /nfs/dbraw/zinc/84/77/15/557847715.db2.gz ZTXBLPIVOOVSMI-DEOSSOPVSA-N 0 1 425.492 3.605 50 0 IHAAMN COc1cc(NC(=O)CCCn2c(=O)c3ccccc3[nH]c2=S)cc(OC)c1OC ZINC000002971801 562931332 /nfs/dbraw/zinc/93/13/32/562931332.db2.gz 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CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020678073 521629481 /nfs/dbraw/zinc/62/94/81/521629481.db2.gz XVDPUOSUOVEBJM-UHFFFAOYSA-N 0 1 449.599 3.910 50 0 IHAAMN CCc1[nH]nc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c1C ZINC000012447077 522132340 /nfs/dbraw/zinc/13/23/40/522132340.db2.gz ROCVGNDDDIGUHM-OAQYLSRUSA-N 0 1 442.579 3.953 50 0 IHAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000020716987 522375411 /nfs/dbraw/zinc/37/54/11/522375411.db2.gz ZRFGYEOLMPCITA-VOZBZGINSA-N 0 1 439.343 3.961 50 0 IHAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012569437 522415296 /nfs/dbraw/zinc/41/52/96/522415296.db2.gz SQROFOUDLLPGNC-UHFFFAOYSA-N 0 1 436.965 3.699 50 0 IHAAMN CC[C@@H](O)CN(CCN1CCOCC1)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000022584473 522989468 /nfs/dbraw/zinc/98/94/68/522989468.db2.gz SDRSPBVQGDOULT-RUZDIDTESA-N 0 1 427.633 3.739 50 0 IHAAMN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)C[C@H]2COCCO2)cc1F ZINC000012430548 523245138 /nfs/dbraw/zinc/24/51/38/523245138.db2.gz KSWBXIXIVUNVSZ-FQEVSTJZSA-N 0 1 425.504 3.843 50 0 IHAAMN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326957 523356633 /nfs/dbraw/zinc/35/66/33/523356633.db2.gz WHTFOQQOUHODFZ-SFHVURJKSA-N 0 1 444.373 3.758 50 0 IHAAMN CCn1ccnc1CN(C)C(=O)c1cc(C)ccc1OC1CCN(Cc2ccncc2)CC1 ZINC000012445960 523525680 /nfs/dbraw/zinc/52/56/80/523525680.db2.gz YOUIVODOFJTIJC-UHFFFAOYSA-N 0 1 447.583 3.922 50 0 IHAAMN COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(C)C ZINC000020727483 523611022 /nfs/dbraw/zinc/61/10/22/523611022.db2.gz LCCQVBGVFQQFLS-RDJZCZTQSA-N 0 1 425.316 3.571 50 0 IHAAMN CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000012617983 523859780 /nfs/dbraw/zinc/85/97/80/523859780.db2.gz GWSGJTGFFHFJIO-GOSISDBHSA-N 0 1 435.597 3.859 50 0 IHAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl ZINC000020714514 523893249 /nfs/dbraw/zinc/89/32/49/523893249.db2.gz AAVUWMPENOWAJX-MAUKXSAKSA-N 0 1 439.343 3.961 50 0 IHAAMN CN1CCN([C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022767217 523921134 /nfs/dbraw/zinc/92/11/34/523921134.db2.gz GEFKBJSPHUDPGM-HSZRJFAPSA-N 0 1 441.622 3.682 50 0 IHAAMN COc1ccc(CCC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)cc1Br ZINC000069484143 523924359 /nfs/dbraw/zinc/92/43/59/523924359.db2.gz YTPKNJJEBPLIBQ-IBGZPJMESA-N 0 1 429.318 3.723 50 0 IHAAMN Cc1ccc(CC(=O)Nc2ccc3nc(N4CCC[N@H+](C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000021886117 524275145 /nfs/dbraw/zinc/27/51/45/524275145.db2.gz VQRXUSJGWNDGSX-UHFFFAOYSA-N 0 1 432.524 3.565 50 0 IHAAMN COc1ccc(NC(=O)/C=C\c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cn1 ZINC000033528076 524453139 /nfs/dbraw/zinc/45/31/39/524453139.db2.gz OSWJSZMEUBXIPX-LCYFTJDESA-N 0 1 439.493 3.552 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1OC ZINC000012560500 525077657 /nfs/dbraw/zinc/07/76/57/525077657.db2.gz YYLGQBVHOXOEDC-UHFFFAOYSA-N 0 1 427.404 3.709 50 0 IHAAMN Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086402 525324617 /nfs/dbraw/zinc/32/46/17/525324617.db2.gz FATXIGPOXWFLNW-XMMPIXPASA-N 0 1 437.971 3.901 50 0 IHAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2OC)N2CCCCC2)cc1 ZINC000012783083 525359432 /nfs/dbraw/zinc/35/94/32/525359432.db2.gz VJSIXQKDACETLN-FQEVSTJZSA-N 0 1 428.529 3.678 50 0 IHAAMN Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)ccc1F ZINC000012536015 525421806 /nfs/dbraw/zinc/42/18/06/525421806.db2.gz BLFZLZAPOFPDKJ-UHFFFAOYSA-N 0 1 447.576 3.929 50 0 IHAAMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)c1 ZINC000022822114 526247767 /nfs/dbraw/zinc/24/77/67/526247767.db2.gz GVETUKFEZXDAOM-UHFFFAOYSA-N 0 1 449.599 3.770 50 0 IHAAMN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000012476958 526730118 /nfs/dbraw/zinc/73/01/18/526730118.db2.gz ZYRLZQMITJQSIT-UHFFFAOYSA-N 0 1 437.462 3.740 50 0 IHAAMN O=C1CSc2sc3c(ncn(C[C@@H](c4cccs4)N4CCCCC4)c3=O)c2N1 ZINC000035671615 527018018 /nfs/dbraw/zinc/01/80/18/527018018.db2.gz DZXCCMKINDNGGH-LBPRGKRZSA-N 0 1 432.596 3.791 50 0 IHAAMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCCN1CCOCC1)c1ccccc1 ZINC000022038152 527104380 /nfs/dbraw/zinc/10/43/80/527104380.db2.gz QAFLTAQEIBOFBA-IBGZPJMESA-N 0 1 441.881 3.960 50 0 IHAAMN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000012604842 527224522 /nfs/dbraw/zinc/22/45/22/527224522.db2.gz MMYWPWNOYPPFKE-UHFFFAOYSA-N 0 1 437.308 3.765 50 0 IHAAMN O=C(Cc1ccncc1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012314746 527306222 /nfs/dbraw/zinc/30/62/22/527306222.db2.gz YUTCWKACSZRFLR-HSZRJFAPSA-N 0 1 425.548 3.683 50 0 IHAAMN CC1=C(C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O ZINC000009152294 535223019 /nfs/dbraw/zinc/22/30/19/535223019.db2.gz WTWBJEPDKWVXQR-UHFFFAOYSA-N 0 1 439.600 3.508 50 0 biogenic IHAAMN COc1ccc(CC(=O)Nc2ccc(N3CCN(Cc4cccc(C)c4)CC3)nc2)cc1 ZINC000034667840 555792001 /nfs/dbraw/zinc/79/20/01/555792001.db2.gz JJTVGWGITBSZQO-UHFFFAOYSA-N 0 1 430.552 3.902 50 0 IHAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]c2=O)cc1 ZINC000002699247 555799930 /nfs/dbraw/zinc/79/99/30/555799930.db2.gz RLGBVEHSKYRDRR-UHFFFAOYSA-N 0 1 449.941 3.708 50 0 IHAAMN COc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000010556768 555987405 /nfs/dbraw/zinc/98/74/05/555987405.db2.gz CDPMEWPVRYBQBE-MRXNPFEDSA-N 0 1 425.510 3.690 50 0 IHAAMN CCN(CC)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000002709483 556124753 /nfs/dbraw/zinc/12/47/53/556124753.db2.gz ZWBKQFUOCRTDRI-UHFFFAOYSA-N 0 1 439.541 3.684 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)n1 ZINC000008722928 556203712 /nfs/dbraw/zinc/20/37/12/556203712.db2.gz UMSVRYJXHODLBM-UHFFFAOYSA-N 0 1 440.525 3.934 50 0 IHAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3I)[nH]c2c1 ZINC000008758493 556211294 /nfs/dbraw/zinc/21/12/94/556211294.db2.gz QRVHWKVMCRQQKO-UHFFFAOYSA-N 0 1 439.278 3.907 50 0 IHAAMN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OC)cc1 ZINC000009374590 556286824 /nfs/dbraw/zinc/28/68/24/556286824.db2.gz UXDQAJFPWHPTSW-JOCHJYFZSA-N 0 1 432.480 3.739 50 0 IHAAMN COc1ccc2nc(SCC(=O)Nc3ccc(I)cc3)[nH]c2c1 ZINC000013839543 556317447 /nfs/dbraw/zinc/31/74/47/556317447.db2.gz QPIUIWANJYFCQX-UHFFFAOYSA-N 0 1 439.278 3.907 50 0 IHAAMN CSc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc1 ZINC000011788418 556354441 /nfs/dbraw/zinc/35/44/41/556354441.db2.gz HQGMUFAGGKYPMN-UHFFFAOYSA-N 0 1 449.624 3.648 50 0 IHAAMN Cc1cc(C)nc(-c2cccc3c2O[C@H](CNC(=O)CCc2nc4ccc(F)cc4[nH]2)C3)n1 ZINC000011964586 556381455 /nfs/dbraw/zinc/38/14/55/556381455.db2.gz XTUDDPBBCOUJSQ-SFHVURJKSA-N 0 1 445.498 3.828 50 0 IHAAMN COCCCN1C(=O)c2cccc(N3CCN(Cc4ccc(C(C)C)cc4)CC3)c2C1=O ZINC000011965245 556381926 /nfs/dbraw/zinc/38/19/26/556381926.db2.gz VJIZFGVIBDSFIK-UHFFFAOYSA-N 0 1 435.568 3.765 50 0 IHAAMN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012075234 556397134 /nfs/dbraw/zinc/39/71/34/556397134.db2.gz WSRFZMXQBKCPKA-HSZRJFAPSA-N 0 1 440.569 3.947 50 0 IHAAMN O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4)N4CCCCC4)c3=O)c2N1 ZINC000032624519 556411515 /nfs/dbraw/zinc/41/15/15/556411515.db2.gz VCBATQVTWJOUOS-HNNXBMFYSA-N 0 1 426.567 3.729 50 0 IHAAMN C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665578 556417085 /nfs/dbraw/zinc/41/70/85/556417085.db2.gz MNTNQUDCFHNEAB-PMACEKPBSA-N 0 1 448.567 3.985 50 0 IHAAMN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@@H]1CCCO1 ZINC000014879160 556452502 /nfs/dbraw/zinc/45/25/02/556452502.db2.gz MZBDLDWGPWRXOH-MOPGFXCFSA-N 0 1 426.479 3.514 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000013098219 556459182 /nfs/dbraw/zinc/45/91/82/556459182.db2.gz LKNPHDZYXNCTBX-SJPCQFCGSA-N 0 1 442.537 3.830 50 0 IHAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(SC)c2)CC1 ZINC000014948114 556459949 /nfs/dbraw/zinc/45/99/49/556459949.db2.gz YBCLQNYVLPKQAB-UHFFFAOYSA-N 0 1 444.597 3.837 50 0 IHAAMN C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000015151094 556506492 /nfs/dbraw/zinc/50/64/92/556506492.db2.gz SINFFPJLLNCYFK-SNVBAGLBSA-N 0 1 431.297 3.549 50 0 IHAAMN O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN12 ZINC000013556416 556516437 /nfs/dbraw/zinc/51/64/37/556516437.db2.gz XCJDYDWRJGYROE-MANSERQUSA-N 0 1 447.293 3.968 50 0 IHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCO2 ZINC000013655692 556545973 /nfs/dbraw/zinc/54/59/73/556545973.db2.gz HGBKJDPVASXOLU-UHFFFAOYSA-N 0 1 431.400 3.912 50 0 biogenic IHAAMN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(C2(C(=O)NCC(C)C)CC2)cc1 ZINC000033274793 556559221 /nfs/dbraw/zinc/55/92/21/556559221.db2.gz UJMZPKNMGZSILD-UHFFFAOYSA-N 0 1 443.569 3.558 50 0 IHAAMN CC(=O)NCCCCCC(=O)O[C@H]1CCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1 ZINC000072310696 556576741 /nfs/dbraw/zinc/57/67/41/556576741.db2.gz ANRZWFBCFHVQGE-YADHBBJMSA-N 0 1 435.996 3.623 50 0 IHAAMN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000032986393 556605787 /nfs/dbraw/zinc/60/57/87/556605787.db2.gz IGSHQESBBUHXRH-GOSISDBHSA-N 0 1 428.945 3.873 50 0 IHAAMN C[C@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000032916438 556615248 /nfs/dbraw/zinc/61/52/48/556615248.db2.gz BZLXSZHACGLEBH-QGZVFWFLSA-N 0 1 441.519 3.585 50 0 IHAAMN COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1nc2ccc(F)cc2s1)C(F)(F)F ZINC000017028348 556653573 /nfs/dbraw/zinc/65/35/73/556653573.db2.gz TYLDHSYLWFPOCY-SFHVURJKSA-N 0 1 441.406 3.638 50 0 IHAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000248106369 556662995 /nfs/dbraw/zinc/66/29/95/556662995.db2.gz QYKQPLCFEQLYNZ-AUSIDOKSSA-N 0 1 439.625 3.719 50 0 IHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000137713122 556697952 /nfs/dbraw/zinc/69/79/52/556697952.db2.gz JHOANXJVAKMHAI-YTFSRNRJSA-N 0 1 430.460 3.755 50 0 IHAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000137713122 556697955 /nfs/dbraw/zinc/69/79/55/556697955.db2.gz JHOANXJVAKMHAI-YTFSRNRJSA-N 0 1 430.460 3.755 50 0 IHAAMN O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000061720361 556727753 /nfs/dbraw/zinc/72/77/53/556727753.db2.gz LMSADXPYCMBFDR-UHFFFAOYSA-N 0 1 443.223 3.893 50 0 IHAAMN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000143606660 556739995 /nfs/dbraw/zinc/73/99/95/556739995.db2.gz BXPASGIBSLOURW-YTFSRNRJSA-N 0 1 430.460 3.755 50 0 IHAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)CC1 ZINC000055326498 556740126 /nfs/dbraw/zinc/74/01/26/556740126.db2.gz XVGVGMUEZNBOEH-QHCPKHFHSA-N 0 1 429.568 3.812 50 0 IHAAMN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(Cc4ccccc4)CC3)c2C1=O ZINC000064053614 556822499 /nfs/dbraw/zinc/82/24/99/556822499.db2.gz UINPDVMPIHIRPC-QGZVFWFLSA-N 0 1 432.549 3.823 50 0 IHAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCCCC2)n1 ZINC000065364173 556835461 /nfs/dbraw/zinc/83/54/61/556835461.db2.gz BBZHDLACNDNBFL-UHFFFAOYSA-N 0 1 432.931 3.922 50 0 IHAAMN COc1cc(CN(Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc(OC)c1OC ZINC000033068992 556839062 /nfs/dbraw/zinc/83/90/62/556839062.db2.gz AXUAPFRDBGWMQQ-UHFFFAOYSA-N 0 1 431.558 3.748 50 0 IHAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc4nonc4c3)CC2)c1 ZINC000067459559 556842853 /nfs/dbraw/zinc/84/28/53/556842853.db2.gz ANAWEESJZFBGPN-UHFFFAOYSA-N 0 1 436.512 3.511 50 0 IHAAMN CSc1cccc(NC(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 ZINC000067630226 556845074 /nfs/dbraw/zinc/84/50/74/556845074.db2.gz CRQUDSYMKISPHH-UHFFFAOYSA-N 0 1 426.590 3.851 50 0 IHAAMN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCN3CCc4ccccc4C3)C2)s1 ZINC000033078380 556853225 /nfs/dbraw/zinc/85/32/25/556853225.db2.gz FJERIZJJNHEEIR-FQEVSTJZSA-N 0 1 449.624 3.645 50 0 IHAAMN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1 ZINC000033087468 556857655 /nfs/dbraw/zinc/85/76/55/556857655.db2.gz UIPUGXBVEBILIK-UHFFFAOYSA-N 0 1 428.449 3.759 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000072436979 556972760 /nfs/dbraw/zinc/97/27/60/556972760.db2.gz DBFMJPUQHRYZPY-UHFFFAOYSA-N 0 1 432.931 3.922 50 0 IHAAMN O=C(CCc1nc(CSc2nc(-c3cccc(F)c3)n[nH]2)no1)Nc1ccccc1F ZINC000033270953 557048162 /nfs/dbraw/zinc/04/81/62/557048162.db2.gz BOLAIPJXYGIAAM-UHFFFAOYSA-N 0 1 442.451 3.997 50 0 IHAAMN COCCC[N@@H+]1CCc2nc(SCc3nc(-c4ccccc4)oc3C)[n-]c(=O)c2C1 ZINC000033287172 557064418 /nfs/dbraw/zinc/06/44/18/557064418.db2.gz NNWJMJKYFRHUOB-UHFFFAOYSA-N 0 1 426.542 3.833 50 0 IHAAMN COCCC[N@H+]1CCc2nc(SCc3nc(-c4ccccc4)oc3C)[n-]c(=O)c2C1 ZINC000033287172 557064421 /nfs/dbraw/zinc/06/44/21/557064421.db2.gz NNWJMJKYFRHUOB-UHFFFAOYSA-N 0 1 426.542 3.833 50 0 IHAAMN CCOc1cccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)n2)c1 ZINC000033292210 557070107 /nfs/dbraw/zinc/07/01/07/557070107.db2.gz XLKFDWLNVHKOCM-UHFFFAOYSA-N 0 1 446.492 3.850 50 0 IHAAMN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 ZINC000023370977 557088416 /nfs/dbraw/zinc/08/84/16/557088416.db2.gz GCVHEIJXMXZNSV-UHFFFAOYSA-N 0 1 440.525 3.649 50 0 IHAAMN O=C(CCN1C(=O)COc2ccccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023389040 557090243 /nfs/dbraw/zinc/09/02/43/557090243.db2.gz XGPVLFFSVRKXOA-VWLOTQADSA-N 0 1 426.476 3.584 50 0 IHAAMN O=C(Cc1cccs1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000049406796 557102113 /nfs/dbraw/zinc/10/21/13/557102113.db2.gz WMKMRUGQPDOXNQ-UHFFFAOYSA-N 0 1 428.945 3.755 50 0 IHAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COCCOc2ccc(Cl)cc2)CC1 ZINC000023211999 557106337 /nfs/dbraw/zinc/10/63/37/557106337.db2.gz YMCXTFCIPQSLLW-FQEVSTJZSA-N 0 1 439.383 3.880 50 0 IHAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011363234 557113607 /nfs/dbraw/zinc/11/36/07/557113607.db2.gz QCKOXBLLDGQKMM-UHFFFAOYSA-N 0 1 434.477 3.933 50 0 IHAAMN O=C(Nc1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000024755905 557134357 /nfs/dbraw/zinc/13/43/57/557134357.db2.gz JSUHYCDMMTYNRL-UHFFFAOYSA-N 0 1 438.436 3.985 50 0 IHAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017969870 557134482 /nfs/dbraw/zinc/13/44/82/557134482.db2.gz UELMKLYKBHWQJF-ZRBLBEILSA-N 0 1 430.460 3.760 50 0 IHAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024759211 557135266 /nfs/dbraw/zinc/13/52/66/557135266.db2.gz MWHIVCMGHDZGND-JOCHJYFZSA-N 0 1 443.503 3.643 50 0 IHAAMN OCCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000024102740 557137501 /nfs/dbraw/zinc/13/75/01/557137501.db2.gz KKAFGCNZPSWJJX-UHFFFAOYSA-N 0 1 433.943 3.855 50 0 IHAAMN COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)cc1 ZINC000011422682 557145996 /nfs/dbraw/zinc/14/59/96/557145996.db2.gz IKZJVAFGUUCZJI-UHFFFAOYSA-N 0 1 445.585 3.535 50 0 IHAAMN O=C(COc1cccc(N2CCCC2=O)c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025145987 557196452 /nfs/dbraw/zinc/19/64/52/557196452.db2.gz CPKMUTRQOQLNPX-AREMUKBSSA-N 0 1 440.503 3.974 50 0 IHAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185125 557199339 /nfs/dbraw/zinc/19/93/39/557199339.db2.gz FWMBGTDTZQRUNY-DYESRHJHSA-N 0 1 446.290 3.864 50 0 IHAAMN COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604418780 557250868 /nfs/dbraw/zinc/25/08/68/557250868.db2.gz CNGKYJYDNOYPIF-IBGZPJMESA-N 0 1 447.491 3.783 50 0 IHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 ZINC000027664164 557270235 /nfs/dbraw/zinc/27/02/35/557270235.db2.gz MBNYXWWYELYPEF-DEOSSOPVSA-N 0 1 441.443 3.962 50 0 IHAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21 ZINC000101807788 557299258 /nfs/dbraw/zinc/29/92/58/557299258.db2.gz OBUYDIXKFNSQRN-MSQSPTIYSA-N 0 1 444.318 3.574 50 0 IHAAMN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000102288362 557317451 /nfs/dbraw/zinc/31/74/51/557317451.db2.gz GLOIPCDJICTQRU-CALCHBBNSA-N 0 1 447.944 3.519 50 0 IHAAMN CCOc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)cc2C)cc1 ZINC000051316440 557464356 /nfs/dbraw/zinc/46/43/56/557464356.db2.gz VCRKQMZHVHQWLP-UHFFFAOYSA-N 0 1 449.536 3.855 50 0 IHAAMN Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1C ZINC000001786422 562924638 /nfs/dbraw/zinc/92/46/38/562924638.db2.gz JVUDUKQZHQJVMH-UHFFFAOYSA-N 0 1 440.525 3.692 50 0 IHAAMN Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011666598 562978968 /nfs/dbraw/zinc/97/89/68/562978968.db2.gz LCCCQUBMKYMCSE-GOSISDBHSA-N 0 1 447.583 3.966 50 0 IHAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985089 568623628 /nfs/dbraw/zinc/62/36/28/568623628.db2.gz HCDJKGOWGZPUDZ-FGZHOGPDSA-N 0 1 446.494 3.664 50 0 IHAAMN Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c1C ZINC000015483815 568788721 /nfs/dbraw/zinc/78/87/21/568788721.db2.gz SSVWZDWHLHZERJ-UHFFFAOYSA-N 0 1 447.576 3.863 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccc3)nc(C)n2)CC1 ZINC000090607873 568890375 /nfs/dbraw/zinc/89/03/75/568890375.db2.gz XMDHNJUGEIHJAC-UHFFFAOYSA-N 0 1 426.908 3.592 50 0 IHAAMN COc1cccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000089469966 568926563 /nfs/dbraw/zinc/92/65/63/568926563.db2.gz DGGOLUQNDAJPDG-UHFFFAOYSA-N 0 1 426.494 3.686 50 0 IHAAMN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557864 568932144 /nfs/dbraw/zinc/93/21/44/568932144.db2.gz OAYYWQHJBWSTGS-FQEVSTJZSA-N 0 1 449.484 3.805 50 0 IHAAMN Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCCO4)cc1C ZINC000036102764 568952689 /nfs/dbraw/zinc/95/26/89/568952689.db2.gz ZFFQDNPWTNOFIQ-UHFFFAOYSA-N 0 1 445.519 3.556 50 0 IHAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146401 568962745 /nfs/dbraw/zinc/96/27/45/568962745.db2.gz JQEZIMAUEPLQFF-GOTSBHOMSA-N 0 1 432.511 3.994 50 0 IHAAMN CCc1nc(C)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1cccc(C)c1 ZINC000036340671 569078974 /nfs/dbraw/zinc/07/89/74/569078974.db2.gz DIURFOHAYJEJSD-RUZDIDTESA-N 0 1 444.623 3.972 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341172 569079187 /nfs/dbraw/zinc/07/91/87/569079187.db2.gz VJIZMASMJIPKMT-QHCPKHFHSA-N 0 1 440.975 3.664 50 0 IHAAMN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000036343948 569079900 /nfs/dbraw/zinc/07/99/00/569079900.db2.gz BEDACNHHXMJMRN-DEOSSOPVSA-N 0 1 438.547 3.540 50 0 IHAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)C1 ZINC000036370445 569088727 /nfs/dbraw/zinc/08/87/27/569088727.db2.gz WRSLWJOBTJUQPZ-PKOBYXMFSA-N 0 1 442.585 3.986 50 0 IHAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137391 569110401 /nfs/dbraw/zinc/11/04/01/569110401.db2.gz IBGSONKYRAXVMK-UHFFFAOYSA-N 0 1 448.545 3.633 50 0 IHAAMN O=C(NCc1ccco1)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265713 569127140 /nfs/dbraw/zinc/12/71/40/569127140.db2.gz MOVPPAZDZPWBLW-XMMPIXPASA-N 0 1 430.512 3.664 50 0 biogenic IHAAMN CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)N2CCN(C4CCCC4)CC2)C3)CC1 ZINC000065272648 569129106 /nfs/dbraw/zinc/12/91/06/569129106.db2.gz YOKLUUMLGAOWQK-IBGZPJMESA-N 0 1 443.657 3.812 50 0 IHAAMN O=C(NCc1n[nH]c(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000065589248 569139970 /nfs/dbraw/zinc/13/99/70/569139970.db2.gz QLRVZFFGLVRVKV-UHFFFAOYSA-N 0 1 425.514 3.510 50 0 IHAAMN O=C(NCc1nc(-c2ccccc2)n[nH]1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000065589248 569139971 /nfs/dbraw/zinc/13/99/71/569139971.db2.gz QLRVZFFGLVRVKV-UHFFFAOYSA-N 0 1 425.514 3.510 50 0 IHAAMN COc1cccc(-n2c3nc(SCC(=O)NC4CCCC4)[nH]c(=O)c3sc2=S)c1 ZINC000016840424 569163148 /nfs/dbraw/zinc/16/31/48/569163148.db2.gz WIFKJNOBNOKCJH-UHFFFAOYSA-N 0 1 448.595 3.664 50 0 IHAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[N@@H+](Cc1ccco1)C1CCCC1)c2=O ZINC000016942376 569166837 /nfs/dbraw/zinc/16/68/37/569166837.db2.gz LNJRMDYAEXXLFW-UHFFFAOYSA-N 0 1 427.526 3.510 50 0 IHAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002119413 569182856 /nfs/dbraw/zinc/18/28/56/569182856.db2.gz HXHILYRRLVJUGI-AVWDQLLDSA-N 0 1 445.003 3.747 50 0 biogenic IHAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCCN21 ZINC000253389815 569264246 /nfs/dbraw/zinc/26/42/46/569264246.db2.gz LKCKDRMAWUHSIF-GRSOWLQASA-N 0 1 437.499 3.579 50 0 IHAAMN COc1ccc([C@H](CC(=O)NCCc2ccc(F)cc2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470800 569282452 /nfs/dbraw/zinc/28/24/52/569282452.db2.gz FFZVLKHBNLCLGY-FQEVSTJZSA-N 0 1 425.456 3.682 50 0 IHAAMN Cc1ccc(S(=O)(=O)[N-]C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019834651 569330260 /nfs/dbraw/zinc/33/02/60/569330260.db2.gz VSSZMIJJJHZQHJ-UHFFFAOYSA-N 0 1 449.576 3.801 50 0 IHAAMN CCOC(CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1)OCC ZINC000020240915 569357714 /nfs/dbraw/zinc/35/77/14/569357714.db2.gz CJLMRLFZQZRZQE-OAQYLSRUSA-N 0 1 443.588 3.940 50 0 IHAAMN CCOc1cc(CN(C)CCNC(=O)N(C)C)ccc1OCCOc1cccc(C)c1 ZINC000095467772 569371206 /nfs/dbraw/zinc/37/12/06/569371206.db2.gz SDKITFVMKHSFAK-UHFFFAOYSA-N 0 1 429.561 3.555 50 0 IHAAMN COc1ccc(NC2CN(C(c3ccccc3)c3ccccc3)C2)cc1NS(C)(=O)=O ZINC000096013610 569380360 /nfs/dbraw/zinc/38/03/60/569380360.db2.gz YDGQYCNTEAQYOO-UHFFFAOYSA-N 0 1 437.565 3.952 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000096324639 569396025 /nfs/dbraw/zinc/39/60/25/569396025.db2.gz OUJIZPNUWHJCKV-OAHLLOKOSA-N 0 1 439.903 3.625 50 0 IHAAMN COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002621540 569411102 /nfs/dbraw/zinc/41/11/02/569411102.db2.gz ZDSZHRQZXMIIMK-UHFFFAOYSA-N 0 1 435.864 3.936 50 0 IHAAMN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000057318530 569430979 /nfs/dbraw/zinc/43/09/79/569430979.db2.gz RZCOPSBXTHAIDJ-SFHVURJKSA-N 0 1 445.585 3.549 50 0 IHAAMN Cc1ccc([C@@H](NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000057380643 569432602 /nfs/dbraw/zinc/43/26/02/569432602.db2.gz WCROMFFJWBYATL-DEOSSOPVSA-N 0 1 431.492 3.794 50 0 IHAAMN CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000003031968 569437772 /nfs/dbraw/zinc/43/77/72/569437772.db2.gz WEBFOPHJLJGZAX-CYBMUJFWSA-N 0 1 447.944 3.535 50 0 IHAAMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000030031097 569440543 /nfs/dbraw/zinc/44/05/43/569440543.db2.gz JAZQIYUHSSOXAY-UHFFFAOYSA-N 0 1 429.883 3.842 50 0 IHAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000032103143 569460200 /nfs/dbraw/zinc/46/02/00/569460200.db2.gz YDFXSCCQVKGTOK-GOSISDBHSA-N 0 1 434.359 3.935 50 0 IHAAMN Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1C ZINC000059415110 569461311 /nfs/dbraw/zinc/46/13/11/569461311.db2.gz ZZSQDHGSNRGFRY-HPLYJOIUSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[n-]c(=O)c2C1 ZINC000067291911 569467709 /nfs/dbraw/zinc/46/77/09/569467709.db2.gz WPBZNKDTMZCVKC-UHFFFAOYSA-N 0 1 426.464 3.700 50 0 IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 ZINC000008840911 569478392 /nfs/dbraw/zinc/47/83/92/569478392.db2.gz BNGNTOOUBPIAPW-UHFFFAOYSA-N 0 1 432.542 3.830 50 0 IHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008845451 569478835 /nfs/dbraw/zinc/47/88/35/569478835.db2.gz VZTWLHWQDFFNOC-QHCPKHFHSA-N 0 1 437.496 3.771 50 0 IHAAMN COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000008845399 569478839 /nfs/dbraw/zinc/47/88/39/569478839.db2.gz XYJYNKAXPJDLSJ-OAQYLSRUSA-N 0 1 443.887 3.650 50 0 IHAAMN CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000039563938 569481775 /nfs/dbraw/zinc/48/17/75/569481775.db2.gz GRPSIRQBMUYFPE-UHFFFAOYSA-N 0 1 429.586 3.680 50 0 IHAAMN CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000039563938 569481776 /nfs/dbraw/zinc/48/17/76/569481776.db2.gz GRPSIRQBMUYFPE-UHFFFAOYSA-N 0 1 429.586 3.680 50 0 IHAAMN CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000039563938 569481777 /nfs/dbraw/zinc/48/17/77/569481777.db2.gz GRPSIRQBMUYFPE-UHFFFAOYSA-N 0 1 429.586 3.680 50 0 IHAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Br)cc1 ZINC000040268609 569497542 /nfs/dbraw/zinc/49/75/42/569497542.db2.gz ATGWAHWFXGRSNS-IBGZPJMESA-N 0 1 449.349 3.563 50 0 IHAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1 ZINC000009120752 569503946 /nfs/dbraw/zinc/50/39/46/569503946.db2.gz GSDOUFDJAJYEFG-UHFFFAOYSA-N 0 1 444.484 3.961 50 0 IHAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)ccc1O ZINC000009408918 569530757 /nfs/dbraw/zinc/53/07/57/569530757.db2.gz ZIMZOJXVKKUDFO-WNSKOXEYSA-N 0 1 435.480 3.611 50 0 IHAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000009778816 569567313 /nfs/dbraw/zinc/56/73/13/569567313.db2.gz OYHOSWFJEZDWDS-FCHUYYIVSA-N 0 1 430.435 3.895 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c(OC)c1 ZINC000009827906 569569727 /nfs/dbraw/zinc/56/97/27/569569727.db2.gz ZWXAFDYSLRDNCL-UHFFFAOYSA-N 0 1 426.450 3.863 50 0 IHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c1 ZINC000009827892 569569746 /nfs/dbraw/zinc/56/97/46/569569746.db2.gz VSBDRNXQUXBKES-UHFFFAOYSA-N 0 1 426.450 3.863 50 0 IHAAMN COc1ccccc1C(=O)NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000009963362 569575735 /nfs/dbraw/zinc/57/57/35/569575735.db2.gz VORMTMTYSZURNS-UHFFFAOYSA-N 0 1 437.423 3.527 50 0 IHAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000009907997 132331586 /nfs/dbraw/zinc/33/15/86/132331586.db2.gz WUKFRIWFWOAMLM-UHFFFAOYSA-N 0 1 445.947 3.594 50 0 IHAAMN CCCCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCCCC2)cc1 ZINC000035421512 520862421 /nfs/dbraw/zinc/86/24/21/520862421.db2.gz CONMVCZDBSGHNH-UHFFFAOYSA-N 0 1 429.605 3.852 50 0 IHAAMN CCN1CCN([C@@H](c2c(C)c(C)sc2NC(C)=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021670002 521693435 /nfs/dbraw/zinc/69/34/35/521693435.db2.gz WJTKHOYLVOJQGA-OAQYLSRUSA-N 0 1 429.586 3.837 50 0 IHAAMN CN(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 ZINC000012911332 522024395 /nfs/dbraw/zinc/02/43/95/522024395.db2.gz QBTDOTAQCIAHRN-QHCPKHFHSA-N 0 1 445.494 3.655 50 0 IHAAMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000012771972 523768847 /nfs/dbraw/zinc/76/88/47/523768847.db2.gz VVMDRRHUSXVPQJ-UHFFFAOYSA-N 0 1 447.782 3.981 50 0 IHAAMN CN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000012641774 523925596 /nfs/dbraw/zinc/92/55/96/523925596.db2.gz VAONEKWSMXRJJB-UHFFFAOYSA-N 0 1 440.975 3.583 50 0 IHAAMN CN1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930055 523928738 /nfs/dbraw/zinc/92/87/38/523928738.db2.gz DUJUBFJKPOQKQK-UHFFFAOYSA-N 0 1 437.910 3.609 50 0 IHAAMN CN(C)CC(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012132763 524041881 /nfs/dbraw/zinc/04/18/81/524041881.db2.gz CZNKRRLRYWMEKT-MIFWMJNYSA-N 0 1 433.596 3.570 50 0 IHAAMN COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)N1CCCC1 ZINC000012796108 524733856 /nfs/dbraw/zinc/73/38/56/524733856.db2.gz AUKKKEDYFKMIKM-VWNXMTODSA-N 0 1 437.584 3.711 50 0 IHAAMN COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C)N1CCCC1 ZINC000012791922 524734519 /nfs/dbraw/zinc/73/45/19/524734519.db2.gz FTDLFNIQEUXUTD-FYYLOGMGSA-N 0 1 441.547 3.542 50 0 IHAAMN COc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(F)c3C)c2)cc1OC ZINC000021931862 525090201 /nfs/dbraw/zinc/09/02/01/525090201.db2.gz LNTWNAOPMLFDAH-UHFFFAOYSA-N 0 1 445.472 3.599 50 0 IHAAMN Cc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012244254 525583191 /nfs/dbraw/zinc/58/31/91/525583191.db2.gz MTLSXZSDOXZNDG-UHFFFAOYSA-N 0 1 436.585 3.708 50 0 IHAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000012536225 525594626 /nfs/dbraw/zinc/59/46/26/525594626.db2.gz ARFSMKOOTFFJRK-UHFFFAOYSA-N 0 1 427.492 3.875 50 0 IHAAMN Cc1ccnc(N2CCC[C@H](C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)n1 ZINC000035454386 525666771 /nfs/dbraw/zinc/66/67/71/525666771.db2.gz FLBLKYDYQNHXHW-NRFANRHFSA-N 0 1 442.007 3.683 50 0 IHAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 ZINC000021786042 525698456 /nfs/dbraw/zinc/69/84/56/525698456.db2.gz LEMDZRARIRUROS-UHFFFAOYSA-N 0 1 441.494 3.555 50 0 IHAAMN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(C[NH+]4CCCC4)c3)ccc2S1 ZINC000020977382 526217304 /nfs/dbraw/zinc/21/73/04/526217304.db2.gz ZPFGGTHGHBTAIL-OAHLLOKOSA-N 0 1 431.583 3.906 50 0 IHAAMN O=C(CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1)NCCCc1ccccc1 ZINC000020940039 526393851 /nfs/dbraw/zinc/39/38/51/526393851.db2.gz XROVLVWAYHJWCU-UHFFFAOYSA-N 0 1 439.459 3.557 50 0 IHAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CCCO ZINC000012315056 526708167 /nfs/dbraw/zinc/70/81/67/526708167.db2.gz AZQXOVZIGGRBDL-QHCPKHFHSA-N 0 1 437.584 3.892 50 0 IHAAMN CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000001017207 555602860 /nfs/dbraw/zinc/60/28/60/555602860.db2.gz AAAQITMOTRAMTE-UHFFFAOYSA-N 0 1 426.498 3.545 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)n1 ZINC000001125265 555640238 /nfs/dbraw/zinc/64/02/38/555640238.db2.gz NATWDGHCOAXBLN-UHFFFAOYSA-N 0 1 440.525 3.529 50 0 IHAAMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000001146962 555654108 /nfs/dbraw/zinc/65/41/08/555654108.db2.gz JMSNQKGRGDPITO-VGOFMYFVSA-N 0 1 437.677 3.870 50 0 IHAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 ZINC000008442293 556177370 /nfs/dbraw/zinc/17/73/70/556177370.db2.gz HESKGXGVAYFBGP-UHFFFAOYSA-N 0 1 430.917 3.729 50 0 IHAAMN Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc(Br)s3)n2)cc1 ZINC000008994312 556239172 /nfs/dbraw/zinc/23/91/72/556239172.db2.gz DCYZLTSBWTZACF-ONEGZZNKSA-N 0 1 437.344 3.854 50 0 IHAAMN COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 ZINC000009287898 556272459 /nfs/dbraw/zinc/27/24/59/556272459.db2.gz MCAGIJSYMKBQQQ-HSZRJFAPSA-N 0 1 436.552 3.989 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)CC1C(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013720643 556289707 /nfs/dbraw/zinc/28/97/07/556289707.db2.gz MTNJPPXZLVWLOU-HNNXBMFYSA-N 0 1 443.916 3.754 50 0 IHAAMN COc1ccc(Cl)cc1NC(=O)CC1C(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013720640 556289767 /nfs/dbraw/zinc/28/97/67/556289767.db2.gz MTNJPPXZLVWLOU-OAHLLOKOSA-N 0 1 443.916 3.754 50 0 IHAAMN O=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000022920404 556340231 /nfs/dbraw/zinc/34/02/31/556340231.db2.gz XOFZUTNEDQBOSF-RUZDIDTESA-N 0 1 435.593 3.524 50 0 IHAAMN C[C@H](NC(=O)C1CC1)c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000011881589 556373294 /nfs/dbraw/zinc/37/32/94/556373294.db2.gz QHFDSGIEBYSPAJ-SFHVURJKSA-N 0 1 431.540 3.716 50 0 IHAAMN Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 ZINC000032800711 556375551 /nfs/dbraw/zinc/37/55/51/556375551.db2.gz YDLSGYBOCICRAU-SFHVURJKSA-N 0 1 433.552 3.976 50 0 IHAAMN C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 ZINC000014169650 556380890 /nfs/dbraw/zinc/38/08/90/556380890.db2.gz ITVOIDOZPHEATJ-MRXNPFEDSA-N 0 1 429.567 3.863 50 0 IHAAMN COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000011998456 556384871 /nfs/dbraw/zinc/38/48/71/556384871.db2.gz AASLYRJOZJNEEV-FQEVSTJZSA-N 0 1 440.563 3.570 50 0 IHAAMN O=C(CCN1CCN(Cc2cccs2)CC1)Nc1ccc(Br)cc1F ZINC000022932094 556404498 /nfs/dbraw/zinc/40/44/98/556404498.db2.gz SPWTWAOFXWCHAZ-UHFFFAOYSA-N 0 1 426.355 3.796 50 0 IHAAMN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000004409771 556435852 /nfs/dbraw/zinc/43/58/52/556435852.db2.gz DMQYAEWXDYMUSW-UHFFFAOYSA-N 0 1 426.557 3.973 50 0 IHAAMN O=C1N(Cc2ccccn2)C(=O)C2(CCN(Cc3ccco3)CC2)N1Cc1ccccc1 ZINC000014743046 556439717 /nfs/dbraw/zinc/43/97/17/556439717.db2.gz UKQWFPPEGDMABI-UHFFFAOYSA-N 0 1 430.508 3.674 50 0 IHAAMN CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000014955992 556462312 /nfs/dbraw/zinc/46/23/12/556462312.db2.gz HJTGZCWNFPXRLC-UHFFFAOYSA-N 0 1 444.457 3.919 50 0 IHAAMN O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NC1c2ccccc2-c2ccccc21 ZINC000029116219 556467787 /nfs/dbraw/zinc/46/77/87/556467787.db2.gz IERORDVYHDGZHB-UHFFFAOYSA-N 0 1 439.559 3.901 50 0 IHAAMN COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)CN2CCCC2)C3)c1 ZINC000014992834 556475801 /nfs/dbraw/zinc/47/58/01/556475801.db2.gz HTOAPJUBPIBNDW-SFHVURJKSA-N 0 1 430.932 3.540 50 0 IHAAMN CCOc1ccccc1CN1CCC(Oc2cc(OC)ccc2C(=O)NCCOC)CC1 ZINC000015064549 556492150 /nfs/dbraw/zinc/49/21/50/556492150.db2.gz KGUGQFUXORDKBQ-UHFFFAOYSA-N 0 1 442.556 3.514 50 0 IHAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1)c1ccccc1F ZINC000032711096 556502811 /nfs/dbraw/zinc/50/28/11/556502811.db2.gz YDCDCPBCQFGBOD-UHFFFAOYSA-N 0 1 426.879 3.904 50 0 IHAAMN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)CC1 ZINC000033274558 556558758 /nfs/dbraw/zinc/55/87/58/556558758.db2.gz VXKLSEGKCDBLER-INIZCTEOSA-N 0 1 443.569 3.701 50 0 IHAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000017012297 556652683 /nfs/dbraw/zinc/65/26/83/556652683.db2.gz ISZCXGQPKGDJGY-UHFFFAOYSA-N 0 1 433.478 3.757 50 0 IHAAMN CCCC(=O)N1CCN(C(=O)[C@@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248107973 556662990 /nfs/dbraw/zinc/66/29/90/556662990.db2.gz RJARQQYINIACDN-NTKDMRAZSA-N 0 1 439.625 3.863 50 0 IHAAMN CCCCCN(Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)C(C)C ZINC000032935419 556678136 /nfs/dbraw/zinc/67/81/36/556678136.db2.gz IIAQLVLXZLCNAU-UHFFFAOYSA-N 0 1 441.619 3.843 50 0 IHAAMN CCCN1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3NC(C)=O)cc2)CC1 ZINC000033037079 556721575 /nfs/dbraw/zinc/72/15/75/556721575.db2.gz TZBDZHBQETWCAE-UHFFFAOYSA-N 0 1 445.567 3.974 50 0 IHAAMN COc1ccccc1CCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055090631 556734381 /nfs/dbraw/zinc/73/43/81/556734381.db2.gz WCRFVOFSIDYQGH-QHCPKHFHSA-N 0 1 425.548 3.580 50 0 IHAAMN COc1ccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(C)c1 ZINC000055107929 556734894 /nfs/dbraw/zinc/73/48/94/556734894.db2.gz WKYYZXWSHNGVED-FQEVSTJZSA-N 0 1 438.572 3.831 50 0 IHAAMN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)CC1 ZINC000055132971 556735637 /nfs/dbraw/zinc/73/56/37/556735637.db2.gz VGQKSMIURLIOEX-JOCHJYFZSA-N 0 1 425.548 3.580 50 0 IHAAMN COc1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019367775 556746258 /nfs/dbraw/zinc/74/62/58/556746258.db2.gz AXCUSJYWTYWUBJ-UHFFFAOYSA-N 0 1 429.564 3.719 50 0 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/nfs/dbraw/zinc/85/16/08/556851608.db2.gz DSTZYFUHQNHZLN-UHFFFAOYSA-N 0 1 443.345 3.867 50 0 IHAAMN CCc1[nH]c(SCC(=O)Nc2ncc(Br)cc2Br)nc1C ZINC000020095076 556979192 /nfs/dbraw/zinc/97/91/92/556979192.db2.gz WHKDHMNLXGFAQW-UHFFFAOYSA-N 0 1 434.157 3.931 50 0 IHAAMN CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CCN(C)CC2)cc1 ZINC000023086432 556997299 /nfs/dbraw/zinc/99/72/99/556997299.db2.gz QJVQNXJBPUUKAH-VWLOTQADSA-N 0 1 449.620 3.969 50 0 IHAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)sc1Cl ZINC000023200047 557073017 /nfs/dbraw/zinc/07/30/17/557073017.db2.gz GGVYJKBQECETGU-UHFFFAOYSA-N 0 1 429.310 3.898 50 0 IHAAMN O=S(=O)(NCCN1CCCCCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307187 557086435 /nfs/dbraw/zinc/08/64/35/557086435.db2.gz ABDVTOVETNURAN-UHFFFAOYSA-N 0 1 444.532 3.697 50 0 IHAAMN Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000033326858 557108700 /nfs/dbraw/zinc/10/87/00/557108700.db2.gz YSAVZQPGCBFFOT-UHFFFAOYSA-N 0 1 428.518 3.534 50 0 IHAAMN 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Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c2)c1 ZINC000084211142 568796218 /nfs/dbraw/zinc/79/62/18/568796218.db2.gz MAIUFDRCDWILQU-HXUWFJFHSA-N 0 1 443.613 3.812 50 0 IHAAMN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015773300 568823055 /nfs/dbraw/zinc/82/30/55/568823055.db2.gz WRENLMIXUDSWPS-QHCPKHFHSA-N 0 1 425.960 3.646 50 0 IHAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000035829432 568927909 /nfs/dbraw/zinc/92/79/09/568927909.db2.gz MRAINYYRIBKLQX-WQRHYEAKSA-N 0 1 442.397 3.998 50 0 IHAAMN COc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000064580442 568934258 /nfs/dbraw/zinc/93/42/58/568934258.db2.gz RRCHTVGCSGHQDW-UHFFFAOYSA-N 0 1 439.537 3.742 50 0 IHAAMN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)NCCN4CCC(C)CC4)c3)n2)cc1 ZINC000064610951 568939958 /nfs/dbraw/zinc/93/99/58/568939958.db2.gz LQLRZMPOUAJWGM-UHFFFAOYSA-N 0 1 440.569 3.722 50 0 IHAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036341371 569079399 /nfs/dbraw/zinc/07/93/99/569079399.db2.gz DCCDMZCMYZZXMX-DEOSSOPVSA-N 0 1 434.584 3.627 50 0 IHAAMN CN(C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1N(C)C2=O)c1ccccc1 ZINC000036353973 569084027 /nfs/dbraw/zinc/08/40/27/569084027.db2.gz ZUMVUJUNFASJBG-BVAGGSTKSA-N 0 1 426.520 3.687 50 0 IHAAMN CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 ZINC000014072508 569157701 /nfs/dbraw/zinc/15/77/01/569157701.db2.gz QNRSVASYNLYNAX-IBGZPJMESA-N 0 1 438.469 3.875 50 0 IHAAMN Cc1nc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)ccc2n1-c1ccccc1 ZINC000014519730 569159230 /nfs/dbraw/zinc/15/92/30/569159230.db2.gz XNUQRVHOVVTBOT-UHFFFAOYSA-N 0 1 426.524 3.733 50 0 IHAAMN Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000252694517 569210883 /nfs/dbraw/zinc/21/08/83/569210883.db2.gz LSGWJALQGUMIRM-YDRLPJHNSA-N 0 1 438.612 3.710 50 0 biogenic IHAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC ZINC000043735307 569257804 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